# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-22T22:27:50+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 27 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
"1000062","4.738","0.0001","4.738","0.0001","3.1865","0.0002","90","","90","","90","","71.5","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","Tin(IV) oxide","Cassiterite","- O2 Sn -","- O2 Sn -","- O4 Sn2 -","2","0.125","","Baur, W H; Khan, A A","Rutile-Type Compounds. VI. Si O2, Ge O2 and a Comparison with other Rutile-Type Structures","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2133","2139","10.1107/S0567740871005466","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000093","3.9041","0.0001","4.0397","0.0001","5.6473","0.0002","90","","90","","90","","89.1","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Samarium fluoride oxide (1/1.6/.7)","","- F1.6 O0.7 Sm -","- F1.6 O0.7 Sm -","- F3.2 O1.4 Sm2 -","2","0.25","","Laval, J P; Abaouz, A; Frit, B; Le Bail, A","Defect structure of the orthorhombic anion-excess fluorite related SmF~1.60~O~0.70~","European Journal of Solid State Inorganic Chemistry","1990","27","","545","555","","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000094","7.13","0.001","4.791","0.001","8.825","0.002","90.16","0.01","102.13","0.01","94.19","0.01","293.9","","","","","","","","","","","","","3","P -1","-P 1","2","","Nickel divanadium oxide","","- Ni O6 V2 -","- Ni O6 V2 -","- Ni3 O18 V6 -","3","1.5","","Le Bail, A; Lafontaine, M A","Structure determination of NiV~2~O~6~ from X-ray powder diffraction : a rutile-ramsdellite intergrowth","European Journal of Solid State Inorganic Chemistry","1990","27","","671","680","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000098","18.303","0.001","5.3122","0.0002","9.42","0.0004","90","","90","","90","","915.9","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Sodium strontium hexafluoroaluminate","","- Al F6 Na Sr -","- Al F6 Na Sr -","- Al8 F48 Na8 Sr8 -","8","2","","Hemon, A; Le Bail, A; Courbion, G","Synthesis and crystal structure of NaSrAlF~6~","European Journal of Solid State Inorganic Chemistry","1990","27","","905","912","","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000112","9.7689","0.0006","2.9212","0.0002","4.6745","0.0004","90","","90","","90","","133.4","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Hydrogen titanium oxide (0.6/0.9/2)","","- H0.572 O2 Ti0.858 -","- H0.5714 O2 Ti0.8571 -","- H2.2856 O8 Ti3.4284 -","4","0.5","","Le Bail, A; Fourquet, J L","Crystal structure and thermal behaviour of H~2~Ti~3~O~7~: a new defective ramsdellite form from Li^+^/H^+^ exchange on Li~2~Ti~3~O~7~","Materials Research Bulletin","1992","27","","75","85","10.1016/0025-5408(92)90045-2","","","","","","0.056","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000287","7.016","0.002","7.84","0.002","11.066","0.002","77.16","0.02","89.95","0.02","72.02","0.02","563","","","","","","","","","","","","","4","P -1","-P 1","2","","Tetracaesium bis(oxoniobium) catena-octasilicate","","- Cs4 Nb2 O23 Si8 -","- Cs4 Nb2 O23 Si8 -","- Cs4 Nb2 O23 Si8 -","1","0.5","","Crosnier, M P; Guyomard, D; Verbaere, A; Piffard, Y","Synthesis and structure of a novel polysilicate Cs~4~(NbO)~2~(Si~8~O~21~)","European Journal of Solid State Inorganic Chemistry","1990","27","","435","442","","","","","","","0.03","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000288","19.706","0.002","5.599","0.001","15.173","0.002","90","","90","","90","","1674.1","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Tribarium aluminium fluoride","","- Al Ba3 F9 -","- Al Ba3 F9 -","- Al8 Ba24 F72 -","8","1","","Renaudin, A; Ferey, G; Kozak, A de; Samouel, M","Polymorphic Ba~3~AlF~9~ : crystal structure of form I","European Journal of Solid State Inorganic Chemistry","1990","27","","571","580","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000297","16.135","0.002","16.135","0.002","16.135","0.002","90","","90","","90","","4200.6","","","","","","","","","","","","","4","I a -3","-I 2b 2c 3","206","","Tetrasodium barium tricopper fluoride","","- Ba Cu3 F12 Na4 -","- Ba Cu3 F12 Na4 -","- Ba16 Cu48 F192 Na64 -","16","0.333333","","de Kozak, A; Samouel, M; Renaudin, J; Ferey, G","Complex copper II fluorides: XII. Crystal structure and ferromagnetic properties of Na~4~BaCu~3~F~12~","European Journal of Solid State Inorganic Chemistry","1990","27","","771","782","","","","","","","0.058","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000298","13.005","0.001","6.4748","0.0006","10.614","0.001","90","","90","","90","","893.7","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","Potassium antimony(V) oxide silicate","","- K O5 Sb Si -","- K O5 Sb Si -","- K8 O40 Sb8 Si8 -","8","2","","Crosnier, M P; Guyomard, D; Verbaere, A; Piffard, Y","KSbOSiO~4~: a new isomorphous derivative of KTiOPO~4~","European Journal of Solid State Inorganic Chemistry","1990","27","","845","854","","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000299","8.6472","0.0002","8.6472","0.0002","8.6472","0.0002","90","","90","","90","","646.6","","","","","","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","Potassium dioxonium hexafluoroaluminate","","- Al F6 H6 K O2 -","- Al F6 H6 K O2 -","- Al4 F24 H24 K4 O8 -","4","0.166667","","Rousseau, J J; Boulard, B; Duroy, H; Fourquet, J L","K(H~3~O)~2~AlF~6~: ESR, infrared and Raman spectroscopy studies","European Journal of Solid State Inorganic Chemistry","1990","27","","913","924","","","","","","","0.019","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1001198","15.966","","15.966","","10.099","","90","","90","","90","","2574.4","","","","","","","","","","","","","3","I -4","I -4","82","","RUBIDIUM TUNGSTEN OXIDE (21.8/32.7/108)","","- O108 Rb21.79 W32.74 -","- O108 Rb21.788 W32.736 -","- O108 Rb21.788 W32.736 -","1","0.125","","Goreaud, M; Desgardin, G; Raveau, B","Le tungstate de rubidium Rb~20+x~ (W~4~ O~6~)~1/3-x/12~ W~32~ O~108~ : pyrochlore a reseau hote deficitaire","Journal of Solid State Chemistry","1979","27","","145","151","10.1016/0022-4596(79)90153-1","","","","","","0.075","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001461","13.352","0.001","14.76","0.001","6.457","0.007","90","","90","","90","","1272.5","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Rubidium niobium oxide phosphate (1/3/3/3)","","- Nb3 O15 P3 Rb -","- Nb3 O15 P3 Rb -","- Nb12 O60 P12 Rb4 -","4","0.5","","Borel, M M; Benabbas, A; Rebbah, H; Grandin, A; Leclaire, A; Raveau, B","A large family of niobium phosphate bronzes and bronzoids with KNb~3~P~3~O~15~ structure","European Journal of Solid State Inorganic Chemistry","1990","27","","525","535","","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001549","3.8688","0.0002","3.8688","0.0002","7.5726","0.0006","90","","90","","90","","113.3","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","Yttrium barium cobalt copper oxide (1/1/1/1/4.96)","","- Ba Co Cu O4.96 Y -","- Ba Co Cu O4.96 Y -","- Ba Co Cu O4.96 Y -","1","0.0625","","Barbey, L; Nguyen, N; Caignaert, V; Hervieu, M; Raveau, B","Mixed oxides of cobalt and copper with a double pyramidal layer structure","Materials Research Bulletin","1992","27","","295","301","10.1016/0025-5408(92)90058-8","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001771","8.82","","12.992","","7.161","","90","","116.4","","90","","735","","","","","","","","","","","","sanidine - artificial from gel at 873 K, 1 kbar, for 7 d","4","C 1 2/m 1","-C 2y","12","Rubidium feldspar","Rubidium tecto-alumotrisilicate","","- Al O8 Rb Si3 -","- Al O8 Rb Si3 -","- Al4 O32 Rb4 Si12 -","4","0.5","","Gasperin, M","Structure cristalline de Rb Al Si3 O8","Acta Crystallographica B (24,1968-38,1982)","1971","27","","854","855","10.1107/S0567740871003078","","","","","","0.07","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004091","19.86","0.01","5.353","0.006","13.96","0.03","90","","110.64","0.07","90","","1388.8","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Trisodium bismuth bis(phosphate) - $-alpha","","- Bi Na3 O8 P2 -","- Bi Na3 O8 P2 -","- Bi8 Na24 O64 P16 -","8","2","","Mairesse, G; Drache, M; Nowogrocki, G; Abraham, F","Order-disorder transition in Na~3~Bi(PO~4~)~2~","Phase Transition","1990","27","","91","105","10.1080/01411599008206903","","","","","","0.069","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1004092","18.71","0.03","7.18","0.02","5.429","0.007","90","","90","7","90","","729.3","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Trisodium bismuth bis(phosphate) - $-beta","","- Bi Na3 O8 P2 -","- Bi Na3 O8 P2 -","- Bi4 Na12 O32 P8 -","4","0.5","","Mairesse, G; Drache, M; Nowogrocki, G; Abraham, F","Order-disorder transition in Na~3~Bi(PO~4~)~2~","Phase Transition","1990","27","","91","105","10.1080/01411599008206903","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1006046","5.6226","0.0001","5.7199","0.0001","7.9689","0.0002","90","","89.796","0.009","90","","256.3","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Dilanthanum lithium antimony(V) oxide","","- La2 Li O6 Sb -","- La2 Li O6 Sb -","- La4 Li2 O12 Sb2 -","2","0.5","","Lopez, M L; Veiga, M L; Rodriguez-Carvajal, J; Fernandez, F; Jerez, A; Pico, C","The monoclinic perovskite La~2~LiSbO~6~. A Rietveld refinement of neutron powder diffraction data","Materials Research Bulletin","1992","27","","647","654","10.1016/0025-5408(92)90154-R","","","","","","0.033","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008047","4.891","0.001","9.553","0.002","8.786","0.002","90","","90","","90","","410.5","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Iron vanadium oxide hydroxide *","","- Fe H0.5 O6 V2 -","- Fe H0.5 O6 V2 -","- Fe4 H2 O24 V8 -","4","1","","Muller, J; Joubert, J C; Marezio, M","Synthese et structure cristalline d'un nouvel oxyde mixte Fe V~2~ O~6~ H~0.5~. Relation avec la structure type Diaspore","Journal of Solid State Chemistry","1979","27","","367","382","10.1016/0022-4596(79)90179-8","","","","","","0.024","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008079","5.94","","3.42","","11.14","","90","","91.05","","90","","226.3","","","","","","","","","","","","","3","I 1 2/m 1","-I 2y","12","","Dichromium nickel tetrasulfide","","- Cr2 Ni S4 -","- Cr2 Ni S4 -","- Cr4 Ni2 S8 -","2","0.25","","Andron, B; Bertaut, E F","Etude par Diffraction neutronique de Cr~2~ Ni S~4~","Journal de Physique (Paris)","1966","27","","619","626","10.1051/jphys:01966002709-10061900","","","","","","0.08","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008131","6.647","","6.984","","6.75","","90","","90","","90","","313.4","","","","","","","","","","","","","3","I m m a","-I 2b 2","74","","Manganese uranate","","- Mn O4 U -","- Mn O4 U -","- Mn4 O16 U4 -","4","0.25","","Bacmann, M; Bertaut, E F","Parametres atomiques et structure magnetique de Mn U O~4~","Journal de Physique et du Radium","1966","27","","726","734","","","","","","","0.015","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008165","12.129","0.003","3.679","0.001","6.547","0.002","90","","106.85","","90","","279.6","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Iron(III) vanadium divanadium(IV)","","- Fe O8 V3 -","- Fe O8 V3 -","- Fe2 O16 V6 -","2","0.25","","Muller, J; Joubert, J C; Marezio, M","Synthese et structure crystalline d'un nouvel oxyde mixte ""Fe V~3~ O~8~"" (Fe~x~ V~1-x~ O~2~; x=approximately 0.25)","Journal of Solid State Chemistry","1979","27","","191","199","10.1016/0022-4596(79)90157-9","","","","","","0.0019","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008492","13.773","0.004","5.384","0.001","14.929","0.002","90","","91.27","0.03","90","","1106.8","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Barium calcium cobalt iron(III) fluoride (2/1.1/0.9/2/14)","","- Ba2 Ca1.072 Co0.928 F14 Fe2 -","- Ba2 Ca1.072 Co0.928 F14 Fe2 -","- Ba8 Ca4.288 Co3.712 F56 Fe8 -","4","0.5","","Le Lirzin, A; Quiang, X; Darriet, J; Soubeyroux, J L; Kaiser, V; Pebler, J; Babel, D","Structural and magnetic properties of 1D bimetallic chains in Ba~2~CaCoFe~2~F~14~ and Ba~2~CaCoCr~2~F~14~","European Journal of Solid State Inorganic Chemistry","1990","27","","791","803","","","","","","","0.035","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008493","13.78","0.004","5.395","0.001","14.97","0.002","90","","91.22","0.03","90","","1112.7","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Barium calcium cobalt iron(III) fluoride (2/1.2/0.8/2/14)","","- Ba2 Ca1.17 Co0.83 F14 Fe2 -","- Ba2 Ca1.17 Co0.83 F14 Fe2 -","- Ba8 Ca4.68 Co3.32 F56 Fe8 -","4","0.5","","Le Lirzin, A; Quiang, X; Darriet, J; Soubeyroux, J L; Kaiser, V; Pebler, J; Babel, D","Structural and magnetic properties of 1D bimetallic chains in Ba~2~CaCoFe~2~F~14~ and Ba~2~CaCoCr~2~F~14~","European Journal of Solid State Inorganic Chemistry","1990","27","","791","803","","","","","","","0.036","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008838","8.75","","9.4","","5.07","","90","","90","","90","","417","","","","","","","","","","","","","3","P c 21 n","P -2n -2ac","33","","Iron(III) gallium oxide (1.15/.85/3)","","- Fe1.15 Ga0.85 O3 -","- Fe1.155 Ga0.845 O3 -","- Fe9.24 Ga6.76 O24 -","8","2","","Bertaut, E F; Bassi, G; Buisson, G; Chappert, J; Delapalme, A; Pauthenet, R; Rebouillat, H P; Aleonard, R","Etude par effet Moessbauer, rayons X, diffraction neutronique et mesures magnetiques de Fe1.15 Ga.85 O3","Journal de Physique (Paris)","1966","27","","433","448","10.1051/jphys:01966002707-8043300","","","","","","0.05","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1009068","3.624","0.005","3.624","0.005","8.36","0.008","90","","90","","90","","109.8","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Zirconium silicide selenide (2/1.9/1.99)","","- Se1.99 Si1.9 Zr2 -","- Se1.99 Si1.9 Zr2 -","- Se1.99 Si1.9 Zr2 -","1","0.0625","","Jeannin, Y; Mosset, A","Non-stoechiometrie du silicoseleniure de zirconium","Journal of the Less-Common Metals","1971","27","","237","242","10.1016/0022-5088(72)90033-1","","","","","","0.046","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1010059","5.72","","5.72","","5.72","","90","","90","","90","","187.1","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Nitrogen(I) oxide","","- N2 O -","- N2 O -","- N8 O4 -","4","0.166667","","de Smedt, J.; Keesom, W. H.","The structure of solid nitrous oxide and carbon dioxide","Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen","1924","27","","839","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","209052","2020-10-21","18:00:00",""
"1010060","5.63","","5.63","","5.63","","90","","90","","90","","178.5","","","","","","","","","","","","","2","P a -3","-P 2ac 2ab 3","205","","Carbon dioxide","","- C O2 -","- C O2 -","- C4 O8 -","4","0.166667","","de Smedt, J.; Keesom, W. H.","The structure of solid nitrous oxide and carbon dioxide","Proceedings of the Koninklijke Nederlandse Akademie van Wetenschappen","1924","27","","839","846","","","","","","","","","","","","","","","","","","","","","","has coordinates","301772","2025-08-18","12:31:56",""
"1010515","9.35","","9.35","","9.35","","90","","90","","90","","817.4","","","","","","","","","","","","","4","P n -3 m :1","P 4n 2 3 -1n","224","","Triammonium zirconium fluoride","","- F7 H12 N3 Zr -","- F7 H12 N3 Zr -","- F28 H48 N12 Zr4 -","4","0.0833333","","Hassel, O; Mark, H","Ueber die Struktur der isomorphen Verbindungen (N H~4~)~3~ Zr F~7~ und (N H~4~)~3~ Hf F~7.~","Zeitschrift fuer Physik","1924","27","","89","101","10.1007/BF01328017","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1010774","","","","","","","","","","","","","","","","","","","","","","","","","","6","","","","","Calcium phosphothiosilicate fluoride *","","- Ca10 F2 O24 P2 S2 Si2 -","","","","","","Klement, R","Isomorpher Ersatz des Phosphors in Apatiten durch Silicium und Schwefel","Naturwissenschaften","1939","27","","57","58","10.1007/BF01488937","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010775","12.18","","12.18","","18.82","","90","","90","","90","","2792","","","","","","","","","","","","","5","","","","","Iron hydrogen silicate tungstate hydrate *","","- Fe5 H105 O136 Si2 W24 -","","","1","","","Kraus, O","Die Basizitaet der Heteropolysaeuren- ein Strukturproblem","Naturwissenschaften","1939","27","","740","740","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010838","4.33","0.01","4.33","0.01","4.33","0.01","90","","90","","90","","81.2","","","","","","","","","","","","","2","","","","","Beryllium carbide","","- C Be2 -","","","4","","","Stackelberg, M von; Quatram, F","Die Struktur des Berylliumcarbids Be~2~ C.","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1934","27","","50","52","","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010969","","","","","","","","","","","","","","","","","","","","","","","","","","5","","","","","Calcium thiosilicate fluoride *","Ellestadite","- Ca10 F2 O24 S3 Si3 -","","","","","","Klement, R","Isomorpher Ersatz des Phosphors in Apatiten durch Silicium und Schwefel","Naturwissenschaften","1939","27","","57","58","10.1007/BF01488937","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1011120","10.45","","10.45","","10.45","","24.13","","24.13","","24.13","","167.6","","","","","","","","","","","","synthetic","2","R -3 m :R","-P 3* 2","166","","Bismuth telluride","Tellurobismuthite","- Bi2 Te3 -","- Bi2 Te3 -","- Bi2 Te3 -","1","0.0833333","","Lange, P. W.","Ein vergleich zwischen Bi2Te3 und Bi2Te2S","Naturwissenschaften","1939","27","","133","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:11:44",""
"1011172","4.913","","4.913","","5.405","","90","","90","","120","","113","","","","","","","","","","","","","2","P 31 2 1","P 31 2""","152","","Silicon oxide $-alpha","Quartz low","- O2 Si -","- O2 Si -","- O6 Si3 -","3","0.5","","Brill, R; Hermann, C; Peters, C","Studien ueber chemische Bindung mittels Fourieranalyse III. Die Bindung im Quarz","Naturwissenschaften","1939","27","","676","677","10.1007/BF01494994","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011381","4.428","0.004","4.428","","7.185","0.007","90","","90","","120","","122","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Dimagnesium zinc antimonide (1.86/1.14/2)","","- Mg1.86 Sb2 Zn1.14 -","- Mg1.86 Sb2 Zn1.14 -","- Mg1.86 Sb2 Zn1.14 -","1","0.0833333","","Loehberg, K","Zur Kenntnis der Ersetzbarkeit von Zink durch Magnesium und umgekehrt 1. Ueber die Mischbarkeit von Mg3 Sb2 und Zn3 Sb2 und die Struktur der Mischkristalle","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1934","27","","381","403","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100025","5.214","0.003","6.43","0.003","7.301","0.012","90","","90","","90","","244.8","","","","","","","","","","","","","4","P m c 21","P 2c -2","26","","Strontium calcium carbonate","Carbocernaite","- C2 Ca O6 Sr -","- C2 Ca O6 Sr -","- C4 Ca2 O12 Sr2 -","2","0.5","","Shi, N.; Ma, Z.; Peng, Z.","The Crystal Structure of Carbocernaite","Chinese Science Bulletin","1982","27","1","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","278161","2022-09-26","15:29:59",""
"1100295","10.334","0.003","11.834","0.001","16.445","0.002","90","","102.33","","90","","1964.71","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cr O5 P -","- C21 H19 Cr O5 P -","- C84 H76 Cr4 O20 P4 -","4","1","","Dötz, Karl Heinz; Tiriliomis, Athanassios; Harms, Klaus; Regitz, Manfred; Annen, Ulrich","Annelation of Carbene Ligands by λ^3^-Phosphaalkynes, an Entry to Functionalized Phosphaarenes","Angewandte Chemie, International Edition in English","1988","27","5","713","714","10.1002/anie.198807131","","","","","","","","","","","","","","","","","","","","","has coordinates","176969","2020-10-21","18:00:00",""
"1100311","7.894","0.001","16.227","0.002","9.707","0.002","90","","101.01","","90","","1220.54","","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H37 Li N2 O3 -","- C26 H37 Li N2 O3 -","- C52 H74 Li2 N4 O6 -","2","1","","Enders, Dieter; Bachstädter, Gerhard; Kremer, Kenneth A. M.; Marsch, Michael; Harms, Klaus; Boche, Gernot","Structure of a Chiral Lithium Azaenolate: Monomeric, Intramolecular Chelated Lithio-2-acetylnaphthalene-SAMP-hydrazone","Angewandte Chemie, International Edition in English","1988","27","11","1522","1524","10.1002/anie.198815221","","","","","","","","","","","","","","","","","","","","","has coordinates","301773","2025-08-18","12:42:41",""
"1100318","10.147","0.003","10.693","0.002","11.919","0.003","86.94","0.02","88.69","0.02","85.89","0.02","1287.83","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H64 Li2 O10 S2 -","- C108 H128 Li4 O20 S4 -","- C108 H128 Li4 O20 S4 -","1","0.5","","Hollstein, Werner; Harms, Klaus; Marsch, Michael; Boche, Gernot","X-Ray Structure Investigation of 2,2-Diphenyl-1-(phenylsulfonyl)cyclopropyllithium-Dimethoxyethane (2/3): A Sulfonyl ""Carbanion"" Having an α-C Atom with a Tetrahedral Configuration","Angewandte Chemie, International Edition in English","1988","27","6","846","847","10.1002/anie.198808461","","","","","","","","","","","","","","","","","","","","","has coordinates","177017","2020-10-21","18:00:00",""
"1200009","5.584","0.005","14.6","0.01","5.374","0.005","90","","90","","90","","438.1","","","","","","","","","","","","","4","I b m 2","I 2 -2b","46","","Calcium iron(III) aluminium oxide (2/1.5/0.5/5)","Brownmillerite","- Al Ca2 Fe O5 -","- Al Ca2 Fe O5 -","- Al4 Ca8 Fe4 O20 -","4","0.5","","Colville, A A; Geller, S","The Crystal Structure of Brownmillerite, Ca2 Fe Al O5","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2311","2315","10.1107/S056774087100579X","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1500013","9.5677","0.0005","12.4114","0.0006","13.3517","0.0006","75.465","0.001","71.674","0.001","78.059","0.001","1442.71","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H20 Cl2 Cu N10 O10 -","- C22 H20 Cl2 Cu N10 O10 -","- C44 H40 Cl4 Cu2 N20 O20 -","2","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative","Polyhedron","2008","27","","2779","2784","10.1016/j.poly.2008.06.001","","","0.71073","MoKα","","0.0321","0.0306","","","0.0817","0.0826","","","","","","1.051","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500014","12.1033","0.0005","18.1364","0.0007","14.2061","0.0005","90","","102.712","0.001","90","","3041.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl2 Cu N10 O9 -","- C26 H26 Cl2 Cu N10 O9 -","- C104 H104 Cl8 Cu4 N40 O36 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative","Polyhedron","2008","27","","2779","2784","10.1016/j.poly.2008.06.001","","","0.71073","MoKα","","0.0306","0.0284","","","0.0767","0.0781","","","","","","1.012","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500015","14.8687","0.0009","7.347","0.0005","18.2668","0.0011","90","","95.563","0.001","90","","1986.1","0.2","298","2","298","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C17 H14 Cu N8 O7 -","- C17 H14 Cu N8 O7 -","- C68 H56 Cu4 N32 O28 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative","Polyhedron","2008","27","","2779","2784","10.1016/j.poly.2008.06.001","","","0.71073","MoKα","","0.0507","0.0451","","","0.1332","0.1388","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1500016","13.3507","0.0008","14.2757","0.0009","13.053","0.0008","90","","114.735","0.001","90","","2259.5","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Cl2 Cu N10 O10 -","- C12 H20 Cl2 Cu N10 O10 -","- C48 H80 Cl8 Cu4 N40 O40 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative","Polyhedron","2008","27","","2779","2784","10.1016/j.poly.2008.06.001","","","0.71073","MoKα","","0.0619","0.0526","","","0.1446","0.1518","","","","","","1.08","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500017","14.2694","0.0006","8.768","0.0004","23.9159","0.001","90","","117.222","0.001","90","","2660.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 Cl2 Cu N10 O10 -","- C16 H28 Cl2 Cu N10 O10 -","- C64 H112 Cl8 Cu4 N40 O40 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative","Polyhedron","2008","27","","2779","2784","10.1016/j.poly.2008.06.001","","","0.71073","MoKα","","0.0511","0.0484","","","0.138","0.1403","","","","","","1.085","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1500018","13.2076","0.0007","22.2625","0.001","14.1257","0.0007","90","","102.797","0.001","90","","4050.3","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H29 Cl3 Cu2 N20 O17 -","- C25 H29 Cl3 Cu2 N20 O17 -","- C100 H116 Cl12 Cu8 N80 O68 -","4","1","","Carmen R. Maldonado; Miguel Quirós; Juan M. Salas","Copper(II) complexes with 1,2,4-triazolo[1,5-a]pyrimidine and its 5,7-dimethyl derivative","Polyhedron","2008","27","","2779","2784","10.1016/j.poly.2008.06.001","","","0.71073","MoKα","","0.0693","0.0604","","","0.1558","0.1626","","","","","","1.055","","","","has coordinates","301775","2025-08-18","14:01:15",""
"1501775","6.43","0.002","10.419","0.004","26.21","0.01","98.166","0.014","90.558","0.015","91.15","0.013","1737.6","1.1","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H53 N O8 -","- C36 H53 N O8 -","- C72 H106 N2 O16 -","2","1","","Chahine, Joe; Saffon, Nathalie; Cantuel, Martine; Fery-Forgues, Suzanne","Spontaneous formation of fluorescent nanofibers and reticulated solid from berberine palmitate: a new example of aggregation-induced emission enhancement in organic ion pairs.","Langmuir : the ACS journal of surfaces and colloids","2011","27","6","2844","2853","10.1021/la104302d","","","0.71073","MoKα","","0.3188","0.1377","","","0.3269","0.4222","","","","","","0.999","","","","has coordinates","301775","2025-08-18","14:01:16",""
"1507771","4.1519","0.001","4.7055","0.001","53.555","0.004","89.473","0.015","87.617","0.005","76.329","0.005","1015.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H39 Ag O2 -","- C20 H39 Ag O2 -","- C40 H78 Ag2 O4 -","2","1","","Stephens, P W; Kaduk, J A; Blanton, T N; Whitcomb, D R; Misture, S T; Rajeswraran, M","Structure determination of the silver carboxylate dimer [Ag(O2C20H39)]2, silver arachidate, using powder X-ray diffraction methods","Powder Diffraction","2012","27","","99","103","10.1017/S0885715612000309","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507772","6.81133","0.00008","6.95839","0.00009","17.385","0.0002","87.92","0.001","89.48","0.001","62.772","0.001","732.166","0.017","288","","288","","","","","","","","","4","P -1","-P 1","2","","","","- Cr H22 Mg O15 -","- Cr H22 Mg O15 -","- Cr2 H44 Mg2 O30 -","2","1","","Fortes, A D; Wood, I G","X-ray powder diffraction analysis of a new magnesium chromate hydrate, MgCrO4.11H2O","Powder Diffraction","2012","27","","8","11","10.1017/S088571561200005X","","","","","","","","","","","","","","","","","","","","","has coordinates","301775","2025-08-18","14:03:05",""
"1509088","2.96","","2.96","","2.96","","90","","90","","90","","25.934","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","Silver iron (0.3/0.7)","","- Ag0.3 Fe0.7 -","- Ag0.3 Fe0.7 -","- Ag0.6 Fe1.4 -","2","0.0208333","","Kataoka, N.; Sumiyama, K.; Nakamura, Y.","Effect of Ar gas pressure on structure and magnetic properties of sputter-deposited Fe-Ag alloys","Japanese Journal of Applied Physics","1988","27","","1693","1698","10.1143/JJAP.27.1693","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509112","4.02","","4.02","","4.02","","90","","90","","90","","64.965","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Silver iron (0.4/0.6)","","- Ag0.4 Fe0.6 -","- Ag0.4 Fe0.6 -","- Ag1.6 Fe2.4 -","4","0.0208333","","Sumiyama, K.; Nakamura, Y.; Kataoka, N.","Effect of Ar gas pressure on structure and magnetic properties of sputter-deposited Fe-Ag alloys","Japanese Journal of Applied Physics","1988","27","","1693","1698","10.1143/JJAP.27.1693","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509408","6.092","","6.092","","11.64","","90","","90","","90","","431.989","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","","- Ag In Se2 -","- Ag In Se2 -","- Ag4 In4 Se8 -","4","0.25","","Lerner, L.S.","Cu Ga Se2 and Ag In Se2: Preparation and properties of single crystals","Journal of Physics and Chemistry of Solids","1966","27","","1","8","10.1016/0022-3697(66)90157-0","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509415","6.881","","6.881","","5.62","","90","","90","","90","","266.097","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Ag In2 -","- Ag In2 -","- Ag4 In8 -","4","0.125","","Damsma, H.; Hokkeling, P.; Havinga, E.E.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","10.1016/0022-5088(72)90028-8","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509560","7.591","","7.591","","5.844","","90","","90","","90","","336.75","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Ag Th2 -","- Ag Th2 -","- Ag4 Th8 -","4","0.125","","Damsma, H.; Hokkeling, P.; Havinga, E.E.","Compounds and pseudobinary alloys with the Cu Al2 (C16)- type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","10.1016/0022-5088(72)90028-8","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509735","4.17","","4.17","","4.17","","90","","90","","90","","72.512","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag3 Cd2)0.8","","- Ag2.4 Cd1.6 -","- Ag2.4 Cd1.6 -","- Ag2.4 Cd1.6 -","1","0.00520833","","Owen, E.A.; Roberts, E.W.","Factors affecting the limit of solubility of elements in copper and silver","Philosophical Magazine, Serie 6 (1901-1925)","1939","27","","294","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509835","4.12","","4.12","","4.12","","90","","90","","90","","69.935","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag9 Sn)0.4","","- Ag3.6 Sn0.4 -","- Ag3.6 Sn0.4 -","- Ag3.6 Sn0.4 -","1","0.00520833","","Roberts, E.W.; Owen, E.A.","Factors affecting the limit of solubility of elements in copper and silver","Philosophical Magazine, Serie 6 (1901-1925)","1939","27","","294","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509842","4.122","","4.122","","4.122","","90","","90","","90","","70.036","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag37 Sb3)0.1","","- Ag3.7 Sb0.3 -","- Ag3.7 Sb0.3 -","- Ag3.7 Sb0.3 -","1","0.00520833","","Roberts, E.W.; Owen, E.A.","Factors affecting the limit of solubility of elements in copper and silver","Philosophical Magazine, Serie 6 (1901-1925)","1939","27","","294","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510051","4.136","","4.136","","4.136","","90","","90","","90","","70.752","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Ag33 In7)0.1","","- Ag3.3 In0.7 -","- Ag3.3 In0.7 -","- Ag3.3 In0.7 -","1","0.00520833","","Owen, E.A.; Roberts, E.W.","Factors effecting the limit of solubility of elements in copper and silver","Philosophical Magazine, Serie 6 (1901-1925)","1939","27","","294","327","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510311","7.462","","7.462","","5.989","","90","","90","","90","","333.476","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Au Th2 -","- Au Th2 -","- Au4 Th8 -","4","0.125","","Havinga, E.E.; Hokkeling, P.; Damsma, H.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","10.1016/0022-5088(72)90028-8","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510315","7.26","","7.26","","5.6","","90","","90","","90","","295.163","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Au Tl2 -","- Au Tl2 -","- Au4 Tl8 -","4","0.125","","Damsma, H.; Hokkeling, P.; Havinga, E.E.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","10.1016/0022-5088(72)90028-8","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510789","8.389","","5.245","","6.89","","90","","126.9","","90","","242.434","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Ni2 Tb B2","","- B2 Ni2 Tb -","- B2 Ni2 Tb -","- B8 Ni8 Tb4 -","4","0.5","","Kuz'ma, Yu.B.; Chaban, N.F.; Gubich, I.B.","New borides of the rare earth metals and nickel","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1967","1991","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1510965","7.48","","7.48","","14.88","","90","","90","","90","","832.542","","","","","","","","","","","","","4","I 41/a c d :1","I 4bw 2aw -1bw","142","","(Rh17 Ru3 Y5 B20)1.6","","- B32 Rh27.2 Ru4.8 Y8 -","- B32 Rh27.2 Ru4.8 Y8 -","- B32 Rh27.2 Ru4.8 Y8 -","1","0.03125","","Bevolo, A.J.; Hamaker, H.C.; Jacobson, R.A.; Horng, H.E.; Bader, S.D.; Richardson, J.W.jr.; Shelton, R.N.","Charge transfer and transition-metal cluster: Boron bonding in the bct superconducting Y (Rh1-x Rux)4 B4 system","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","27","","6703","6712","10.1103/PhysRevB.27.6703","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1510966","7.46","","7.46","","14.975","","90","","90","","90","","833.383","","","","","","","","","","","","","4","I 41/a c d :1","I 4bw 2aw -1bw","142","","(Rh4 Ru16 Y5 B20)1.6","","- B32 Rh6.4 Ru25.6 Y8 -","- B32 Rh6.4 Ru25.6 Y8 -","- B32 Rh6.4 Ru25.6 Y8 -","1","0.03125","","Hamaker, H.C.; Jacobson, R.A.; Bevolo, A.J.; Bader, S.D.; Horng, H.E.; Shelton, R.N.; Richardson, J.W.jr.","Charge transfer and transition-metal cluster: Boron bonding in the bct superconducting Y(Rh1-x Rux)4 B4 system","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","27","","6703","6712","10.1103/PhysRevB.27.6703","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511048","6.08","","6.08","","6.55","","90","","90","","120","","209.691","","","","","","","","","","","","","2","P 63/m","-P 6c","176","","","","- B Cl3 -","- B Cl3 -","- B2 Cl6 -","2","0.166667","","Lipscomb, W.N.; Atoji, M.","B-Cl Distance in Boron Trichloride","Journal of Chemical Physics","1957","27","","195","195","10.1063/1.1743667","","","","","","","","","","","","","","","","","","","","","has coordinates","301776","2025-08-18","14:47:40",""
"1511173","10.048","","7.61","","4.964","","90","","91.98","","90","","379.347","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Nd (B Ge O5)","","- B Ge Nd O5 -","- B Ge Nd O5 -","- B4 Ge4 Nd4 O20 -","4","1","","Kaminskii, A.A.; Mill', B.V.; Belokoneva, E.L.; Butashin, A.V.","Polymorphism of Ln B Ge O5 compounds","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1700","1707","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511240","5.547","","5.547","","4.739","","90","","90","","90","","145.815","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Mo2 B","","- B Mo2 -","- B Mo2 -","- B4 Mo8 -","4","0.125","","Havinga, E.E.; Hokkeling, P.; Damsma, H.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","10.1016/0022-5088(72)90028-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511265","4.991","","4.991","","4.247","","90","","90","","90","","105.793","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Ni2 B","","- B Ni2 -","- B Ni2 -","- B4 Ni8 -","4","0.125","","Hokkeling, P.; Havinga, E.E.; Damsma, H.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","10.1016/0022-5088(72)90028-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511330","5.783","","5.783","","4.866","","90","","90","","90","","162.734","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Ta2 B","","- B Ta2 -","- B Ta2 -","- B4 Ta8 -","4","0.125","","Damsma, H.; Havinga, E.E.; Hokkeling, P.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","10.1016/0022-5088(72)90028-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511333","5.568","","5.568","","4.744","","90","","90","","90","","147.076","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","W2 B","","- B W2 -","- B W2 -","- B4 W8 -","4","0.125","","Hokkeling, P.; Havinga, E.E.; Damsma, H.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","10.1016/0022-5088(72)90028-8","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511340","10.53","","2.9038","","6.1013","","90","","91.119","","90","","186.524","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","Ir B1.26","","- B1.26 Ir -","- B1.255 Ir -","- B10.04 Ir8 -","8","1","","Lundstroem, T.; Tergenius, L.E.","Refinement of the crystal structure of the non-stoichiometric boride Ir B1.35","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","3705","3711","10.3891/acta.chem.scand.27-3705","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511351","13.675","","19.792","","20.49","","90","","90","","90","","5545.73","","","","","","","","","","","","","5","B m a b","-B 2ab 2","64","","(U O2) (B10 H10) (C O (N H2)2)7","","- C6 B10 N12 O8 U -","- C6 H34 B10 N12 O8 U -","- C48 H272 B80 N96 O64 U8 -","8","","","Mikhailov, Yu. N.; Kuznetsov, N. T.; Zemskova, L. A.; Mistryukov, V. E.; Kanishcheva, A. S.; Solntsev, K. A.","A Preliminary determination of the crystal structures of uranyl complexes with neutral ligands and closoborate anions (U O2 (C O (N H2)2)5 (B10 H10) (C O (N H2)2)2 and (U O2 (H2 O)5) (B12 H12) (H2 O)6","Zhurnal Neorganicheskoi Khimii","1982","27","","2343","2347","","","","","","","","","","","","","","","","","","","","","","has coordinates","189246","2020-10-21","18:00:00",""
"1511401","7.235","","7.235","","7.535","","90","","90","","90","","394.421","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Co Tb4 B13","","- B13 Co Tb4 -","- B13 Co Tb4 -","- B26 Co2 Tb8 -","2","0.125","","Kuz'ma, Yu.B.; Dub, O.M.; Chaban, M.F.","Isothermal sections of the phase diagrams of the system Tb-Co-B at 1070 and 870 K","Poroshkovaya Metallurgiya","1988","27","","828","831","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511402","7.1","","7.1","","7.971","","90","","90","","90","","401.818","","","","","","","","","","","","","3","P 4/m n c","-P 4 2n","128","","Y4 Co B13","","- B13 Co Y4 -","- B13 Co Y4 -","- B26 Co2 Y8 -","2","0.125","","Gubich, I.B.; Kuz'ma, Yu.B.; Chaban, N.F.","New borides Ln4CoB13 and their crystal structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1979","1981","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511483","5.981","","11.569","","3.474","","90","","90","","90","","240.381","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Sm Mn B4","","- B4 Mn Sm -","- B4 Mn Sm -","- B16 Mn4 Sm4 -","4","0.5","","Mikhalenko, S.I.; Kuz'ma, Yu.B.","Sm-Mn-B system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","2109","2112","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511494","8.791","","16.176","","7.386","","90","","90","","90","","1050.31","","","","","","","","","","","","","4","P c 21 n","P -2n -2ac","33","","Nd2 Sr3 (B O3)4","","- B4 Nd2 O12 Sr3 -","- B4 Nd2 O12 Sr3 -","- B16 Nd8 O48 Sr12 -","4","1","","Abdullaev, G.K.; Mamedov, Kh.S.","The refinement of the crystal structure of Nd2 Sr3 (B O3)4","Kristallografiya","1982","27","","795","797","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511513","7.448","","7.448","","15","","90","","90","","90","","832.091","","","","","","","","","","","","","3","I 41/a c d :1","I 4bw 2aw -1bw","142","","Ru4 Y B4","","- B4 Ru4 Y -","- B4 Ru4 Y -","- B32 Ru32 Y8 -","8","0.25","","Horng, H.E.; Bevolo, A.J.; Richardson, J.W.jr.; Hamaker, H.C.; Shelton, R.N.; Jacobson, R.A.; Bader, S.D.","Charge transfer and transition-metal cluster: Boron bonding in the bct superconducting Y (Rh1-x Rux)4 B4 system","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","27","","6703","6712","10.1103/PhysRevB.27.6703","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511634","7.627","","8.604","","3.443","","90","","90","","90","","225.939","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Yb2 Ni3 B6","","- B6 Ni3 Yb2 -","- B6 Ni3 Yb2 -","- B12 Ni6 Yb4 -","2","0.125","","Gubich, I.B.","A new boride Yb2Ni3B6 and its structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","630","631","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1511671","3.434","","15.745","","9.329","","90","","90","","90","","504.403","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Dy3 Mn B7","","- B7 Dy3 Mn -","- B7 Dy3 Mn -","- B28 Dy12 Mn4 -","4","0.25","","Chaban, N.F.; Mikhalenko, S.I.; Kuz'ma, Yu.B.","Interaction in Ln-Mn-B (Ln-Dy,Ho,Er) systems","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","2298","2302","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512919","11.07","0.007","15.828","0.01","10.706","0.007","90","","95.333","0.01","90","","1868","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 N2 O4 S2 Ti -","- C16 H22 N2 O4 S2 Ti -","- C64 H88 N8 O16 S8 Ti4 -","4","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized group 4 metal alkoxides modified with the pyridyl-based ligands 2-mercapto pyridine n-oxide and 3,3'-dihydroxy-2,2'-bipyridine","Polyhedron","2008","27","14","3079","3084","10.1016/j.poly.2008.06.037","","","0.71073","MoKα","","0.0366","0.0325","","","0.08","0.0824","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512920","9.8761","0.0014","10.5179","0.0015","12.7351","0.0018","95.878","0.003","104.109","0.002","105.309","0.002","1217.6","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H30 N2 O4 S2 Ti -","- C20 H30 N2 O4 S2 Ti -","- C40 H60 N4 O8 S4 Ti2 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized group 4 metal alkoxides modified with the pyridyl-based ligands 2-mercapto pyridine n-oxide and 3,3'-dihydroxy-2,2'-bipyridine","Polyhedron","2008","27","14","3079","3084","10.1016/j.poly.2008.06.037","","","0.71073","MoKα","","0.0733","0.0578","","","0.1568","0.1703","","","","","","1.04","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1512921","13.319","0.003","14.978","0.003","10.685","0.002","90","","95.781","0.003","90","","2120.7","0.8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Ti(2MPO)2(OBut)2","","","- C18 H26 N2 O4 S2 Ti -","- C18 H26 N2 O4 S2 Ti -","- C72 H104 N8 O16 S8 Ti4 -","4","0.5","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized group 4 metal alkoxides modified with the pyridyl-based ligands 2-mercapto pyridine n-oxide and 3,3'-dihydroxy-2,2'-bipyridine","Polyhedron","2008","27","14","3079","3084","10.1016/j.poly.2008.06.037","","","0.71073","MoKα","","0.0565","0.0516","","","0.1557","0.1611","","","","","","1.086","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1512922","11.241","0.003","18.098","0.005","21.567","0.006","86.3","0.004","89.248","0.004","75.033","0.004","4230","2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H84 N6 O12 Ti3 -","- C60 H84 N6 O12 Ti3 -","- C120 H168 N12 O24 Ti6 -","2","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized group 4 metal alkoxides modified with the pyridyl-based ligands 2-mercapto pyridine n-oxide and 3,3'-dihydroxy-2,2'-bipyridine","Polyhedron","2008","27","14","3079","3084","10.1016/j.poly.2008.06.037","","","0.71073","MoKα","","0.0918","0.0748","","","0.2156","0.2286","","","","","","1.07","","","","has coordinates,has disorder","301776","2025-08-18","14:47:42",""
"1512923","15.8","0.002","16.544","0.002","27.596","0.004","90","","90","","90","","7213.5","1.6","273","2","273","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C54 H72 N6 O12 Zr3 -","- C54 H72 N6 O12 Zr3 -","- C216 H288 N24 O48 Zr12 -","4","1","","Timothy J. Boyle; Leigh Anna M. Ottley; Mark A. Rodriguez","Structurally characterized group 4 metal alkoxides modified with the pyridyl-based ligands 2-mercapto pyridine n-oxide and 3,3'-dihydroxy-2,2'-bipyridine","Polyhedron","2008","27","14","3079","3084","10.1016/j.poly.2008.06.037","","","0.71073","MoKα","","0.0354","0.0324","","","0.0799","0.0816","","","","","","1.007","","","","has coordinates","301776","2025-08-18","14:47:42",""
"1513973","4.921","0.006","8.526","0.003","9.606","0.005","90","","99.47","0.05","90","","397.5","0.5","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Dilithium Manganese(IV) Oxide","","- Li2 Mn O3 -","- Li2 Mn O3 -","- Li16 Mn8 O24 -","8","1","","Riou, A.; Lecerf, A.; Gerault, Y.; Cudennec, Y.","Etude structurale de Li2MnO3","Materials Research Bulletin","1992","27","","269","275","10.1016/0025-5408(92)90055-5","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","176788","2020-10-21","18:00:00",""
"1514116","9.7876","0.0003","9.7876","0.0003","2.865","0.0001","90","","90","","90","","274.459","0.015","","","","","","","","","","","","2","I 4/m","-I 4","87","","Manganese Oxide (1/2) - Alpha","","- Mn0.98 O2 -","- Mn0.98 O2 -","- Mn7.84 O16 -","8","0.5","","Rossouw, M. H.; Liles, D. C.; Thackeray, M. M.; David, W. I. F.; Hull, S.","Alpha manganese dioxide for lithium batteries: a structural and electrochemical study","Materials Research Bulletin","1992","27","","221","230","10.1016/0025-5408(92)90216-M","","","","","","0.018","","","","","","","","","","","","","","","has coordinates","176808","2020-10-21","18:00:00",""
"1517788","3.884","","3.884","","12.6","","90","","90","","90","","190.077","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Distrontium Titanate","","- O4 Sr2 Ti -","- O4 Sr2 Ti -","- O8 Sr4 Ti2 -","2","0.0625","","Miwa, K.; Kagomiya, I.; Ohsato, H.; Sakai, H.; Maeda, Y.","Electrical properties of the Sr2 Ru1-x Tix O4 solid solutions","Journal of the European Ceramic Society","2007","27","","4287","4290","10.1016/j.jeurceramsoc.2007.02.146","","","","","","","","","","","","","","","","","","","","","has coordinates","177091","2020-10-21","18:00:00",""
"1521011","4.4449","","4.6648","","6.4544","","90","","90","","90","","133.829","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Mg (Si O3)","","- Mg O3 Si -","- Mg O3 Si -","- Mg4 O12 Si4 -","4","0.5","","Fiquet, G.; Dewaele, A.; Andrault, D.; Kunz, M.; le Bihan, M.T.","Thermoelastic properties and crystal structure of Mg Si O3 perovskite at lower mantle pressure and temperature conditions","Geophysical Research Letters","2000","27","","21","24","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1521751","4.945","","4.945","","4.945","","90","","90","","90","","120.92","","","","","","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","(Fe0.2 V0.8)3 Sn","","- Fe0.6 Sn V2.4 -","- Fe0.6 Sn V2.4 -","- Fe1.2 Sn2 V4.8 -","2","0.0416667","","Kanematsu, K.","Stability of the Crystal Structure of (Fe, V)~3~M and (Fe, Ni)~3~M (M= Si, Ge, Sn) and its Analysis Based on Rigid Band Model","Transactions of the Japan Institute of Metals","1986","27","4","225","232","10.2320/matertrans1960.27.225","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522919","7.219","","7.219","","7.219","","90","","90","","90","","376.211","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Gd (Mn0.2 Ni0.8)2","","- Gd Mn0.4 Ni1.6 -","- Gd Mn0.4 Ni1.6 -","- Gd8 Mn3.2 Ni12.8 -","8","0.0416667","","Slebarski, A.; Byszewski, P.","Magnetic and structural investigations of Gd Mn2 - Gd Ni2 intermetallic compounds","Journal of Magnetism and Magnetic Materials","1982","27","","182","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523006","7.69","","7.69","","7.69","","90","","90","","90","","454.757","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Ir Os) Th","","- Ir Os Th -","- Ir Os Th -","- Ir8 Os8 Th8 -","8","0.0416667","","Thomson, H.R.","Alloys of thorium with certain transition metals. V. The Th Os2 - Th Ir2 pseudo-binary system and some additional results on the Th-Ir system","Journal of the Less-Common Metals","1972","27","","293","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523009","4.5","","4.5","","4.5","","90","","90","","90","","91.125","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Nb Zr) N2","","- N2 Nb Zr -","- N2 Nb Zr -","- N4 Nb2 Zr2 -","2","0.0104167","","Toth, L.E.; Yen, C.M.; Anderson, D.E.; Rosner, L.G.","Superconducting critical fields, currents and temperatures in the Nb-Zr-N ternary system","Journal of Physics and Chemistry of Solids","1966","27","","1815","1819","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1523794","6.385","","6.385","","5.596","","90","","90","","90","","228.139","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Fe Zr2 -","- Fe Zr2 -","- Fe4 Zr8 -","4","0.125","","Havinga, E.E.; Damsma, H.; Hokkeling, P.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)- type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523795","6.41","","6.41","","5.656","","90","","90","","90","","232.394","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Rh Sn2 -","- Rh Sn2 -","- Rh4 Sn8 -","4","0.125","","Havinga, E.E.; Hokkeling, P.; Damsma, H.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)- type structure. I. Preparation and x-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523998","8.258","","11.662","","8.925","","90","","90","","90","","859.52","","","","","","","","","","","","","5","P b a m","-P 2 2ab","55","","K2 (Hg Cl4) (H2 O)","","- Cl4 H2 Hg K2 O -","- Cl4 Hg K2 O -","- Cl16 Hg4 K8 O4 -","4","0.5","","Aurivillius, K.; Stalhandske, C.","An X-ray single crystal study of K2 Hg Cl4 H2 O","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","1086","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524009","9.83","","9.83","","6.17","","90","","90","","120","","516.325","","","","","","","","","","","","","2","P 63 m c","P 6c -2c","186","","","","- Co3 Th7 -","- Co3 Th7 -","- Co6 Th14 -","2","0.166667","","Baenziger, N.C.","The crystal structures of some thorium and uranium compounds","Iowa State College Journal of Science","1952","27","","126","128","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524297","11.754","","5.1395","","7.6296","","90","","113.04","","90","","424.136","","","","","","","","","","","","","4","P 1 2/a 1","-P 2ya","13","","Li (Al Si4 O10)","","- Al Li O10 Si4 -","- Al Li O10 Si4 -","- Al2 Li2 O20 Si8 -","2","0.5","","Effenberger, H.","Petalit, Li Al Si4 O10: Verfeinerung der Kristallstruktur, Diskussion der Raumgruppe und Infrarot-Messung","TMPM. Tschermaks Mineralogische und Petrographische Mitteilungen (1979-)","1980","27","","129","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524338","16.702","","3.84","","8.929","","90","","90","","90","","572.667","","","","","","","","","","","","","2","P m m a","-P 2a 2a","51","","Li (Ta3 O8)","","- O8 Ta3 -","- O8 Ta3 -","- O32 Ta12 -","4","0.5","","Fallon, G.D.; Gatehouse, B.M.; Roth, R.S.; Roth, S.A.","Crystal structures of some niobium and tantalum oxides, part VI. The structure of H-Li Ta3 O8","Journal of Solid State Chemistry","1979","27","","255","259","","","","","","","","","","","","","","","","","","","","","","has coordinates","145078","2020-10-21","18:00:00",""
"1524391","7.7","","15.7","","3.979","","90","","90","","90","","481.021","","","","","","","","","","","","","3","P 21 21 2","P 2 2ab","18","","Te3 Nb2 O11","","- Nb2 O11 Te3 -","- Nb2 O11 Te3 -","- Nb4 O22 Te6 -","2","0.5","","Galy, J.; Lindqvist, O.","The crystal structure of Te3 Nb2 O11","Journal of Solid State Chemistry","1979","27","","279","286","","","","","","","","","","","","","","","","","","","","","","has coordinates","145145","2020-10-21","18:00:00",""
"1524395","6.226","","6.226","","19.976","","90","","90","","120","","670.59","","","","","","","","","","","","","3","P 63/m c m","-P 6c 2","193","","Ce Ta7 O19","","- Ce O19 Ta7 -","- Ce O19 Ta7 -","- Ce2 O38 Ta14 -","2","0.0833333","","Gatehouse, B.M.","Crystal structures of some niobium and tantalum oxides. Part V. Ce Ta7 O19","Journal of Solid State Chemistry","1979","27","","209","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524426","11.139","","5.243","","21.306","","90","","106.94","","90","","1190.32","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ba Te (S2 O3)2 (H2 O)3","","- Ba H6 O9 S4 Te -","- Ba H6 O9 S4 Te -","- Ba4 H24 O36 S16 Te4 -","4","1","","Gjerrestad, K.; Maroy, K.","The crystal structure of barium telluropentathionate trihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","1653","1666","","","","","","","","","","","","","","","","","","","","","","has coordinates","189186","2020-10-21","18:00:00",""
"1524513","6.377","","6.377","","5.618","","90","","90","","90","","228.462","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Co Sc2 -","- Co Sc2 -","- Co4 Sc8 -","4","0.125","","Havinga, E.E.; Damsma, H.; Hokkeling, P.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524514","6.364","","6.364","","5.518","","90","","90","","90","","223.482","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Co Zr2 -","- Co Zr2 -","- Co4 Zr8 -","4","0.125","","Havinga, E.E.; Damsma, H.; Hokkeling, P.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and Y-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524515","6.712","","6.712","","5.748","","90","","90","","90","","258.953","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Pd Tl2 -","- Pd Tl2 -","- Pd4 Tl8 -","4","0.125","","Havinga, E.E.; Damsma, H.; Hokkeling, P.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524516","6.822","","6.822","","5.565","","90","","90","","90","","258.993","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Pt Tl2 -","- Pt Tl2 -","- Pt4 Tl8 -","4","0.125","","Havinga, E.E.; Hokkeling, P.; Damsma, H.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524517","6.659","","6.659","","5.447","","90","","90","","90","","241.532","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Mn Sn2 -","- Mn Sn2 -","- Mn4 Sn8 -","4","0.125","","Havinga, E.E.; Damsma, H.; Hokkeling, P.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524518","6.539","","6.539","","5.325","","90","","90","","90","","227.689","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Fe Sn2 -","- Fe Sn2 -","- Fe4 Sn8 -","4","0.125","","Havinga, E.E.; Hokkeling, P.; Damsma, H.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524519","6.674","","6.674","","5.831","","90","","90","","90","","259.726","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Rh Pb2","","- Pb2 Rh -","- Pb2 Rh -","- Pb8 Rh4 -","4","0.125","","Havinga, E.E.; Hokkeling, P.; Damsma, H.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524520","6.865","","6.865","","5.844","","90","","90","","90","","275.417","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Pd Pb2","","- Pb2 Pd -","- Pb2 Pd -","- Pb8 Pd4 -","4","0.125","","Havinga, E.E.; Damsma, H.; Hokkeling, P.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524521","6.708","","6.708","","5.437","","90","","90","","90","","244.65","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Ga Zr2 -","- Ga Zr2 -","- Ga4 Zr8 -","4","0.125","","Havinga, E.E.; Hokkeling, P.; Damsma, H.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524522","6.496","","6.496","","5.605","","90","","90","","90","","236.52","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Rh Zr2 -","- Rh Zr2 -","- Rh4 Zr8 -","4","0.125","","Havinga, E.E.; Damsma, H.; Hokkeling, P.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524523","6.405","","6.405","","5.252","","90","","90","","90","","215.458","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Ni Hf2","","- Hf2 Ni -","- Hf2 Ni -","- Hf8 Ni4 -","4","0.125","","Havinga, E.E.; Damsma, H.; Hokkeling, P.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524524","6.69","","6.69","","5.294","","90","","90","","90","","236.939","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Ga Hf2 -","- Ga Hf2 -","- Ga4 Hf8 -","4","0.125","","Havinga, E.E.; Damsma, H.; Hokkeling, P.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524525","7.324","","7.324","","5.816","","90","","90","","90","","311.976","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Cu Th2 -","- Cu Th2 -","- Cu4 Th8 -","4","0.125","","Havinga, E.E.; Damsma, H.; Hokkeling, P.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524526","7.614","","7.614","","5.658","","90","","90","","90","","328.011","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","Zn Th2","","- Th2 Zn -","- Th2 Zn -","- Th8 Zn4 -","4","0.125","","Havinga, E.E.; Hokkeling, P.; Damsma, H.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524527","7.481","","7.481","","5.95","","90","","90","","90","","332.994","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Ga Th2 -","- Ga Th2 -","- Ga4 Th8 -","4","0.125","","Havinga, E.E.; Damsma, H.; Hokkeling, P.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524528","7.313","","7.313","","5.942","","90","","90","","90","","317.778","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Pd Th2 -","- Pd Th2 -","- Pd4 Th8 -","4","0.125","","Havinga, E.E.; Damsma, H.; Hokkeling, P.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524529","6.116","","6.116","","4.969","","90","","90","","90","","185.868","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Co Ta2 -","- Co Ta2 -","- Co4 Ta8 -","4","0.125","","Havinga, E.E.; Damsma, H.; Hokkeling, P.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524530","6.197","","6.197","","4.86","","90","","90","","90","","186.638","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Ni Ta2 -","- Ni Ta2 -","- Ni4 Ta8 -","4","0.125","","Havinga, E.E.; Damsma, H.; Hokkeling, P.","Compounds and pseudo-binary alloys with the Cu Al2 (C16)-type structure. I. Preparation and X-ray results","Journal of the Less-Common Metals","1972","27","","169","186","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524559","5.004","","5.004","","4.118","","90","","90","","120","","89.3","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Cu5.38 Yb0.82 -","- Cu5.38 Yb0.82 -","- Cu5.38 Yb0.82 -","1","0.0416667","","Hornstra, J.; Buschow, K.H.J.","The crystal structure of Yb Cu6.5","Journal of the Less-Common Metals","1972","27","","123","127","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524650","6.996","","6.996","","6.996","","90","","90","","90","","342.412","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Fe2 (Nb0.35 Zr0.65)","","- Fe2 Nb0.35 Zr0.65 -","- Fe2 Nb0.35 Zr0.65 -","- Fe16 Nb2.8 Zr5.2 -","8","0.0416667","","Kanematsu, K.","Structural and magnetic properties of the pseudobinary system (Zr1-x Nbx) Fe2","Journal of the Physical Society of Japan","1969","27","","849","856","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1524765","5.109","","5.109","","3.97","","90","","90","","120","","89.741","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Co5 La -","- Co5 La -","- Co5 La -","1","0.0416667","","Kuijpers, F.A.","Investigations on the La Co5 - H and Ce Co5 - H systems","Journal of the Less-Common Metals","1972","27","","27","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524890","11.591","","10.835","","9.145","","90","","111.93","","90","","1065.4","","","","","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","K2 Ba (S6 O6)2","","- Ba K2 O12 S12 -","- Ba K2 O12 S12 -","- Ba2 K4 O24 S24 -","2","0.5","","Maroy, K.","Refinement of the crystal structure of potassium barium hexathionate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","1684","1694","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525008","7.651","","7.549","","9.094","","90.06","","88.53","","93.75","","523.949","","","","","","","","","","","","","4","P -1","-P 1","2","","Zn2 (S O3)2 (H2 O)5","","- H10 O11 S2 Zn2 -","- O11 S2 Zn2 -","- O22 S4 Zn4 -","2","1","","Nyberg, B.","The crystal structure of Zn S O3 (H2 O)2.5","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","1541","1551","","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"1525154","2.8945","","2.8945","","2.8945","","90","","90","","90","","24.25","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Cr0.95 Ge0.05)","","- Cr0.95 Ge0.05 -","- Cr0.95 Ge0.05 -","- Cr1.9 Ge0.1 -","2","0.0208333","","Rawal, B.; Gupta, K.P.","Phase equilibria in the chromium-germanium system at the high chromium end","Journal of the Less-Common Metals","1972","27","","65","72","","","","","","","","","","","","","","","","","","","","","","has coordinates","146056","2020-10-21","18:00:00",""
"1525167","10.905","","7.517","","7.624","","90","","90","","90","","624.961","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Nd3 Nb O7","","- Nb Nd3 O7 -","- Nb Nd3 O7 -","- Nb4 Nd12 O28 -","4","0.25","","Rossell, H.J.","Fluorite-related phases Ln3 M O7, Ln= rare earth, Y or Sc, M= Nb, Sb or Ta","Journal of Solid State Chemistry","1979","27","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525168","11.167","","7.629","","7.753","","90","","90","","90","","660.502","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- La3 Nb O7 -","- La3 Nb O7 -","- La12 Nb4 O28 -","4","0.25","","Rossell, H.J.","Fluorite-related phases Ln3 M O7, Ln= rare earth, Y or Sc, M= Nb, Sb or Ta","Journal of Solid State Chemistry","1979","27","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525169","10.4762","","7.4237","","7.4522","","90","","90","","90","","579.574","","","","","","","","","","","","","3","C 2 2 21","C 2c 2","20","","Y3 Ta O7","","- O7 Ta Y3 -","- O7 Ta Y3 -","- O28 Ta4 Y12 -","4","0.5","","Rossell, H.J.","Fluorite-related phases Ln3 M O7, Ln= rare earth, Y or Sc, M= Nb, Sb or Ta","Journal of Solid State Chemistry","1979","27","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525170","10.5172","","7.4527","","7.4806","","90","","90","","90","","586.341","","","","","","","","","","","","","4","C 2 2 21","C 2c 2","20","","Y2 Gd Sb O7","","- Gd O7 Sb Y2 -","- Gd O7 Sb Y2 -","- Gd4 O28 Sb4 Y8 -","4","0.5","","Rossell, H.J.","Fluorite-related phases Ln3 M O7, Ln= rare earth, Y or Sc, M= Nb, Sb or Ta","Journal of Solid State Chemistry","1979","27","","115","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525351","14.025","","14.025","","5.761","","90","","90","","90","","1133.19","","","","","","","","","","","","","7","I 4/m","-I 4","87","","Na4 (Ni (N H3)4) (Ag (S2 O3)2)2 N H3","","- Ag2 H15 N5 Na4 Ni O12 S8 -","- Ag2 N5 Na4 Ni O12 S8 -","- Ag4 N10 Na8 Ni2 O24 S16 -","2","0.125","","Stomberg, R.; Svensson, I.B.; Tomlinson, A.A.G.","The crystal structure and spectra of Na4 (Ni (N H3)4) (Ag (S2 O3)2)2 N H3","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","1192","1202","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1526693","5.4744","","5.4766","","9.1505","","83.53","","76.68","","60.06","","231.335","","","","","","","","","","","","","6","P -1","-P 1","2","","(Fe1.4 Mg0.6) (Fe0.16 Al3.84) Si2 O10 (O H)4","","- Al3.84 Fe1.56 H4 Mg0.6 O14 Si2 -","- Al3.844 Fe1.558 Mg0.598 O14 Si2 -","- Al3.844 Fe1.558 Mg0.598 O14 Si2 -","1","0.5","","Koch-Mueller, M.; Kahlenberg, V.; Schmidt, C.; Wirth, R.","Location of (O H) groups and oxidation processes in triclinic chloritoid","Physics and Chemistry of Minerals (Germany)","2000","27","","703","712","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527069","3.972","","3.972","","20.34","","90","","90","","120","","277.907","","","","","","","","","","","","","3","R 3 m :H","R 3 -2""","160","","((Fe0.28 Ni0.28) Te0.44)13.6","","- Fe3.808 Ni3.808 Te5.984 -","- Fe3.789 Ni3.789 Te6 -","- Fe3.789 Ni3.789 Te6 -","1","0.0555556","","Akesson, G.; Rost, E.","The crystal structure of Fe0.28 Ni0.28 Te0.44","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","79","84","","","","","","","","","","","","","","","","","","","","","","has coordinates","148367","2020-10-21","18:00:00",""
"1527089","26.1998","","9.4652","","3.4641","","90","","90","","90","","859.05","","","","","","","","","","","","","2","P b a m","-P 2 2ab","55","","","","- Nb8 P5 -","- Nb8 P5 -","- Nb32 P20 -","4","0.5","","Anugul, S.; Pontchour, C.-O.; Rundqvist, S.","The crystal structure of Nb8 P5","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","26","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527118","4.804","","4.804","","3.837","","90","","90","","120","","76.688","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","Ce (Cu0.8 In1.2)","","- Ce Cu0.8 In1.2 -","- Ce Cu0.8 In1.2 -","- Ce Cu0.8 In1.2 -","1","0.0416667","","Baranyak, V.M.; Kal'ichak, Ya.M.","The Ce-Cu-In system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1235","1238","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527161","4.276","","4.276","","3.721","","90","","90","","120","","58.92","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Ge0.7 Pd0.3)2 Ho","","- Ge1.4 Ho Pd0.6 -","- Ge1.4 Ho Pd0.6 -","- Ge1.4 Ho Pd0.6 -","1","0.0416667","","Bodak, O.I.; Sologub, O.L.","New ternary holmium-palladium germanides","Neorganicheskie Materialy","1991","27","","2558","2560","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527365","4.163","","4.163","","4.193","","90","","90","","120","","62.932","","","","","","","","","","","","","3","P 6/m m m","-P 6 2","191","","(Co0.25 Ge0.75)2 Pr","","- Co0.5 Ge1.5 Pr -","- Co0.5 Ge1.5 Pr -","- Co0.5 Ge1.5 Pr -","1","0.0416667","","Fedyna, M.F.; Pecharskii, V.K.; Bodak, O.I.","Interactions in the Pr-Co-Ge system","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1092","1094","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527386","3.9743","","14.492","","13.73","","90","","90","","90","","790.787","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Hf Te5 -","- Hf Te5 -","- Hf4 Te20 -","4","0.25","","Furuseth, S.; Brattas, L.; Kjekshus, A.","The crystal structure of Hf Te5","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","2367","2374","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527640","6.815","","6.815","","12.506","","90","","90","","120","","503.015","","","","","","","","","","","","","2","P 63 c m","P 6c -2","185","","Ni5 As2","","- As2 Ni5 -","- As2 Ni5 -","- As12 Ni30 -","6","0.5","","Kjekshus, A.; Skaug, K.E.","On the crystal structure of Ni5 As2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","582","588","","","","","","","","","","","","","","","","","","","","","","has coordinates","149314","2020-10-21","18:00:00",""
"1527681","4.078","","9.93","","13.243","","90","","90","","90","","536.269","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Co2 Ge3 Sc3 -","- Co2 Ge3 Sc3 -","- Co8 Ge12 Sc12 -","4","0.25","","Kotur, B.Ya.; Andrusyak, R.I.","Interaction of scandium and germanium with cobalt and nickel","Neorganicheskie Materialy","1991","27","","1433","1439","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527768","5.003","","10.588","","23.635","","90","","98.61","","90","","1237.88","","","","","","","","","","","","","5","A 1 2/m 1","-A 2y","12","","Ba Te (S2 O3)2 (H2 O)1.26","","- Ba H2.52 O7.26 S4 Te -","- Ba H2.528 O7.264 S4 Te -","- Ba4 H10.112 O29.056 S16 Te4 -","4","0.5","","Maroy, K.","Refinement of the Crystal Structure of Monoclinic Barium Telluropentathionate Dihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","1695","1704","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1527873","8.88","","3.98","","9.48","","90","","117.4","","90","","297.459","","","","","","","","","","","","","3","P 1 2/m 1","-P 2y","10","","(N H4)3 Dy (S O3)3 H2 O","","- Dy N3 S3 -","- Dy H12 N3 S3 -","- Dy H12 N3 S3 -","1","0.25","","Niinisto, L.; Larsson, L.O.","On the structure of beta-Dy (N H4)3 (S O3)3 H2 O","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","2250","2252","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1528135","21.286","","21.286","","21.286","","90","","90","","90","","9644.55","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Cd23.77 Ga56.23 Na35 -","- Cd23.768 Ga56.232 Na34.98 -","- Cd95.072 Ga224.928 Na139.92 -","4","0.0208333","","Tillard-Charbonnel, M.; Belin, C.","Modelling of icosahedral frameworks of gallium: A new disordered intermetallic phase with sodium and cadmium, structure and bonding","Materials Research Bulletin","1992","27","","1277","1286","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528251","4.126","","4.126","","4.126","","90","","90","","90","","70.241","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Gd (Pd0.6 Pt0.4)3","","- Gd Pd1.8 Pt1.2 -","- Gd Pd1.8 Pt1.2 -","- Gd Pd1.8 Pt1.2 -","1","0.0208333","","Zhang, K.; Chen, L.","Room temperature and 700 deg. C isothermal sections of Gd-Pd-Pt (0-33 at.% Gd) phase diagram","Jinshu Xuebao","1991","27","","207","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529634","22","","22","","12.61","","90","","90","","120","","5285.56","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","Na15 Y1.44 (Si12 O36)","","- Na11.89 O36 Si12 Y1.44 -","- Na11.89 O36 Si12 Y1.44 -","- Na71.34 O216 Si72 Y8.64 -","6","0.166667","","Beyeler, H.U.; Hibma, T.","The sodium conductivity paths in the superionic conductors Na5 Re Si4 O12","Solid State Communications","1978","27","","641","643","","","","","","","","","","","","","","","","","","","","","","has coordinates","154111","2020-10-21","18:00:00",""
"1530061","7.158","","7.552","","16.014","","89.06","","104.32","","84.97","","834.894","","","","","","","","","","","","","8","P -1","-P 1","2","","(As1.47 Sb0.47) (Ti5.63 V2.11 Fe3.94 Al0.32) O23 (O H)","","- Al0.32 As1.47 Fe3.94 H O24 Sb0.47 Ti5.63 V2.11 -","- Al0.324 As1.474 Fe3.936 O24 Sb0.47 Ti5.628 V2.112 -","- Al0.648 As2.948 Fe7.872 O48 Sb0.94 Ti11.256 V4.224 -","2","1","","Harris, D.C.; Hoskins, B.F.; Grey, I.E.; Criddle, A.J.; Stanley, C.J.","Hemloite (As, Sb)2 (Ti, V, Fe, Al)12 O23 (O H): A new mineral from the Hemlo gold deposit, Hemlo, Ontario, and its crystal structure","Canadian Mineralogist","1989","27","","427","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530422","14.513","","9.641","","9.705","","90","","117.76","","90","","1201.63","","","","","","","","","","","","","4","C 1 m 1","C -2y","8","","U O2 B12 H12 (H2 O)11","","- B12 H34 O13 U -","- B12 O13 U -","- B24 O26 U2 -","2","0.5","","Mikhailov, Yu.N.; Kanishcheva, A.S.; Kuznetsov, N.T.; Zemskova, L.A.; Mistryukov, V.E.; Solntsev, K.A.","A Preliminary determination of the crystal structures of uranyl complexes with neutral ligands and closoborate anions (U O2 (C O (N H2)2)5 (B10 H10) (C O (N H2)2)2 and (U O2 (H2 O)5) (B12 H12) (H2 O)6","Zhurnal Neorganicheskoi Khimii","1982","27","","2343","2347","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530698","5.136","","5.136","","5.136","","90","","90","","90","","135.48","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Zr.8 Cd.2 O1.8","","- Cd0.2 O1.8 Zr0.8 -","- Cd0.2 O1.8 Zr0.8 -","- Cd0.8 O7.2 Zr3.2 -","4","0.0208333","","Sapon, S.N.; Nalbandyan, V.B.; Belyaev, I.N.; Lopatin, S.S.","Phase of fluorite type in the Cd O - Zr O2 system","Zhurnal Neorganicheskoi Khimii","1982","27","","1598","1599","","","","","","","","","","","","","","","","","","","","","","has coordinates","155894","2020-10-21","18:00:00",""
"1531032","7.07","","7.07","","22.75","","90","","90","","120","","984.806","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","K3 Rh (S C N)6","","- K3 Rh -","- K3 Rh -","- K6 Rh2 -","2","0.166667","","Zvonkova, Z.V.","The Crystal Structure of Rhodates. 8. The Crystal Structure of the Complex Rhodium Hexarhodanites","Zhurnal Fizicheskoi Khimii","1953","27","","100","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:09",""
"1532275","9.4761","","9.4761","","6.9484","","90","","90","","120","","540.349","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Na1.5 Sm8.5) (Si O4)6 F O","","- F Na1.5 O25 Si6 Sm8.5 -","- F Na1.5 O25 Si6 Sm8.5 -","- F Na1.5 O25 Si6 Sm8.5 -","1","0.0833333","","Toumi, M.; Smiri-Dogguy, L.; Bulou, A.","Structure cristalline et spectres Raman polarises de Na1.5 Sm8.5 (Si O4)6 F O","Annales de Chimie (Paris)","2002","27","","17","26","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1532814","5.4777","","5.4777","","5.1282","","90","","90","","120","","133.258","","","","","","","","","","","","","3","P 63","P 6c","173","","Mg (I O3)2","","- I2 Mg O6 -","- I2 Mg O6 -","- I2 Mg O6 -","1","0.166667","","Liang Jingkui; Yu Yu-De; Ding Shiling","The structure and phase transitions of magnesium iodate crystals","Wu Li Hsueh Pao (= Acta Physica Sinica)","1978","27","","710","722","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534323","9.37","","7.08","","3.59","","90","","90","","90","","238.159","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","","","- K2 Pt S2 -","- K2 Pt S2 -","- K4 Pt2 S4 -","2","0.125","","Bronger, W.; Guenther, O.","Darstellung und Struktur von K2 Pt S2 und Rb2 Pt S2","Journal of the Less-Common Metals","1972","27","","73","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1534324","9.87","","7.33","","3.64","","90","","90","","90","","263.343","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Rb2 Pt S2","","- Pt Rb2 S2 -","- Pt Rb2 S2 -","- Pt2 Rb4 S4 -","2","0.125","","Bronger, W.; Guenther, O.","Darstellung und Struktur von K2 Pt S2 und Rb2 Pt S2","Journal of the Less-Common Metals","1972","27","","73","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534694","9.845","","9.845","","7.359","","90","","90","","120","","617.705","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","Ca2 Ba3 (P O4)3 F","","- Ba3 Ca2 F O12 P3 -","- Ba3 Ca2 F O12 P3 -","- Ba6 Ca4 F2 O24 P6 -","2","0.166667","","Grechkin, S.V.; Viting, B.N.; Lazoryak, B.I.; Arkhangel'skii, I.V.","Interaction of substituted fluoroapatites with phosphoric acid","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1298","1301","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534828","10.305","","10.505","","8.671","","101.79","","113.42","","94.24","","830.495","","","","","","","","","","","","","5","P -1","-P 1","2","","Li Zn2 P3 O10 (H2 O)8","","- H16 Li O18 P3 Zn2 -","- Li O18 P3 Zn2 -","- Li2 O36 P6 Zn4 -","2","1","","Lyakhov, A.S.; Palkina, K.K.; Prodan, L.I.; Lyutsko, V.A.","Crystal structure of lithium zinc triphosphate octahydrate LiZn2P3O10*8H2O","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1014","1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534967","9.048","","9.048","","16.718","","90","","90","","120","","1185.28","","","","","","","","","","","","","3","P 63","P 6c","173","","Ga H3 (P O4)2 (H2 O)2","","- Ga O9 P2 -","- Ga O9 P2 -","- Ga6 O54 P12 -","6","1","","Mamedov, N.D.; Gasymov, V.A.; Mustafaev, N.M.; Tagiev, D.B.; Mamedov, H.S.","Hydrothermal synthesis and crystal structure of gallium and iron hydridophosphates","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","84","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535069","13.224","","6.597","","10.759","","90","","90","","90","","938.601","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","K Sb O (Ge O4)","","- Ge K O5 Sb -","- Ge K O5 Sb -","- Ge8 K8 O40 Sb8 -","8","2","","Belokoneva, E.L.; Mill', B.V.; Butashin, A.V.","Synthesis of germanates and silicates with the structure K Ti O P O4 and crystalline structure of K Sb O Ge O4","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1708","1713","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535720","9.168","","5.712","","14.72","","90","","105.79","","90","","741.764","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","K2 Sr P2 O7","","- K2 O7 P2 Sr -","- K2 O7 P2 Sr -","- K8 O28 P8 Sr4 -","4","1","","Trunov, V.K.; Oboznenko, Yu.V.; Sirotinkin, S.P.; Tskhelashvili, N.B.","Accurate definition of K2SrP2O7 crystal structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1993","1994","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535723","10.27","","5.867","","14.413","","90","","116.48","","90","","777.334","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Rb2 Sr (P2 O7)","","- O7 P2 Rb2 Sr -","- O7 P2 Rb2 Sr -","- O28 P8 Rb8 Sr4 -","4","0.5","","Trunov, V.K.; Oboznenko, Yu.V.; Sirotinkin, S.P.; Tskhelashvili, N.B.","Crystal structures of double diphosphates Rb2 Sr P2 O7 and Cs2 Sr P2 O7","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","2370","2374","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535726","10.528","","6.081","","14.766","","90","","118.34","","90","","832.029","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Cs2 Sr (P2 O7)","","- Cs2 O7 P2 Sr -","- Cs2 O7 P2 Sr -","- Cs8 O28 P8 Sr4 -","4","0.5","","Trunov, V.K.; Oboznenko, Yu.V.; Tskhelashvili, N.B.; Sirotinkin, S.P.","Crystal structures of double diphosphates Rb2 Sr P2 O7 and Cs2 Sr P2 O7","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","2370","2374","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535789","5.1598","","5.1598","","10.35","","90","","90","","90","","275.554","","","","","","","","","","","","","3","I -4 2 m","I -4 2","121","","Ni Si3 P4","","- Ni P4 Si3 -","- Ni P4 Si3 -","- Ni2 P8 Si6 -","2","0.125","","Il'nitskaya, O.N.; Bruskov, V.A.; Zavalii, P.Yu.; Kuz'ma, Yu.B.","New compound NiSi3P4 and its structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1311","1313","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536142","6.362","","6.362","","19.929","","90","","90","","120","","698.56","","","","","","","","","","","","","3","R 3 :H","R 3","146","","In4 (P2 Se6)3","","- In4 P6 Se18 -","- In3.996 P6 Se18 -","- In3.996 P6 Se18 -","1","0.111111","","Voroshilov, Yu.V.; Potorii, M.V.; Gebesh, V.Yu.","Phase equilibria in In-P-Se system and crystal structure of beta - In4 (P2 Se6)3","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","2495","2498","","","","","","","","","","","","","","","","","","","","","","has coordinates","163747","2020-10-21","18:00:00",""
"1536400","6.909","","12.314","","6.989","","90","","105.41","","90","","573.229","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Na (P O2 (N H)3 (C O)2)","","- C2 H3 N3 Na O4 P -","- C2 H3 N3 Na O4 P -","- C8 H12 N12 Na4 O16 P4 -","4","1","","Palkina, K.K.; Maksimova, S.I.; Chibiskova, N.T.; Neels, E.; Valis, B.","The structure of sodium and yttrium biureto(oxo,thio) phosphates","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","340","346","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536402","6.131","","6.883","","10.37","","87.39","","77.25","","77.37","","416.49","","","","","","","","","","","","","7","P -1","-P 1","2","","Na (P O S (N H)3 (C O)2) H2 O","","- C2 H5 N3 Na O4 P S -","- C2 H5 N3 Na O4 P S -","- C4 H10 N6 Na2 O8 P2 S2 -","2","1","","Palkina, K.K.; Maksimova, S.I.; Chibiskova, N.T.; Neels, E.; Valis, B.","The structure of sodium and yttrium biureto(oxo,thio) phosphates","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","340","346","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536404","7.738","","7.512","","6.706","","90","","90","","90","","389.805","","","","","","","","","","","","","4","P n a m","-P 2c 2n","62","","Li Nb Ge O5","","- Ge Li Nb O5 -","- Ge Li Nb O5 -","- Ge4 Li4 Nb4 O20 -","4","0.5","","Kaminskii, A.A.; Belokoneva, E.L.; Mill', B.V.; Butashin, A.V.","Accurate definition of structure and lasing properties of rhombic chromium containing LiNbGeO5 crystals","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1899","1904","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536405","10.54","","11.156","","16.199","","84.88","","78.23","","65.09","","1691.21","","","","","","","","","","","","","7","P -1","-P 1","2","","Y (P S2 (N H)3 (C O)2)3 (H2 O)12","","- C6 H33 N9 O18 P3 S6 Y -","- C6 H31 N9 O18 P3 S6 Y -","- C12 H62 N18 O36 P6 S12 Y2 -","2","1","","Palkina, K.K.; Neels, E.; Maksimova, S.I.; Chibiskova, N.T.; Valis, B.","The structure of sodium and yttrium biureto(oxo, tio) phosphates","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","340","346","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536408","7.157","","15.283","","9.281","","90","","97.29","","90","","1006.95","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Nd P O2 S2 (H2 O)5.5","","- H4 Nd O7.5 P S2 -","- H4 Nd O7.5 P S2 -","- H16 Nd4 O30 P4 S8 -","4","1","","Palkina, K.K.; Maksimova, S.I.; Chibiskova, N.T.; Tripol'skaya, T.A.; Volf, G.U.; Kuvshinova, T.B.","Crystal structures of lanthanum and neodymium dithiophosphates.","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1028","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536574","20.7572","","20.7572","","20.7572","","90","","90","","90","","8943.47","","","","","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","K10 Na ((As W9 O34)2 (Y (H2 O))3 (C O3)) (H2 O)19","","- C H44 As2 K10 Na O93 W18 Y3 -","- C As2 K10 Na O93 W18 Y3 -","- C4 As8 K40 Na4 O372 W72 Y12 -","4","0.333333","","Khoshnavazi, R.; Moaser, A.G.; Salimi, A.","Complexes with carbonate as a tridentate ligand: synthesis and characterization of sandwich-type polyoxometallates [(A-alfa-As W9 O34)2 (M O H2)3 (C O3)](11-) (M = Y(III), Yb(III) and Sm(III))","Polyhedron","2008","27","","1303","1309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536576","20.8529","","20.8529","","20.8529","","90","","90","","90","","9067.75","","","","","","","","","","","","","8","P 21 3","P 2ac 2ab 3","198","","K10 Na ((As W9 O34)2 (Sm (H2 O))3 (C O3)) (H2 O)22","","- C H50 As2 K10 Na O96 Sm3 W18 -","- C As2 K10.01 Na O95.99 Sm3 W18 -","- C4 As8 K40.04 Na4 O383.96 Sm12 W72 -","4","0.333333","","Khoshnavazi, R.; Salimi, A.; Moaser, A.G.","Complexes with carbonate as a tridentate ligand: synthesis and characterization of sandwich-type polyoxometallates [(A-alfa-As W9 O34)2 (M O H2)3 (C O3)](11-) (M = Y(III), Yb(III) and Sm(III))","Polyhedron","2008","27","","1303","1309","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536587","7.6072","","7.6072","","2.9274","","90","","90","","120","","146.711","","","","","","","","","","","","","4","P 63","P 6c","173","","Si5 Al O N7","","- Al N7 O Si5 -","- Al0.99 N7 O Si4.998 -","- Al0.99 N7 O Si4.998 -","1","0.166667","","Khvatinskaya, D.Ya.; Loryan, V.E.; Em, V.T.; Smirnov, K.L.","Neutronographic study of beta'-sialon structure","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","2124","2126","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536592","7.021","","12.49","","9.219","","90","","107.58","","90","","770.678","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Pr3 (Ge O4) (P O4) O","","- Ge O9 P Pr3 -","- Ge O9 P Pr3 -","- Ge4 O36 P4 Pr12 -","4","1","","Dzhurinskii, B.F.; Tananaev, I.V.; Prozorovskii, A.I.; Tselebrovskaya, E.G.","Lanthanoid germanophosphates","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","334","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536611","5.967","","5.967","","7.738","","90","","90","","120","","238.601","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","K2 Rb Tb (V O4)2","","- K2 O8 Rb Tb V2 -","- K2 O8 Rb Tb V2 -","- K2 O8 Rb Tb V2 -","1","0.0833333","","Efremov, V.A.; Mel'nikov, P.P.; Karril'o Eredero, H.D.; Trunov, V.K.","Potassium-rubidium rear-earth ternary vanadates and the study of K2RbTb(VO4)2 and K2RbGd(VO4)2 structures","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","88","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536614","5.971","","5.971","","7.722","","90","","90","","120","","238.427","","","","","","","","","","","","","5","P -3 m 1","-P 3 2""","164","","K2 Rb Gd (V O4)2","","- Gd K2 O8 Rb V2 -","- Gd K2 O8 Rb V2 -","- Gd K2 O8 Rb V2 -","1","0.0833333","","Efremov, V.A.; Mel'nikov, P.P.; Karril'o Eredero, H.D.; Trunov, V.K.","Potassium-rubidium rear-earth ternary vanadates and the study of K2RbTb(VO4)2 and K2RbGd(VO4)2 structures","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","88","91","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536667","8.3","","11.6","","8.9","","90","","90","","90","","856.892","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","K2 Hg Cl4","","- Cl4 Hg K2 -","- Cl4 Hg K2 -","- Cl16 Hg4 K8 -","4","0.5","","Kiriyama, Ryôiti; Ibamoto, Hideko","Dielectric behaviour of hydrated crystals. II. Potassium mercury(II) chloride monohydrate and ammonium mercury(II) chloride monohydrate","Bulletin of the Chemical Society of Japan","1954","27","6","317","322","10.1246/bcsj.27.317","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536897","7.39","","7.39","","7.39","","90","","90","","90","","403.583","","","","","","","","","","","","","4","I m -3","-I 2 2 3","204","","Cd Cu3 Ti4 O12","","- Cd Cu3 O12 Ti4 -","- Cd Cu3 O12 Ti4 -","- Cd2 Cu6 O24 Ti8 -","2","0.0416667","","Fesenko, E.G.; Razumovskaya, O.N.; Shuvaeva, V.A.; Bunina, O.A.; Gridneva, G.G.","The structure of CdCu3Ti4O12","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1991","1992","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1536984","9.396","","9.396","","8.706","","90","","90","","120","","665.634","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Sc4 Zr3 O12","","- O12 Sc4 Zr3 -","- O12 Sc4.003 Zr2.997 -","- O36 Sc12.009 Zr8.991 -","3","0.166667","","Red'ko, V.P.; Lopato, L.M.","Crystal structure of M4Zr3O12 and M4Hf3O12 compounds (M-rare earth)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1905","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","164907","2020-10-21","18:00:00",""
"1536988","9.636","","9.636","","8.99","","90","","90","","120","","722.909","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Lu4 Zr3 O12","","- Lu4 O12 Zr3 -","- Lu4.002 O12 Zr2.998 -","- Lu12.006 O36 Zr8.994 -","3","0.166667","","Red'ko, V.P.; Lopato, L.M.","Crystal structure of M4Zr3O12 and M4Hf3O12 compounds (M-rare earth)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1905","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","164911","2020-10-21","18:00:00",""
"1536991","9.654","","9.654","","9.021","","90","","90","","120","","728.115","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Yb4 Zr3 O12","","- O12 Yb4 Zr3 -","- O12 Yb4.002 Zr2.998 -","- O36 Yb12.006 Zr8.994 -","3","0.166667","","Red'ko, V.P.; Lopato, L.M.","Crystal structure of M4Zr3O12 and M4Hf3O12 compounds (M-rare earth)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1905","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","164915","2020-10-21","18:00:00",""
"1536994","9.677","","9.677","","9.042","","90","","90","","120","","733.291","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Tm4 Zr3 O12","","- O12 Tm4 Zr3 -","- O12 Tm4.002 Zr2.998 -","- O36 Tm12.006 Zr8.994 -","3","0.166667","","Red'ko, V.P.; Lopato, L.M.","Crystal structure of M4Zr3O12 and M4Hf3O12 compounds (M-rare earth)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1905","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","164919","2020-10-21","18:00:00",""
"1536997","9.698","","9.698","","9.054","","90","","90","","120","","737.455","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Er4 Zr3 O12","","- Er4 O12 Zr3 -","- Er4.002 O12 Zr2.998 -","- Er12.006 O36 Zr8.994 -","3","0.166667","","Red'ko, V.P.; Lopato, L.M.","Crystal structure of M4Zr3O12 and M4Hf3O12 compounds (M-rare earth)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1905","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","164923","2020-10-21","18:00:00",""
"1537000","9.738","","9.738","","9.115","","90","","90","","120","","748.56","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Y4 Zr3 O12","","- O12 Y4 Zr3 -","- O12 Y4.002 Zr2.998 -","- O36 Y12.006 Zr8.994 -","3","0.166667","","Red'ko, V.P.; Lopato, L.M.","Crystal structure of M4Zr3O12 and M4Hf3O12 compounds (M-rare earth)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1905","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","164928","2020-10-21","18:00:00",""
"1537002","9.3694","","9.3694","","8.692","","90","","90","","120","","660.806","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Sc4 Hf3 O12","","- Hf3 O12 Sc4 -","- Hf3 O12 Sc4 -","- Hf9 O36 Sc12 -","3","0.166667","","Red'ko, V.P.; Lopato, L.M.","Crystal structure of M4Zr3O12 and M4Hf3O12 compounds (M-rare earth)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1905","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","164932","2020-10-21","18:00:00",""
"1537004","9.60825","","9.60825","","8.981","","90","","90","","120","","718.032","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","Lu4 Hf3 O12","","- Hf3 Lu4 O12 -","- Hf2.998 Lu4.002 O12 -","- Hf8.994 Lu12.006 O36 -","3","0.166667","","Red'ko, V.P.; Lopato, L.M.","Crystal structure of M4Zr3O12 and M4Hf3O12 compounds (M-rare earth)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1991","27","","1905","1910","","","","","","","","","","","","","","","","","","","","","","has coordinates","164936","2020-10-21","18:00:00",""
"1537133","10.4732","","7.3876","","3.7152","","90","","90","","90","","287.452","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Ta1.17 Y2.83 O7.14","","- O7.14 Ta1.17 Y2.83 -","- O7.136 Ta1.172 Y2.828 -","- O14.272 Ta2.344 Y5.656 -","2","0.125","","Rossell, H.J.","Fluorite-related phases Ln3 M O7, Ln= Rare-earth, Y or Sc, M= Nb, Sb or Ta III. Structure of the non-stoichiometric Y3 Ta O7 phase","Journal of Solid State Chemistry","1979","27","","287","292","","","","","","","","","","","","","","","","","","","","","","has coordinates","165152","2020-10-21","18:00:00",""
"1537608","6.19","","6.19","","6.19","","90","","90","","90","","237.177","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Tm Sb","","- Sb Tm -","- Sb Tm -","- Sb4 Tm4 -","4","0.0208333","","Abdusalyamova, M.N.; Rakhmatov, O.I.; Chuiko, A.G.; Fazlyeva, N.D.","Phase diagramm of the thulium/antinony system","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1991","27","","1386","1388","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537658","5.348","","5.348","","5.348","","90","","90","","90","","152.959","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Lu S -","- Lu S -","- Lu4 S4 -","4","0.0208333","","Andreev, O.V.; Parshukov, N.N.","Lu - Lu2 S3 system","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1991","27","","2156","2159","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537686","6.029","","6.029","","8.616","","90","","90","","90","","313.182","","","","","","","","","","","","","4","I 4/m c m","-I 4 2c","140","","Ba Pb0.7 Bi0.3 O3","","- Ba Bi0.3 O3 Pb0.7 -","- Ba Bi0.3 O3 Pb0.7 -","- Ba4 Bi1.2 O12 Pb2.8 -","4","0.125","","Asano, H.; Endoh, Y.; Oda, M.; Hidaka, Y.; Izumi, F.; Ishigaki, T.; Watanabe, N.; Murakami, T.; Karahashi, K.","Neutron powder diffraction from polymorphs of Ba Pb0.75 Bi0.25 O3.","Japanese Journal of Applied Physics, Part 1","1988","27","","1638","1640","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537689","6.072","","6.055","","8.544","","90","","90","","90","","314.128","","","","","","","","","","","","","4","I m m a (c,a,b)","-I 2b 2 (z,x,y)","74","","Ba (Pb0.75 Bi0.25) O3","","- Ba Bi0.25 O3 Pb0.75 -","- Ba Bi0.25 O3 Pb0.75 -","- Ba4 Bi O12 Pb3 -","4","","","Asano, H.; Oda, M.; Watanabe, N.; Hidaka, Y.; Endoh, Y.; Ishigaki, T.; Izumi, F.; Karahashi, K.; Murakami, T.","Neutron powder diffraction from polymorphs of Ba Pb0.75 Bi0.25 O3.","Japanese Journal of Applied Physics, Part 1","1988","27","","1638","1640","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537706","4.137","","4.137","","4.137","","90","","90","","90","","70.804","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Nd Pd3 -","- Nd Pd3 -","- Nd Pd3 -","1","0.0208333","","Cheng, L.; Zhang, K.","Phase diagram of the Nd-Pd (0-50 at% Nd) binary system","Jinshu Xuebao","1991","27","","B17","B20","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537717","3.998","","3.998","","10.445","","90","","90","","90","","166.953","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Mn2 Si2 Th -","- Mn2 Si2 Th -","- Mn4 Si4 Th2 -","2","0.0625","","Ban, Z.; Omejec, L.; Szytula, A.; Tomkowicz, Z.","Magnetic properties and magnetic structure of Th Mn2 Si2 and Th Mn2 Si2","Physica Status Solidi, Sectio A: Applied Research","1975","27","","333","338","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537730","3.448","","3.448","","3.448","","90","","90","","90","","40.992","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Hg Mg -","- Hg Mg -","- Hg Mg -","1","0.0208333","","Claeson, T.; Luo, H.L.","Superconducting transition temperatures of mercury-alkaline earth metal compounds","Journal of Physics and Chemistry of Solids","1966","27","","1081","1085","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537815","7.382","","7.382","","7.382","","90","","90","","90","","402.274","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Hf3 Zn40 Zr17)0.4","","- Hf1.2 Zn16 Zr6.8 -","- Hf1.28 Zn16 Zr6.72 -","- Hf1.28 Zn16 Zr6.72 -","1","0.00520833","","Blythe, H.J.","Ferromagnetism in the system (Zr1-x Hfx)Zn2","Physics Letters A","1968","27","","42","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1538008","5.965","","5.965","","5.965","","90","","90","","90","","212.242","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Sm S","","- S Sm -","- S Sm -","- S4 Sm4 -","4","0.0208333","","Finkelstein, L.D.; Lobachevskaya, N.I.; Efremova, N.N.","Samarium sulfide**","Soviet Physics - Solid State (New York)","1985","27","","2224","2225","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538250","3.233","","3.233","","3.233","","90","","90","","90","","33.792","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Hf Ru -","- Hf Ru -","- Hf Ru -","1","0.0208333","","Gulamova, D.D.; Sokolovskaya, E.M.; Sokolova, I.G.; Raevskaya, M.V.; Litvak, F.S.","The interaction of the intermetallic compounds Ru Ti and Ru Hf","Moscow university chemistry bulletin","1972","27","","96","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538606","3.8226","","3.8788","","11.6307","","90","","90","","90","","172.45","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Y Ba2 Cu2.8 Ni0.2 O6.85","","- Ba2 Cu2.8 Ni0.2 O6.85 Y -","- Ba2 Cu2.8 Ni0.2 O6.84 Y -","- Ba2 Cu2.8 Ni0.2 O6.84 Y -","1","0.125","","Kajitani, T.; Kusaba, K.; Kikuchi, M.; Syono, Y.; Hirabayashi, M.","Crystal structures of Y Ba2 Cu3-s As O9-g (A = Ni, Zn and Co)","Japanese Journal of Applied Physics, Part 2","1988","27","","354","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538609","3.843","","3.887","","11.6618","","90","","90","","90","","174.201","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Y Ba2 Cu2.7 Zn0.3 O6.75","","- Ba2 Cu2.7 O6.75 Y Zn0.3 -","- Ba2 Cu2.7 O6.76 Y Zn0.3 -","- Ba2 Cu2.7 O6.76 Y Zn0.3 -","1","0.125","","Kajitani, T.; Hirabayashi, M.; Kikuchi, M.; Kusaba, K.; Syono, Y.","Crystal structures of Y Ba2 Cu3-s As O9-g (A = Ni, Zn and Co)","Japanese Journal of Applied Physics, Part 2","1988","27","","354","357","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538633","3.542","","3.542","","3.542","","90","","90","","90","","44.437","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ni3 Si -","- Ni3 Si -","- Ni3 Si -","1","0.0208333","","Kanematsu, K.","Stability of the Crystal Structure of (Fe, V)~3~M and (Fe, Ni)~3~M (M= Si, Ge, Sn) and its Analysis Based on Rigid Band Model","Transactions of the Japan Institute of Metals","1986","27","4","225","232","10.2320/matertrans1960.27.225","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538675","3.8931","","3.8307","","11.716","","90","","90","","90","","174.724","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Dy Ba2 Cu3 O6.84","","- Ba2 Cu3 Dy O6.84 -","- Ba2 Cu3 Dy O6.84 -","- Ba2 Cu3 Dy O6.84 -","1","0.125","","Machida, M.; Katsui, A.; Achiwa, N.; Shibuya, I.; Hikita, M.; Koyano, N.","Structural investigations on high-Tc superconducting untwinned Dy Ba2 Cu3 O7-y single crystal by X-Ray diffraction.","Japanese Journal of Applied Physics, Part 2","1988","27","","1866","1868","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538678","3.82","","3.88","","11.662","","90","","90","","90","","172.849","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Ba2 Y Cu3 O7","","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","- Ba2 Cu3 O7 Y -","1","0.125","","Kinoshita, K.; Matsuda, A.; Yamada, T.; Shibata, H.; Watanabe, T.; Ishii, T.","Crystal structure and superconductivity in Ba2 Y1-x Prx Cu3 O7-y","Japanese Journal of Applied Physics, Part 2","1988","27","","1642","1645","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538680","3.821","","3.884","","11.658","","90","","90","","90","","173.014","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Ba1.98 Y.91 Pr.11 Cu3 O7","","- Ba1.98 Cu3 O7 Pr0.11 Y0.91 -","- Ba1.98 Cu3 O7 Pr0.11 Y0.91 -","- Ba1.98 Cu3 O7 Pr0.11 Y0.91 -","1","0.125","","Kinoshita, K.; Matsuda, A.; Shibata, H.; Watanabe, T.; Ishii, T.; Yamada, T.","Crystal structure and superconductivity in Ba2 Y1-x Prx Cu3 O7-y","Japanese Journal of Applied Physics, Part 2","1988","27","","1642","1645","","","","","","","","","","","","","","","","","","","","","","has coordinates","167356","2020-10-21","18:00:00",""
"1538682","3.83","","3.887","","11.663","","90","","90","","90","","173.63","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Ba1.968 Y.716 Pr.316 Cu3 O7","","- Ba1.968 Cu3 O7 Pr0.316 Y0.716 -","- Ba1.968 Cu3 O7 Pr0.316 Y0.716 -","- Ba1.968 Cu3 O7 Pr0.316 Y0.716 -","1","0.125","","Kinoshita, K.; Matsuda, A.; Shibata, H.; Ishii, T.; Watanabe, T.; Yamada, T.","Crystal structure and superconductivity in Ba2 Y1-x Prx Cu3 O7-y","Japanese Journal of Applied Physics, Part 2","1988","27","","1642","1645","","","","","","","","","","","","","","","","","","","","","","has coordinates","167358","2020-10-21","18:00:00",""
"1538685","3.832","","3.891","","11.67","","90","","90","","90","","174.003","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Ba1.936 Y.632 Pr.432 Cu3 O7","","- Ba1.936 Cu3 O7 Pr0.432 Y0.632 -","- Ba1.936 Cu3 O7 Pr0.432 Y0.632 -","- Ba1.936 Cu3 O7 Pr0.432 Y0.632 -","1","0.125","","Kinoshita, K.; Matsuda, A.; Watanabe, T.; Ishii, T.; Shibata, H.; Yamada, T.","Crystal structure and superconductivity in Ba2 Y1-x Prx Cu3 O7-y","Japanese Journal of Applied Physics, Part 2","1988","27","","1642","1645","","","","","","","","","","","","","","","","","","","","","","has coordinates","167361","2020-10-21","18:00:00",""
"1538688","3.837","","3.895","","11.667","","90","","90","","90","","174.365","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Ba1.936 Y.532 Pr.532 Cu3 O7","","- Ba1.936 Cu3 O7 Pr0.532 Y0.532 -","- Ba1.936 Cu3 O7 Pr0.532 Y0.532 -","- Ba1.936 Cu3 O7 Pr0.532 Y0.532 -","1","0.125","","Kinoshita, K.; Matsuda, A.; Shibata, H.; Yamada, T.; Ishii, T.; Watanabe, T.","Crystal structure and superconductivity in Ba2 Y1-x Prx Cu3 O7-y","Japanese Journal of Applied Physics, Part 2","1988","27","","1642","1645","","","","","","","","","","","","","","","","","","","","","","has coordinates","167364","2020-10-21","18:00:00",""
"1538691","3.838","","3.9","","11.67","","90","","90","","90","","174.679","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Ba1.932 Y.434 Pr.634 Cu3 O7","","- Ba1.932 Cu3 O7 Pr0.634 Y0.434 -","- Ba1.932 Cu3 O7 Pr0.634 Y0.434 -","- Ba1.932 Cu3 O7 Pr0.634 Y0.434 -","1","0.125","","Kinoshita, K.; Matsuda, A.; Shibata, H.; Ishii, T.; Watanabe, T.; Yamada, T.","Crystal structure and superconductivity in Ba2 Y1-x Prx Cu3 O7-y","Japanese Journal of Applied Physics, Part 2","1988","27","","1642","1645","","","","","","","","","","","","","","","","","","","","","","has coordinates","167367","2020-10-21","18:00:00",""
"1538694","3.844","","3.904","","11.68","","90","","90","","90","","175.281","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Ba1.932 Y.334 Pr.734 Cu3 O7","","- Ba1.932 Cu3 O7 Pr0.734 Y0.334 -","- Ba1.932 Cu3 O7 Pr0.734 Y0.334 -","- Ba1.932 Cu3 O7 Pr0.734 Y0.334 -","1","0.125","","Kinoshita, K.; Matsuda, A.; Shibata, H.; Ishii, T.; Watanabe, T.; Yamada, T.","Crystal structure and superconductivity in Ba2 Y1-x Prx Cu3 O7-y","Japanese Journal of Applied Physics, Part 2","1988","27","","1642","1645","","","","","","","","","","","","","","","","","","","","","","has coordinates","167370","2020-10-21","18:00:00",""
"1538697","3.848","","3.904","","11.661","","90","","90","","90","","175.178","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Ba1.929 Y.236 Pr.835 Cu3 O7","","- Ba1.929 Cu3 O7 Pr0.835 Y0.236 -","- Ba1.9288 Cu3 O7 Pr0.8356 Y0.2356 -","- Ba1.9288 Cu3 O7 Pr0.8356 Y0.2356 -","1","0.125","","Kinoshita, K.; Matsuda, A.; Shibata, H.; Yamada, T.; Watanabe, T.; Ishii, T.","Crystal structure and superconductivity in Ba2 Y1-x Prx Cu3 O7-y","Japanese Journal of Applied Physics, Part 2","1988","27","","1642","1645","","","","","","","","","","","","","","","","","","","","","","has coordinates","167373","2020-10-21","18:00:00",""
"1538700","3.856","","3.904","","11.688","","90","","90","","90","","175.949","","","","","","","","","","","","","5","P m m m","-P 2 2","47","","Ba1.924 Y.138 Pr.938 Cu3 O7","","- Ba1.924 Cu3 O7 Pr0.938 Y0.138 -","- Ba1.924 Cu3 O7 Pr0.938 Y0.138 -","- Ba1.924 Cu3 O7 Pr0.938 Y0.138 -","1","0.125","","Kinoshita, K.; Matsuda, A.; Watanabe, T.; Shibata, H.; Yamada, T.; Ishii, T.","Crystal structure and superconductivity in Ba2 Y1-x Prx Cu3 O7-y","Japanese Journal of Applied Physics, Part 2","1988","27","","1642","1645","","","","","","","","","","","","","","","","","","","","","","has coordinates","167377","2020-10-21","18:00:00",""
"1538703","3.861","","3.908","","11.694","","90","","90","","90","","176.448","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Ba1.964 Pr1.036 Cu3 O7","","- Ba1.964 Cu3 O7 Pr1.036 -","- Ba1.964 Cu3 O7 Pr1.036 -","- Ba1.964 Cu3 O7 Pr1.036 -","1","0.125","","Kinoshita, K.; Matsuda, A.; Shibata, H.; Watanabe, T.; Ishii, T.; Yamada, T.","Crystal structure and superconductivity in Ba2 Y1-x Prx Cu3 O7-y","Japanese Journal of Applied Physics, Part 2","1988","27","","1642","1645","","","","","","","","","","","","","","","","","","","","","","has coordinates","167380","2020-10-21","18:00:00",""
"1538825","3.66","","3.66","","3.875","","90","","90","","120","","44.954","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","(Sc3 Si5)0.333","","- Sc0.999 Si1.665 -","- Sc Si1.665 -","- Sc Si1.665 -","1","0.0416667","","Kotur, B.Ya.; Ratush, G.M.","Isithermal section of the Sc-Hf-Si system at 1070 K","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1991","27","","422","425","","","","","","","","","","","","","","","","","","","","","","has coordinates","167515","2020-10-21","18:00:00",""
"1538938","3.9674","","3.9674","","12.052","","90","","90","","90","","189.702","","","","","","","","","","","","","5","P 4/m m m","-P 4 2","123","","La Ba2 Cu2 Ta O8","","- Ba2 Cu2 La O8 Ta -","- Ba2 Cu2 La O8 Ta -","- Ba2 Cu2 La O8 Ta -","1","0.0625","","Murayama, N.; Tsuzuki, A.; Sudo, E.; Kani, K.; Kawakami, S.; Awano, M.; Torii, Y.","Cation ordering in La Ba2 Cu2 Ta O8+y","Japanese Journal of Applied Physics, Part 2","1988","27","","1623","1625","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539121","6.372","","6.372","","3.98","","90","","90","","120","","139.948","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","Zr3 Cu4 Si2","","- Cu4 Si2 Zr3 -","- Cu4 Si2 Zr3 -","- Cu4 Si2 Zr3 -","1","0.0833333","","Sprenger, H.; Nickl, J.J.","Neue ternaere Uebergangsmetallsilizide und -Germanide vom Fe2 P-Typ: Zr3 Cu4 Si2, Zr3 Cu4 Ge2, Hf3 Cu4 Si2 und Hf3 Cu4 Ge2","Journal of the Less-Common Metals","1972","27","","163","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","167890","2020-10-21","18:00:00",""
"1539149","5.39","","5.39","","30.725","","90","","90","","90","","892.626","","","","","","","","","","","","","5","F m m m","-F 2 2","69","","Bi1.8 Ca1.2 Sr1.8 Cu2.2 O8.22","","- Bi1.8 Ca1.2 Cu2.2 O8.22 Sr1.8 -","- Bi1.8 Ca1.2 Cu2.2 O8.22 Sr1.8 -","- Bi7.2 Ca4.8 Cu8.8 O32.88 Sr7.2 -","4","0.125","","Sampathkumaran, E.V.; Shibuya, T.; Suzuki, A.; Kohn, K.; Tohdake, A.; Ishikawa, M.","Absence of solid solution of the type Y (Ba2-x Rex) Cu3 O7±s and its possible implications.","Japanese Journal of Applied Physics, Part 2","1988","27","","584","586","","","","","","","","","","","","","","","","","","","","","","has coordinates","167973","2020-10-21","18:00:00",""
"1539165","4.09","","4.09","","9.854","","90","","90","","90","","164.839","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Pd2 Yb Si2","","- Pd2 Si2 Yb -","- Pd2 Si2 Yb -","- Pd4 Si4 Yb2 -","2","0.0625","","Umarji, A.M.; Godart, C.; Gupta, L.C.; Vijayaraghavan, R.","Spin fluctuation effects in substituted Ce Ru2 Si2 and Yb Pd2 Si2 alloys","Pramana, Journal of Physics","1986","27","","321","329","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539218","7.703","","7.703","","7.703","","90","","90","","90","","457.067","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Os2 Th -","- Os2 Th -","- Os16 Th8 -","8","0.0416667","","Thomson, J.R.","Alloys of thorium with certain transition metals V. The Th Os2 - Th Ir2 pseudo-binary system and some additional results on the thorium-iridium system","Journal of the Less-Common Metals","1972","27","","293","296","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539418","5.996","","5.996","","5.996","","90","","90","","90","","215.568","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pb S -","- Pb S -","- Pb4 S4 -","4","0.0208333","","Skums, V.F.; Pink, R.L.; Allasov, M.R.","Solid solutions of the Pb Se - Pb S system at high pressures","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1991","27","","1336","1340","","","","","","","","","","","","","","","","","","","","","","has coordinates","301778","2025-08-18","15:17:10",""
"1539422","6.029","","6.029","","6.029","","90","","90","","90","","219.147","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Pb2 S Se -","- Pb2 S Se -","- Pb4 S2 Se2 -","2","0.0104167","","Skums, V.F.; Pink, R.L.; Allasov, M.R.","Solid solutions of the Pb Se - Pb S system at high pressures","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1991","27","","1336","1340","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540143","3.812","","3.877","","11.646","","90","","90","","90","","172.118","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Y Ba2 Cu3 O6.9","","- Ba2 Cu3 O6.9 Y -","- Ba2 Cu3 O6.9 Y -","- Ba2 Cu3 O6.9 Y -","1","0.125","","Ikeda, K.; Umezawa, K.; Nakata, M.; Ishihara, M.; Kumazawa, S.; Shibayama, T.; Imagawa, A.; Sugamata, T.; Momozawa, N.; Katoh, H.; Ishida, K.","X-ray powder diffraction study on the occupancy of oxygen atoms in the Y Ba2 Cu3 Ox compound","Japanese Journal of Applied Physics, Part 2","1988","27","","202","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540144","3.852","","3.852","","11.72","","90","","90","","90","","173.9","","","","","","","","","","","","","4","P 4/m m m","-P 4 2","123","","Y Ba2 Cu3 O6.4","","- Ba2 Cu3 O6.4 Y -","- Ba2 Cu3 O6.4 Y -","- Ba2 Cu3 O6.4 Y -","1","0.0625","","Ikeda, K.; Ishihara, M.; Nakata, M.; Umezawa, K.; Shibayama, T.; Kumazawa, S.; Imagawa, A.; Sugamata, T.; Momozawa, N.; Katoh, H.; Ishida, K.","X-ray powder diffraction study on the occupancy of oxygen atoms in the Y Ba2 Cu3 Ox compound","Japanese Journal of Applied Physics, Part 2","1988","27","","202","205","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540148","5.1598","","5.1598","","10.35","","90","","90","","90","","275.554","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ni Si3 P4","","- Ni P4 Si3 -","- Ni P4 Si3 -","- Ni2 P8 Si6 -","2","0.0625","","Il'nitskaya, O.N.; Bruskov, V.A.; Zavalii, P.Yu.; Kuz'ma, Yu.B.","New compound Ni Si3 P4 and its structure","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1991","27","","1108","1110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540204","4.97","","4.97","","4.97","","90","","90","","90","","122.763","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Sn V3 -","- Sn V3 -","- Sn2 V6 -","2","0.0416667","","Kanematsu, K.","Stability of the Crystal Structure of (Fe, V)~3~M and (Fe, Ni)~3~M (M= Si, Ge, Sn) and its Analysis Based on Rigid Band Model","Transactions of the Japan Institute of Metals","1986","27","4","225","232","10.2320/matertrans1960.27.225","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540232","3.023","","3.023","","3.023","","90","","90","","90","","27.626","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ti Zn3 -","- Ti Zn3 -","- Ti Zn3 -","1","0.0208333","","Laves, F.; Wallbaum, H.J.","Zur Kristallchemie von Titan-Legierungen","Naturwissenschaften","1939","27","","674","675","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540252","7.736","","7.736","","5.123","","90","","90","","90","","306.59","","","","","","","","","","","","","4","P -4 21 m","P -4 2ab","113","","Ca2 Al (Al Si O7)","","- Al2 Ca2 O7 Si -","- Al2 Ca2 O7 Si -","- Al4 Ca4 O14 Si2 -","2","0.25","","Kimata, M.; Saito, S.; Shimizu, M.","Refinement of the high-temperature crystal structure of gehlenite using a new radiative air-cooled heater","Transactions of the American Crystallographic Association","1991","27","","301","308","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540257","5.6608","","5.6608","","5.6608","","90","","90","","90","","181.398","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Al As -","- Al As -","- Al4 As4 -","4","0.0416667","","Leszczynski, M.; Ciepielewska, A.; Micovic, M.; Mendonca, C.A.C.; Ciepielewski, P.","Lattice constant of Al As","Crystal Research and Technology","1992","27","","97","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540259","5.6567","","5.6567","","5.6567","","90","","90","","90","","181.005","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Al As2 Ga -","- Al As2 Ga -","- Al2 As4 Ga2 -","2","0.0208333","","Leszczynski, M.; Micovic, M.; Mendonca, C.A.C.; Ciepielewska, A.; Ciepielewski, P.","Lattice constant of Al As","Crystal Research and Technology","1992","27","","97","100","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540781","5.3538","","5.4034","","13.1449","","90","","90","","90","","380.265","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","La2 Cu O3.97","","- Cu La2 O3.97 -","- Cu La2 O3.968 -","- Cu4 La8 O15.872 -","4","0.5","","Yamada, K.; Kudo, E.; Endoh, Y.; Hidaka, Y.; Tsuda, K.; Oda, M.; Tanaka, M.; Asano, H.; Kokusho, K.; Murakami, T.; Izumi, F.; Suzuki, M.","Determination of space group and refinement of structure parameters for La2 Cu O4-d crystals","Japanese Journal of Applied Physics, Part 1","1988","27","","1132","1137","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540874","3.329","","3.329","","24.98","","90","","90","","120","","239.746","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Al4 C3","","- C3 Al4 -","- C3 Al4 -","- C9 Al12 -","3","0.0833333","","von Stackelberg, M.; Schnorrenberg, E.","Die Struktur des Aluminiumcarbids","Zeitschrift fuer Physikalische Chemie, Abteilung B: Chemie der Elementarprozesse, Aufbau der Materie","1934","27","","37","49","","","","","","","","","","","","","","","","","","","","","","has coordinates","172039","2020-10-21","18:00:00",""
"1540889","3.338","","3.338","","5.299","","90","","90","","120","","51.133","","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","(Sc3 D)0.667","","- D0.667 Sc2.001 -","- D0.68 Sc2 -","- D0.68 Sc2 -","1","0.0833333","","Saw, C.K.; Beaudry, B.J.; Stassis, C.","Location of deuterium in alpha-scandium","Physical Review, Serie 3. B - Condensed Matter (18,1978-)","1983","27","","7013","7017","","","","","","","","","","","","","","","","","","","","","","has coordinates","172063","2020-10-21","18:00:00",""
"1541693","14.121","","14.121","","16.316","","90","","90","","120","","2817.57","","","","","","","","","","","","","5","P 63/m","-P 6c","176","","(Pb4 (O H)4 )3 (C O3) (Cl O4)10 (H2 O)6","","- C H24 Cl10 O61 Pb12 -","- C Cl10 O60.9998 Pb12 -","- C2 Cl20 O122 Pb24 -","2","0.166667","","Hong, S.H.; Olin, A.","On the crystal structure of (Pb4 (O H)4 )3 (C O3) (Cl O4)10 (H2 O)6","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","2309","2320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541737","11.8","","6.94","","11.25","","90","","109.15","","90","","870.304","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- B9 H15 -","- B9 H15 -","- B36 H60 -","4","1","","Dickerson, R.E.; Wheatley, P.J.; Howell, P.A.; Lipscomb, W.N.","Crystal and molecular structure of B9 H15","Journal of Chemical Physics","1957","27","","200","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1541843","11.543","","13.587","","6.847","","90","","90","","90","","1073.85","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Hf4 ((O H)7.44 (Cr O4)0.28) (Cr O4)4 (H2 O)1.72","","- Cr4.28 H10.88 Hf4 O26.28 -","- Cr4.28 Hf4 O26.28 -","- Cr8.56 Hf8 O52.56 -","2","0.25","","Hansson, M.; Mark, W.","The crystal structure of a basic hafnium chromate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","3467","3476","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541848","13.47","","8.5292","","9.7818","","90","","90","","90","","1123.81","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K3 (V O (C N)5)","","- C5 K3 N5 O V -","- C5 K3 N5 O V -","- C20 K12 N20 O4 V4 -","4","1","","Jagner, S.; Vannerberg, N.G.","The crystal structure of potassium oxopentacyanovanadate(IV), K3 (V O (C N)5)","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","3482","3498","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541861","11.629","","13.6534","","6.8818","","90","","90","","90","","1092.66","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Zr4 (O H)6.10 (Cr O4)4.95 (H2 O)0.6","","- Cr4.95 H7.3 O26.5 Zr4 -","- Cr4.95 O26.5 Zr4 -","- Cr9.9 O53 Zr8 -","2","0.25","","Mark, W.","The Crystal structure of Zr4 (O H)6 (Cr O4)5 H2 O","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","177","190","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541936","5.14829","","5.14829","","13.8631","","90","","90","","120","","318.212","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Li (Nb O3)","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Abrahams, S.C.; Hamilton, W.C.; Reddy, J.M.","Ferroelectric lithium niobate. 4. Single crystal neutron diffraction study at 24 C","Journal of Physics and Chemistry of Solids","1966","27","","1013","1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541937","5.185","","5.185","","13.87","","90","","90","","120","","322.927","","","","","","","","","","","","","3","R 3 c :H","R 3 -2""c","161","","Li (Nb O3)","","- Li Nb O3 -","- Li Nb O3 -","- Li6 Nb6 O18 -","6","0.333333","","Abrahams, S.C.; Reddy, J.M.; Levinstein, H.J.","Ferroelectric lithium niobate. 5. Polycrystal X-ray diffraction study between 24 and 1200 C","Journal of Physics and Chemistry of Solids","1966","27","","1019","1026","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542095","4.011","","4.011","","4.011","","90","","90","","90","","64.529","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Zr0.8 Yb0.2 F3.48","","- F3.48 Yb0.2 Zr0.8 -","- F3.48 Yb0.1998 Zr0.7998 -","- F3.48 Yb0.1998 Zr0.7998 -","1","0.0208333","","Tofield, B.C.; Poulain, M.; Lucas, J.","Non-stoichiometry in anion-excess Re O3 phases; the structure of Zr0.8 Yb0.2 F3.2 O0.3 (MX 3.5) by powder neutron diffraction","Journal of Solid State Chemistry","1979","27","","163","178","","","","","","","","","","","","","","","","","","","","","","has coordinates","174069","2020-10-21","18:00:00",""
"1542148","10.228","","9.15","","5.85","","90","","108.75","","90","","518.425","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Li0.38 Na0.62 (V O3)","","- Li0.38 Na0.62 O3 V -","- Li0.38 Na0.62 O3 V -","- Li3.04 Na4.96 O24 V8 -","8","1","","Ng, H.N.; Calvo, C.; Idler, K.L.","Crystallographic studies and structural systematics of the C2/c alkali metal metavanadates","Journal of Solid State Chemistry","1979","27","","357","366","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542149","10.349","","9.218","","5.862","","90","","108.47","","90","","530.412","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na0.71 Li0.29 V O3","","- Li0.29 Na0.71 O3 V -","- Li0.29 Na0.71 O3 V -","- Li2.32 Na5.68 O24 V8 -","8","1","","Ng, H.N.; Calvo, C.; Idler, K.L.","Crystallographic studies and structural systematics of the C2/c alkali metal metavanadates","Journal of Solid State Chemistry","1979","27","","357","366","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542150","10.446","","9.315","","5.869","","90","","108.57","","90","","541.347","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na0.84 Li0.16 V O3","","- Li0.16 Na0.84 O3 V -","- Li0.16 Na0.84 O3 V -","- Li1.28 Na6.72 O24 V8 -","8","1","","Ng, H.N.; Calvo, C.; Idler, K.L.","Crystallographic studies and structural systematics of the C2/c alkali metal metavanadates","Journal of Solid State Chemistry","1979","27","","357","366","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542164","12.034","","9.493","","8.531","","90","","90","","90","","974.571","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Ba3 Fe0.2 Si0.8 S5","","- Ba3 Fe0.2 S5 Si0.8 -","- Ba3 Fe0.2 S5 Si0.8 -","- Ba12 Fe0.8 S20 Si3.2 -","4","0.5","","Rendon-Diazmiron, L.E.; Steinfink, H.","The stabilization of tetravalent iron in tetrahedral sulfur coordination","Journal of Solid State Chemistry","1979","27","","261","262","","","","","","","","","","","","","","","","","","","","","","has coordinates","174188","2020-10-21","18:00:00",""
"1542228","10.2226","","10.2226","","7.2055","","90","","90","","120","","652.105","","","","","","","","","","","","","5","P -3","-P 3","147","","(N H4)9 (Fe (S O3)6)","","- Fe H36 N9 O18 S6 -","- Fe H36 N9 O18 S6 -","- Fe H36 N9 O18 S6 -","1","0.166667","","Larsson, L.O.; Niinisto, L.","The crystal structure of ammonium hexasulphitoferrate(III), (N H4)9 (Fe (S O)6)","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","859","867","","","","","","","","","","","","","","","","","","","","","","has coordinates","301779","2025-08-18","16:06:44",""
"1542237","10.179","","9.061","","5.845","","90","","100.13","","90","","530.692","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na0.5 Li0.5 V O3","","- Li0.5 Na0.5 O3 V -","- Li0.5 Na0.5 O3 V -","- Li4 Na4 O24 V8 -","8","1","","Ng, H.N.; Calvo, C.; Idler, K.L.","Crystallographic studies and structural systematics of the C2/c alkali metal metavanadates","Journal of Solid State Chemistry","1979","27","","357","366","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1542588","3.871","","3.871","","12.702","","90","","90","","90","","190.335","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- O4 Ru Sr2 -","- O4 Ru Sr2 -","- O8 Ru2 Sr4 -","2","0.0625","","Miwa, K.; Kagomiya, I.; Ohsato, H.; Sakai, H.; Maeda, Y.","Electrical properties of the Sr2 Ru1-x Tix O4 solid solutions","Journal of the European Ceramic Society","2007","27","","4287","4290","10.1016/j.jeurceramsoc.2007.02.146","","","","","","","","","","","","","","","","","","","","","has coordinates","177092","2020-10-21","18:00:00",""
"1545024","5.617","0.001","5.617","0.001","7.26","0.001","90","","90","","120","","198.37","0.06","","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Ba Na O4 P -","- Ba Na O4 P -","- Ba2 Na2 O8 P2 -","2","0.166667","","Launay, S.; Mahe, P.; Quarton, M.","Polymorphisme et structure cristalline du monophosphate de sodium et barium","Materials Research Bulletin","1992","27","","1347","1353","10.1016/0025-5408(92)90100-E","","x-ray","0.7107","MoKα","","","0.057","","","0.038","","","","","","","","","","","has coordinates","211137","2020-10-21","18:00:00",""
"1551713","16.198","0.003","17.01","0.003","21.6","0.004","102.476","0.002","111.983","0.002","101.738","0.003","5115.8","1.6","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H62 Cl6 O4 Zr2 -","- C50 H62 Cl6 O4 Zr2 -","- C200 H248 Cl24 O16 Zr8 -","4","2","","FLOGERAS, Jennifer C.; ALLAN, Christopher R.; VOGELS, Christopher M.; DECKEN, Andreas; WESTCOTT, Stephen A.","Synthesis and Molecular Structure of Di(3,5-di-tert-butylcatecholato)-dicyclopentadienylzirconium(IV)","X-ray Structure Analysis Online","2011","27","","45","","10.2116/xraystruct.27.45","","","0.71073","MoKα","","0.0723","0.0541","","","0.1246","0.1379","","","","","","1.102","","","","has coordinates,has disorder","216325","2020-10-21","18:00:00",""
"1551714","20.8501","0.001","17.2174","0.0009","15.063","0.0007","90","","119.049","0.003","90","","4727.2","0.4","296.1","","296","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H29 Cl Cu N5 O4.5 S -","- C20 H28 Cl Cu N5 O4.5 S -","- C160 H224 Cl8 Cu8 N40 O36 S8 -","8","1","","YOKOYAMA, Takashi; HASE, Shintaroh; YOSHISE, Masakazu; SHIOMI, Atsushi; SHIBA, Takuya; AKASHI, Haruo; ZENKI, Michio","Crystal Structure of Isothiocyanato-N,N′-diethyl-N,N′-bis(pyridine-2-ylmethyl)propanediaminecopper(II) Perchlorate","X-ray Structure Analysis Online","2011","27","","65","","10.2116/xraystruct.27.65","","","0.71069","MoKα","","","0.0498","","","","0.1189","","","","","","1.055","","","","has coordinates","216326","2020-10-21","18:00:00",""
"1551715","8.985","0.0009","15.767","0.0016","6.994","0.0006","90","","90","","90","","990.82","0.16","169","2","169","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C8 H12 I N -","- C8 H12 I N -","- C32 H48 I4 N4 -","4","0.25","","BUTTRUS, Nabel H.; TAQA, Amer A.; RUMADTHAN, Eman M. R.; JOHMOTO, Kohei; UEKUSA, Hidehiro","Crystal Structure of 1,3,5-Trimethylpyridinium iodide","X-ray Structure Analysis Online","2011","27","","19","","10.2116/xraystruct.27.19","","x-ray","0.71073","MoKα","","0.0224","0.0215","","","0.0522","0.0527","","","","","","1.065","","","","has coordinates","216327","2020-10-21","18:00:00",""
"1551716","11.6898","0.0018","29.013","0.005","17.856","0.003","90","","90.345","0.002","90","","6055.9","1.7","123","","123","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H84 B2 N4 Ni O6 -","- C66 H84 B2 N4 Ni O6 -","- C264 H336 B8 N16 Ni4 O24 -","4","1","","YAMAGUCHI, Ryo; TASAKI, Moriya; ASATO, Eiji; SAKIYAMA, Hiroshi","Synthesis and Crystal Structure of a Nickel(II) Complex with Bis(2-methoxyethyl)amine","X-ray Structure Analysis Online","2011","27","","5","","10.2116/xraystruct.27.5","","","0.71075","MoKα","","","0.0519","","","","0.1117","","","","","","1.07","","","","has coordinates,has disorder","301780","2025-08-18","21:43:24",""
"1551717","5.935","0.0006","10.185","0.0014","14.827","0.002","104.938","0.004","97.96","0.008","90.933","0.006","856.36","0.19","296","","296","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F N O4 S -","- C18 H16 F N O4 S -","- C36 H32 F2 N2 O8 S2 -","2","1","","PRASAD, T. N. Mahadeva; SADASHIVA, M. P.; THIPPESWAMY, G. B.; RAGHAVA, B.; LAKSHMINARAYANA, B. N.; SRIDHAR, M. A.; PRASAD, J. Shashidhara; RANGAPPA, K. S.","Synthesis and Structural Conformation of a Novel Isoxazole Derivative: 5-(3-Dimethylane-p-tolylsulfonyl)-propyl-3-(4-flurophenyl)-isoxazole","X-ray Structure Analysis Online","2011","27","","17","","10.2116/xraystruct.27.17","","","0.71073","MoKα","","0.0535","0.0433","","","0.1109","0.1184","","","","","","1.039","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551718","13.3489","0.0016","18.933","0.002","11.3211","0.0014","90","","101.735","0.002","90","","2801.4","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 Br O P2 -","- C33 H27 Br O P2 -","- C132 H108 Br4 O4 P8 -","4","1","","SABOUNCHEI, Seyyed Javad; SAMIEE, Sepideh; MORALES-MORALES, David; HERNANDEZ-ORTEGA, Simon","Crystal Structure of 4-Bromo benzoylmethylenediphenyldiphenylphosphinomethylphosphorane","X-ray Structure Analysis Online","2011","27","","3","","10.2116/xraystruct.27.3","","","0.71073","MoKα","","0.0711","0.0379","","","0.0682","0.0727","","","","","","0.887","","","","has coordinates,has disorder","301780","2025-08-18","21:43:24",""
"1551719","8.6189","0.0002","17.9591","0.0007","18.4009","0.0006","90","","102.256","0.0019","90","","2783.32","0.16","150","1","150","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Br2 Cu F6 N5 O2 P -","- C24 H26 Br2 Cu F6 N5 O2 P -","- C96 H104 Br8 Cu4 F24 N20 O8 P4 -","4","1","","GOLCHOUBIAN, Hamid; FATEH, Davod Sadeghi","Crystal and Molecular Structure of a Cu(II) Complex with Macrocyclic Ligand of 10,12-dibromo-6-ethylcyanide-3,6,14,18-tetraazapentaicosa-1(25), 8(24),10,12,13,19,21,23-octaene-24,25-diol","X-ray Structure Analysis Online","2011","27","","37","","10.2116/xraystruct.27.37","","","0.71073","MoKα","","0.0772","0.0448","","","0.099","0.1129","","","","","","1.021","","","","has coordinates,has disorder","216331","2020-10-21","18:00:00",""
"1551720","7.309","0.002","9.677","0.003","9.746","0.003","91.096","0.005","100.682","0.005","102.191","0.005","660.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","1-(7,8-Dimethyl-2-oxo-2H-chromen-4-ylmethyl)-pyrrolidine-2,5-dione","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C32 H30 N2 O8 -","2","1","","R., MARULASIDDAIAH; KULKARNI, Manohar V.; SHARMA, Deepak; GUPTA, Vivek K.","Crystal Structure of 1-(7,8-Dimethyl-2-oxo-2H-chromen-4-ylmethyl)-pyrrolidine-2,5-dione","X-ray Structure Analysis Online","2011","27","","41","","10.2116/xraystruct.27.41","","","0.71073","MoKα","","0.0779","0.0592","","","0.1519","0.167","","","","","","1.003","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551721","9.325","0.0007","11.0063","0.0008","10.5602","0.0007","90","","95.53","0.002","90","","1078.79","0.13","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- As0.48 H15 Na2 O11 P0.52 -","- As0.477 H15 Na2 O11 P0.5177 -","- As1.908 H60 Na8 O44 P2.0708 -","4","1","","ENNACEUR, Nasreddine; JARRAYA, Khaled; LEDOUX-RAK, Isabelle; GUIBLIN, Nicolas; MHIRI, Tahar","X-ray Single-Crystal Analysis of Na2H[(P0.52As0.48)O4]·7H2O","X-ray Structure Analysis Online","2011","27","","29","","10.2116/xraystruct.27.29","","","0.71073","MoKα","","0.0858","0.0542","","0.0941","0.0867","0.0803","","","","","","1.0918","","","","has coordinates","216333","2020-10-21","18:00:00",""
"1551722","10.1095","0.0003","10.4038","0.0003","11.9047","0.0003","90","","101.013","0.003","90","","1229.04","0.06","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","8-(6-Chloro-p yridin-3-ylmethyl)-2,6,7,8-tetrahydro- imidazo[2,1-c][1,2,6-Chloropyridyl-3-yl-4] triazin-3-one","","- C11 H12 Cl N5 O -","- C11 H12 Cl N5 O -","- C44 H48 Cl4 N20 O4 -","4","1","","KAPOOR, Kamini; GUPTA, Vivek K.; DESHMUKH, Madhukar B.; SRIPANAVAR, Chaten S.","Crystal Structure of 8-(6-Chloro-pyridin-3-ylmethyl)-2,6,7,8-tetrahydroimidazo[2,1-c][1,2,6-chloropyridyl-3-yl-4] triazin-3-one","X-ray Structure Analysis Online","2011","27","","55","","10.2116/xraystruct.27.55","","","0.71073","MoKα","","0.0465","0.0391","","","0.0942","0.0983","","","","","","1","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551723","7.6149","0.0005","12.2245","0.0009","24.2399","0.0017","84.575","0.001","87.967","0.001","86.767","0.001","2241.7","0.3","173","","173","","","","","","","","","5","P -1","-P 1","2","","Dimethyldodecylhexadecylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","","- C36 H64 N Ni S10 -","- C36 H64 N Ni S10 -","- C72 H128 N2 Ni2 S20 -","2","1","","DAI, Kotaro; KUSUNOKI, Satoe; HIROTA, Mami; TOMONO, Kazuaki; MIYAMURA, Kazuo","Crystal Structure of Dimethyldodecylhexadecylammonium bis(2-thioxo-1,3-dithiole-4,5-dithiolato)nickelate(III)","X-ray Structure Analysis Online","2011","27","","35","","10.2116/xraystruct.27.35","","","0.71073","MoKα","","0.0833","0.0554","","","0.161","0.1806","","","","","","1.015","","","","has coordinates","216335","2020-10-21","18:00:00",""
"1551724","30.2714","0.0005","9.26438","0.0001","22.0462","0.0004","90","","90","","90","","6182.76","0.17","93","","93","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C66 H82 B2 N6 Ni O6 -","- C66 H82 B2 N6 Ni O6 -","- C264 H328 B8 N24 Ni4 O24 -","4","1","","YAMAGUCHI, Ryo; YAMASAKI, Mikio; SAKIYAMA, Hiroshi","Synthesis and Crystal Structure of a Hexa-DMF Nickel(II) Complex that Belongs to an S6 Point Group","X-ray Structure Analysis Online","2011","27","","71","","10.2116/xraystruct.27.71","","","1.54187","CuKα","","","0.0371","","","","0.0909","","","","","","1.084","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551725","3.8458","0.0016","18.282","0.007","15.381","0.006","90","","92.21","0.008","90","","1080.6","0.7","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C52 H40 N8 O8 -","4","1","","ALIZADEH, Kamal; MORSALI, Ali","Crystal Structure of Pyridinyl-2-methylene-4-aminobenzoic acid","X-ray Structure Analysis Online","2011","27","","11","","10.2116/xraystruct.27.11","","","0.71073","MoKα","","0.079","0.0688","","","0.1406","0.1463","","","","","","1.176","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551726","4.8145","0.0003","12.6749","0.0009","26.2919","0.0019","90","","90","","90","","1604.42","0.19","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","bis(3,4-dihydroisoquinolin-2(1H)-yl)methanethione","","- C19 H20 N2 S -","- C19 H20 N2 S -","- C76 H80 N8 S4 -","4","0.5","","SRINIVASAN, N.; THIRUMARAN, S.; KAPOOR, Kamini; GUPTA, Vivek K.","Crystal Structure of Bis(3,4-dihydroisoquinolin-2(1H)-yl)methanethione","X-ray Structure Analysis Online","2011","27","","63","","10.2116/xraystruct.27.63","","","0.71073","MoKα","","0.046","0.0366","","","0.1164","0.1242","","","","","","1.015","","","","has coordinates","301780","2025-08-18","21:43:24",""
"1551727","12.4968","0.0012","9.7051","0.001","16.0975","0.0017","90","0.009","101.734","0.008","90","0.009","1911.5","0.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 N2 Ni O2 P2 S4 -","- C34 H46 N2 Ni O2 P2 S4 -","- C68 H92 N4 Ni2 O4 P4 S8 -","2","0.5","","SAGLAM, Ertugrul Gazi; ÇELIK, Ömer; IDE, Semra; YILMAZ, Hamza","Synthesis and Determination of Crystal and Molecular Structure of {Bispyridine-bis[4-methoxyphenyl(3-methylbutyl)dithiophosphinato]}nickel(II)","X-ray Structure Analysis Online","2011","27","","23","","10.2116/xraystruct.27.23","","","0.71073","MoKα","","0.0973","0.0441","","","0.1031","0.1205","","","","","","1.002","","","","has coordinates","216339","2020-10-21","18:00:00",""
"1551728","27.799","0.0013","27.799","","12.18","0.0008","90","","90","","90","","9412.5","0.8","293","2","293","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C27 H27 N3 O2 -","- C27 H27 N3 O2 -","- C432 H432 N48 O32 -","16","1","","NEETHA, S.; JOSHIPURA, D. N.; SRIDHAR, M. A.; PRASAD, J. Shashidhara; SHAH, Anamik","Synthesis and Crystal Structure Study of 4-Anilino-3-[(4-benzylpiperazin-1-yl)-methyl]-2H-chromen-2-one","X-ray Structure Analysis Online","2011","27","","1","","10.2116/xraystruct.27.1","","","0.71073","MoKα","","0.1007","0.0692","","","0.2093","0.2491","","","","","","1.06","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551729","16.275","0.003","16.275","0.003","23.955","0.006","90","","90","","90","","6345","2","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","[Rh2(form)4(CH3CN)]2H2O","","- C62 H67 N9 O2 Rh2 -","- C62 H63 N9 O2 Rh2 -","- C248 H252 N36 O8 Rh8 -","4","0.25","","HANDA, Makoto; YASUDA, Motoi; YOSHIOKA, Daisuke; IKEUE, Takahisa; MIKURIYA, Masahiro","Crystal Structure of Rhodium(II) Formamidinate Dimer with an Axial Acetonitrile Molecule","X-ray Structure Analysis Online","2011","27","","15","","10.2116/xraystruct.27.15","","","0.71073","MoKα","","0.0763","0.0437","","","0.1402","0.1605","","","","","","0.978","","","","has coordinates","216341","2020-10-21","18:00:00",""
"1551730","6.2405","0.0012","7.2635","0.0015","10.1","0.002","100.02","0.03","94.59","0.03","100.02","0.03","441.07","0.17","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 I2 N2 O8 -","- C12 H14 I2 N2 O8 -","- C12 H14 I2 N2 O8 -","1","0.5","","GHOLIZADEH, Mostafa; HOJATI, Seyyedeh Fatemeh; POURAYOUBI, Mehrdad; MALEKI, Behrooz; KIA, Mehdi; NOTASH, Behrouz","Synthesis and Crystal Structure of Bis pyridinium 1,2-Ethane periodate","X-ray Structure Analysis Online","2011","27","","47","","10.2116/xraystruct.27.47","","","0.71073","MoKα","","0.0772","0.0581","","","0.1732","0.2452","","","","","","1.164","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551731","16.355","0.0002","7.04","0.0001","9.678","0.0002","90","","126.137","0.001","90","","899.93","0.03","298","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- La0.5 Li0.5 O6 P2 -","- La0.5 Li0.5 O6 P2 -","- La4 Li4 O48 P16 -","8","1","","BOUJELBENE, Mohamed; MHIRI, Tahar","Synthesis and Crystal Structure of LiLaP4O12","X-ray Structure Analysis Online","2011","27","","21","","10.2116/xraystruct.27.21","","","0.71073","MoKα","","0.0443","0.0431","","0.0403","0.0399","0.0399","","","","","","0.9467","","","","has coordinates","216343","2020-10-21","18:00:00",""
"1551732","12.7153","0.0014","17.5474","0.0011","10.3409","0.0008","90","","91.582","0.007","90","","2306.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H66 Cl10 Co2 N6 -","- C24 H66 Cl10 Co2 N6 -","- C48 H132 Cl20 Co4 N12 -","2","0.5","","KESSENTINI, Abir; BELHOUCHET, Mohamed; MHIRI, Tahar","Synthesis and Crystal Structure of a New Organic-Inorganic Hybrid Compound: Tris(1,8-diammoniumoctane)bis(tetrachlorocobaltate) dichloride","X-ray Structure Analysis Online","2011","27","","31","","10.2116/xraystruct.27.31","","","0.71073","MoKα","","0.0956","0.0474","","","0.1115","0.132","","","","","","1","","","","has coordinates","216344","2020-10-21","18:00:00",""
"1551733","9.686","0.0009","12.665","0.0017","13.49","0.0018","68.808","0.004","81.149","0.007","79.863","0.007","1511.5","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O3 -","- C18 H18 O3 -","- C72 H72 O12 -","4","2","","G. B., Thippeswamy; D., Vijaykumar; T. N. Mahadeva, Prasad; B. S., Jayashree; B. N., Lakshminarayana; M. A., Sridhar; J. Shashidhara, Prasad","Synthesis and Crystal Structure of 3-(4-Ethylphenyl)-1-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one","X-ray Structure Analysis Online","2011","27","","39","","10.2116/xraystruct.27.39","","","0.71073","MoKα","","0.0816","0.06","","","0.173","0.1984","","","","","","1.049","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551734","10.2102","0.0003","10.3193","0.0004","11.204","0.0004","83.116","0.003","86.022","0.003","66.348","0.003","1073.23","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-(4-chlorophenyl)-1,4,5-triphenyl imidazole","","- C27 H19 Cl N2 -","- C27 H19 Cl N2 -","- C54 H38 Cl2 N4 -","2","1","","KAPOOR, Kamini; GUPTA, Vivek K.; GUPTA, Princy; PAUL, Satya","Crystal Structure of 2-(4-Chlorophenyl)-1,4,5-triphenyl-(1H)-imidazole","X-ray Structure Analysis Online","2011","27","","53","","10.2116/xraystruct.27.53","","","0.71073","MoKα","","0.0538","0.0406","","","0.1104","0.1192","","","","","","1.001","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551735","9.257","0.003","9.883","0.004","11.806","0.005","89.638","0.012","81.053","0.01","88.841","0.012","1066.7","0.7","93.1","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H24 Cl Cu N5 O4 S -","- C18 H24 Cl Cu N5 O4 S -","- C36 H48 Cl2 Cu2 N10 O8 S2 -","2","1","","YOKOYAMA, Takashi; YOSHISE, Masakazu; HASE, Shintaroh; KAWATE, Ayumi; AKASHI, Haruo; ZENKI, Michio","Crystal Structure of Isothiocyanato-N,N′-dimethyl-N,N′-bis(pyridine-2-ylmethyl)propane-1,3-diaminecopper(II) Perchlorate","X-ray Structure Analysis Online","2011","27","","51","","10.2116/xraystruct.27.51","","","0.7107","MoKα","","","0.0576","","","","0.1788","","","","","","1.132","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551736","6.493","0.005","11.56","0.006","13.384","0.008","90","","118.19","0.05","90","","885.4","1.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N2 O5 S -","- C6 H12 N2 O5 S -","- C24 H48 N8 O20 S4 -","4","1","","MAROUANI, Houda; RZAIGUI, Mohamed; AL-DEYAB, Salem S.","Synthesis and Crystal Structure of (3-NH3CH2C5H4NH)SO4·H2O","X-ray Structure Analysis Online","2011","27","","25","","10.2116/xraystruct.27.25","","","0.56083","AgKα","","0.1224","0.073","","","0.1775","0.208","","","","","","1.035","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551737","15.017","0.003","9.6038","0.0019","15.896","0.003","90","","113.712","0.003","90","","2099","0.7","198","1","198","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 B O2 -","- C23 H31 B O2 -","- C92 H124 B4 O8 -","4","1","","GEIER, Michael J.; VOGELS, Christopher M.; DECKEN, Andreas; WESTCOTT, Stephen A.","Synthesis and Molecular Structure of 4,6-Di-tert-butyl-2-mesitylbenzo-[d][1,3,2]dioxaborole","X-ray Structure Analysis Online","2011","27","","33","","10.2116/xraystruct.27.33","","x-ray","0.71073","MoKα","","0.0713","0.043","","","0.1032","0.1298","","","","","","1.062","","","","has coordinates,has disorder","301780","2025-08-18","21:43:25",""
"1551738","7.917","0.0006","10.7305","0.0006","10.4145","0.0008","90","","109.246","0.009","90","","835.3","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","5,10-dimethyl-1-hydroxy-3,11,13-tribromo -hexahydroazulino[6,7-b] furan-4,12-dione","","- C15 H17 Br3 O4 -","- C15 H17 Br3 O4 -","- C30 H34 Br6 O8 -","2","1","","KAPOOR, Kamini; GUPTA, Vivek K.; SHAH, Bhahwal A.; ANDOTRA, Samar S.; TANEJA, Subhash C.","Crystal Structure of 3,8-Dibromo-3-(bromomethyl)-3,3a,4,5,6,6a-hexahydro-6a-hydroxy-6,9a-dimethylazuleno[4,5-b]furan-2,9-dione—A Sesquiterpene Lactone","X-ray Structure Analysis Online","2011","27","","67","","10.2116/xraystruct.27.67","","","0.71073","MoKα","","0.0644","0.0479","","","0.1064","0.1131","","","","","","1.001","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551739","8.646","0.006","9.096","0.005","9.217","0.006","78.01","0.02","64.23","0.02","67.39","0.02","601.9","0.7","223.1","","223","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 N2 -","- C32 H26 N2 -","- C32 H26 N2 -","1","0.5","","IMAI, Kazunori; TAKAHASHI, Mai; ISHII, Rie; KOBAYASHI, Keiji","Crystal Structure of Benzene-Solvate of Bis(benzophenone) Azine: A Color Polymorph","X-ray Structure Analysis Online","2011","27","","75","","10.2116/xraystruct.27.75","","","0.71075","MoKα","","","0.0372","","","","0.1155","","","","","","0.961","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551740","12.2874","0.0004","12.2874","0.0004","10.8085","0.0005","90","","90","","120","","1413.24","0.09","183","2","183","2","","","","","","","","5","P -3","-P 3","147","","(tris(2-(3-methyl-2-oxy-benzylideneamino)ethyl)amine)terbium(III)","","- C30 H33 N4 O3 Tb -","- C30 H33 N4 O3 Tb -","- C60 H66 N8 O6 Tb2 -","2","0.333333","","NAGAHARA, Keiko; KANESATO, Masatoshi; SATO, Ken-ichi; GOTO, Midori","Synthesis and Crystal Structure of a Terbium(III) Complex of Tris(2-(2-hydroxy-3-methylbenzylideneamino)ethyl)amine","X-ray Structure Analysis Online","2011","27","","9","","10.2116/xraystruct.27.9","","","0.71073","MoKα","","0.0165","0.0161","","","0.0422","0.0426","","","","","","1.113","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551741","7.8862","0.0002","17.6554","0.0003","20.0326","0.0005","90","","90","","90","","2789.22","0.11","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","methyl -2-cyano-3,11-dioxo-urs-1,12-dien-24-oate","","- C32 H43 N O4 -","- C32 H43 N O4 -","- C128 H172 N4 O16 -","4","1","","KAPOOR, Kamini; GUPTA, Vivek K.; CHIB, Renu; SHAH, Bhahwal A.; TANEJA, Subhash C.","Crystal Structure of Methyl-2-cyano-3,11-dioxo-urs-1,12-dien-24-oate","X-ray Structure Analysis Online","2011","27","","43","","10.2116/xraystruct.27.43","","","0.71073","MoKα","","0.0468","0.0365","","","0.0784","0.0827","","","","","","1.001","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551742","8.946","0.0018","8.838","0.0018","13.85","0.003","90","","105.28","0.03","90","","1056.3","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H12 B N O5 S -","- C7 H12 B N O5 S -","- C28 H48 B4 N4 O20 S4 -","4","1","","IWATSUKI, Satoshi; KANAMITSU, Yuki; DANJO, Hiroshi; ISHIHARA, Koji","A Crystal Structure of Methanesulfonate Salt of 3-(N-Methyl)pyridinium Boronic Acid","X-ray Structure Analysis Online","2011","27","","61","","10.2116/xraystruct.27.61","","","0.7","synchrotron","","0.0414","0.0403","","","0.1124","0.1135","","","","","","1.053","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551743","7.889","0.003","34.808","0.014","12.983","0.005","90","","103.93","0.007","90","","3460","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H8 F20 O10 Rh2 -","- C30 H8 F20 O10 Rh2 -","- C120 H32 F80 O40 Rh8 -","4","1","","HANDA, Makoto; ISHITOBI, Yoshiyuki; MORIYAMA, Kazutaka; IKEUE, Takahisa; YOSHIOKA, Daisuke; MIKURIYA, Masahiro","Synthesis and Crystal Structure of Rhodium(II) Pentafluorobenzoate Dimer with Axial Methanol Molecules","X-ray Structure Analysis Online","2011","27","","49","","10.2116/xraystruct.27.49","","","0.71073","MoKα","","0.0419","0.0319","","","0.0718","0.0747","","","","","","1.034","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551744","14.033","0.004","15.602","0.005","7.603","0.004","101.72","0.03","105.19","0.03","64.82","0.02","1445.8","1","299.1","","299.1","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H36 O8 Si3 -","- C24 H36 O8 Si3 -","- C48 H72 O16 Si6 -","2","1","","KIKUCHI, Tohru","Synthesis and Crystal Structure of Trisiloxane-containing Alicyclic Tetracarboxylic Dianhydride","X-ray Structure Analysis Online","2011","27","","57","","10.2116/xraystruct.27.57","","","1.5418","CuKα","","","0.053","","","","0.03","","","","","","3.849","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551745","11.1593","0.0003","11.2247","0.0003","14.114","0.0004","73.333","0.003","88.286","0.002","82.767","0.002","1680.13","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Cocrystallization of two tautomers : 1-phenyl-3-(propan-2-yl) -1,2-dihydro-pyrazol-5-one and 1-phenyl-3-(propan-2-yl)- 1H-pyrazol-5-ol""","","- C36 H42 N6 O3 -","- C36 H42 N6 O3 -","- C72 H84 N12 O6 -","2","1","","KAPOOR, Kamini; GUPTA, Vivek K.; VYAS, Poorvesh M.; JOSHI, Mihir J.; TADA, Satish D.; SAROTHIA, Satish M.; JOSHI, H. S.","Cocrystallization of Two Tautomers: 1-Phenyl-3-(propan-2-yl)-1,2-dihydropyrazol-5-one and 1-Phenyl-3-(propan-2-yl)-1H-pyrazol-5-ol","X-ray Structure Analysis Online","2011","27","","59","","10.2116/xraystruct.27.59","","","0.71073","MoKα","","0.0556","0.0405","","","0.0966","0.1044","","","","","","1.016","","","","has coordinates","301780","2025-08-18","21:43:25",""
"1551746","16.52","0.007","7.088","0.004","9.831","0.004","90","","126.29","0.002","90","","927.9","0.8","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Ce Li O12 P4 -","- Ce Li O12 P4 -","- Ce4 Li4 O48 P16 -","4","0.5","","MESFAR, Mouna; ABDELHEDI, Mohamed; HERNANDEZ, Olivier; DAMMAK, Mohamed; FERID, Mokhtar","Synthesis and Crystal Structure of LiCe(PO3)4","X-ray Structure Analysis Online","2011","27","","13","","10.2116/xraystruct.27.13","","","0.71073","MoKα","","0.0114","0.0114","","0.0126","0.0126","0.0126","","","","","","1.0083","","","","has coordinates","216358","2020-10-21","18:00:00",""
"1556544","7.56183","0.00016","6.59134","0.00014","7.23629","0.00014","90","","90","","90","","360.675","0.013","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","Propionitrile","Propanenitrile","","- C3 H5 N -","- C3 H5 N -","- C12 H20 N4 -","4","0.5","","Brand, Helen E. A.; Gu, Qinfen; Kimpton, Justin A.; Auchettl, Rebecca; Ennis, Courtney","Crystal structure of propionitrile (CH~3~CH~2~CN) determined using synchrotron powder X-ray diffraction","Journal of Synchrotron Radiation","2020","27","1","212","216","10.1107/S1600577519015911","powder diffraction","x-ray","0.99998","synchrotron","","0.0151","","","","","","","","2.658","","","","","","","has coordinates","301780","2025-08-18","21:43:35",""
"1566322","7.9178","0.0001","8.1363","0.0001","20.5574","0.0003","90","","90","","90","","1324.34","0.03","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Br3 N Pb -","- C8 H12 Br3 N Pb -","- C32 H48 Br12 N4 Pb4 -","4","1","","Feng, Rui; Fan, Jia-Hui; Li, Kai; Li, Zhi-Gang; Qin, Yan; Li, Zi-Ying; Li, Wei; Bu, Xian-He","Temperature-Responsive Photoluminescence and Elastic Properties of 1D Lead Halide Perovskites R- and S-(Methylbenzylamine)PbBr3","Molecules","2022","27","3","728","","10.3390/molecules27030728","","x-ray","1.54184","CuKα","","0.0416","0.041","","","0.1051","0.1057","","","","","","1.044","","","","has coordinates","272807","2022-02-05","18:44:19",""
"1566323","7.8835","0.0003","8.068","0.0003","20.1237","0.0008","90","","90","","90","","1279.95","0.09","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H12 Br3 N Pb -","- C8 H12 Br3 N Pb -","- C32 H48 Br12 N4 Pb4 -","4","1","","Feng, Rui; Fan, Jia-Hui; Li, Kai; Li, Zhi-Gang; Qin, Yan; Li, Zi-Ying; Li, Wei; Bu, Xian-He","Temperature-Responsive Photoluminescence and Elastic Properties of 1D Lead Halide Perovskites R- and S-(Methylbenzylamine)PbBr3","Molecules","2022","27","3","728","","10.3390/molecules27030728","","x-ray","0.71073","MoKα","","0.0467","0.0449","","","0.1061","0.1071","","","","","","1.041","","","","has coordinates","272808","2022-02-05","18:44:35",""
"1567074","13.9156","0.0003","3.92009","0.00008","30.0833","0.0006","90","","102.038","0.001","90","","1604.97","0.06","99.99","","99.99","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 Br2 Cl2 N2 O6 Pd2 -","- C32 H30 Br2 Cl2 N2 O6 Pd2 -","- C64 H60 Br4 Cl4 N4 O12 Pd4 -","2","0.5","","Bermúdez-Puente, Brais; Adrio, Luis A.; Lucio-Martínez, Fátima; Reigosa, Francisco; Ortigueira, Juan M.; Vila, José M.","Imine Palladacycles: Synthesis, Structural Analysis and Application in Suzuki–Miyaura Cross Coupling in Semi-Aqueous Media","Molecules","2022","27","10","3146","","10.3390/molecules27103146","","","0.71073","MoKα","","0.0448","0.0283","","","0.0501","0.0541","","","","","","1.0355","","","","has coordinates","301209","2025-07-10","11:18:49",""
"1567075","8.7215","0.0001","10.1275","0.0001","12.8202","0.0001","101.771","0.001","103.693","0.001","90.843","0.001","1074.68","0.019","130.02","0.16","130.02","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C24 H21 Cl N4 O2 -","- C24 H21 Cl N4 O2 -","- C48 H42 Cl2 N8 O4 -","2","1","","Govdi, Anastasia I.; Tokareva, Polina V.; Rumyantsev, Andrey M.; Panov, Maxim S.; Stellmacher, Johannes; Alexiev, Ulrike; Danilkina, Natalia A.; Balova, Irina A.","4,5-Bis(arylethynyl)-1,2,3-triazoles-A New Class of Fluorescent Labels: Synthesis and Applications.","Molecules (Basel, Switzerland)","2022","27","10","3191","","10.3390/molecules27103191","","x-ray","1.54184","CuKα","","0.0374","0.0365","","","0.0955","0.0964","","","","","","1.054","","","","has coordinates","275855","2022-06-07","03:55:14",""
"1567213","6.6993","0.0009","9.945","0.003","15.797","0.003","90","","93.72","0.01","90","","1050.3","0.4","","","295","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tripotassium hydroxonium (mu-2-oxo)tetraperoxo-dioxo-divanadate(V)","","- H3 K3 O12 V2 -","- H6 K6 O24 V4 -","- H12 K12 O48 V8 -","2","0.5","","Lesnugin, A. V.; Rybakov, V. B.; Aslanov, L. A.; Anisimov, A. V.","Synthesis and Structure of Potassium Oxodiperoxovanadate","Russian Journal of Coordination Chemistry","2001","27","2","116","118","10.1023/A:1009579300359","","x-ray","","MoKα","","","0.043","","","","0.096","","","","","","","","","","has coordinates","276497","2022-07-02","20:43:53",""
"1567218","8.694","0.002","12.752","0.003","27.613","0.006","90","","90","","90","","3061.3","1.2","","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Di(mu2-chloro)-dichloro-bis(3-N,N-dimethylaminocaran-4-one-oxime)- dicopper(II)","Di(mu2-chloro)-dichloro-bis(4-(dimethylamino)-4,7,7-trimethylbicyclo [4.1.0]heptan-3-one oxime)-dicopper(II)","","- C24 H44 Cl4 Cu2 N4 O2 -","- C24 H2 Cl4 Cu2 N4 O2 -","- C96 H8 Cl16 Cu8 N16 O8 -","4","1","","Larionov, S. V.; Myachina, L. I.; Romanenko, G. V.; Tkachev, A. V.; Sheludyakova, L. A.; Ikorskii, V. N.; Boguslavskii, E. G.","Synthesis, Crystal and Molecular Structures, and Properties of Optically Active Copper(II) Complexes with 3-N,N-Dimethylaminocaran-4-one-oxime","Russian Journal of Coordination Chemistry","2001","27","6","423","432","10.1023/A:1011395910599","","x-ray","","MoKα","","","0.027","","","","0.035","","","","","","","","","","has coordinates","276544","2022-07-04","19:54:51",""
"1567219","22.423","0.003","22.423","0.003","20.454","0.004","90","","90","","90","","10284","3","","","295","","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","(mu3-Hydroxo)-(mu2-chloro)-tris(mu2-3-N,N-dimethylaminocaran-4-one-oxime- N,N',O)-tricopper(II) chloride octahydrate","(mu3-Hydroxo)-(mu3-chloro)-tris(mu2-4-(dimethylamino)-4,7,7-trimethylbicyclo [4.1.0]heptan-3-one oxime-N,N',O)-tricopper(II) chloride octahydrate","","- C36 H80 Cl2 Cu3 N6 O12 -","- C36 H Cl2 Cu3 N6 O12 -","- C288 H8 Cl16 Cu24 N48 O96 -","8","1","","Larionov, S. V.; Myachina, L. I.; Romanenko, G. V.; Tkachev, A. V.; Sheludyakova, L. A.; Ikorskii, V. N.; Boguslavskii, E. G.","Synthesis, Crystal and Molecular Structures, and Properties of Optically Active Copper(II) Complexes with 3-N,N-Dimethylaminocaran-4-one-oxime","Russian Journal of Coordination Chemistry","2001","27","6","423","432","10.1023/A:1011395910599","","x-ray","","MoKα","","","0.054","","","","0.151","","","","","","","","","","has coordinates","276544","2022-07-04","19:54:52",""
"1567220","9.04","0.002","12.744","0.004","16.14","0.004","80.22","0.02","88.87","0.02","78.67","0.02","1796.5","0.8","","","295","","","","","","","","","5","P -1","-P 1","2","","bis((1,4-Dioxanediyl-2,3-dithio)ethylene-dithiotetrathiafulvalene) tetraoxo-rhenium(VI)","","- C24 H20 O8 Re S16 -","- C24 O8 Re S16 -","- C48 O16 Re2 S32 -","2","1","","Gritsenko, V. V.; D'yachenko, O. A.; Kotov, A. I.; Buravov, L. I.; Mizuno, M.","Influence of Packing of Radical Cations on the Conductivity of the New Molecular Semiconductor (Doet)2ReO4","Russian Journal of Coordination Chemistry","2001","27","6","401","406","10.1023/A:1011339825620","","x-ray","","CuKα","","","0.089","","","","0.191","","","","","","","","","","has coordinates","276545","2022-07-04","20:26:57",""
"1567221","9.874","0.002","22.905","0.005","12.325","0.003","90","","112.03","0.03","90","","2584","1.1","","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nitrato-tetra-p-tolyl-antimony(V)","Nitrato-tetrakis(4-methylphenyl)antimony(V)","","- C28 H28 N O3 Sb -","- C28 N O3 Sb -","- C112 N4 O12 Sb4 -","4","1","","Sharutin, V. V.; Sharutina, O. K.; Bondar', E. A.; Pakusina, A. P.; Adonin, N. Yu.; Starichenko, V. F.; Fukin, G. K.; Zakharov, L. N.","Tetraphenylantimony Pentafluorobenzoate and Tetra-p-Tolylantimony Nitrate: Syntheses and Structures","Russian Journal of Coordination Chemistry","2001","27","6","393","397","10.1023/A:1011335724711","","x-ray","","MoKα","","","0.04","","","","0.101","","","","","","","","","","has coordinates","276567","2022-07-05","11:29:58",""
"1567222","16.175","0.003","8.765","0.002","20.42","0.004","90","","113.03","0.03","90","","2664.3","1.1","","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Pentafluorobenzoato-tetraphenyl-antimony(V)","","- C31 H20 F5 O2 Sb -","- C31 F5 O2 Sb -","- C124 F20 O8 Sb4 -","4","1","","Sharutin, V. V.; Sharutina, O. K.; Bondar', E. A.; Pakusina, A. P.; Adonin, N. Yu.; Starichenko, V. F.; Fukin, G. K.; Zakharov, L. N.","Tetraphenylantimony Pentafluorobenzoate and Tetra-p-Tolylantimony Nitrate: Syntheses and Structures","Russian Journal of Coordination Chemistry","2001","27","6","393","397","10.1023/A:1011335724711","","x-ray","","MoKα","","","0.035","","","","0.079","","","","","","","","","","has coordinates","276567","2022-07-05","11:29:59",""
"1567223","25.254","0.005","6.952","0.001","13.951","0.003","90","","116.41","0.03","90","","2193.7","0.9","","","295","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Tetraaqua-bis(2-formylphenoxyacetato)zinc(II) dihydrate","","- C18 H26 O14 Zn -","- C18 O14 Zn -","- C72 O56 Zn4 -","4","0.5","","Shova, S.; Novitsky, G.; Gdaniec, M.; Simonov, Yu. A.; Shafransky, V.; Turta, C.","Synthesis and Structure of Tetraaqua-bis(2-Formylphenoxyacetato)Zinc(II) Dihydrate","Russian Journal of Coordination Chemistry","2001","27","6","387","392","10.1023/A:1011383607873","","x-ray","","MoKα","","","0.034","","","","0.09","","","","","","","","","","has coordinates","276568","2022-07-05","12:43:23",""
"1567224","8.317","0.003","10.419","0.006","10.826","0.003","63.71","0.04","73.24","0.03","77.42","0.05","800.9","0.7","","","295","","","","","","","","","4","P -1","-P 1","2","","Triammonium pentadecafluorotetraantimonate(III)","","- F15 H12 N3 Sb4 -","- F15 H4 N3 Sb4 -","- F30 H8 N6 Sb8 -","2","1","","Udovenko, A. A.; Gorbunova, Yu. E.; Zemnukhova, L. A.; Mikhailov, Yu. N.; Davidovich, R. L.","Crystal Structures of Ammonium and Cesium Pentadecafluorotetraantimonates(III)","Russian Journal of Coordination Chemistry","2001","27","7","479","482","10.1023/A:1011385531672","","x-ray","","MoKα","","","0.051","","","","","","","","","","","","","","has coordinates","276569","2022-07-05","14:38:46",""
"1567225","8.079","0.002","19.116","0.008","8.162","0.002","90","","117.08","0.02","90","","1122.3","0.6","","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Tricesium pentadecafluorotetraantimonate(III)","","- Cs3 F15 Sb4 -","- Cs3 F15 Sb4 -","- Cs12 F60 Sb16 -","4","1","","Udovenko, A. A.; Gorbunova, Yu. E.; Zemnukhova, L. A.; Mikhailov, Yu. N.; Davidovich, R. L.","Crystal Structures of Ammonium and Cesium Pentadecafluorotetraantimonates(III)","Russian Journal of Coordination Chemistry","2001","27","7","479","482","10.1023/A:1011385531672","","x-ray","","MoKα","","","0.036","","","","","","","","","","","","","","has coordinates","276569","2022-07-05","14:39:06",""
"1567226","7.53","0.002","8.634","0.002","12.426","0.002","90","","102.46","0.03","90","","788.8","0.3","","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Rubidum dihydrogenphosphate(III)","Rubidium phosphite","","- H2 O3 P Rb -","- H2 O3 P Rb -","- H16 O24 P8 Rb8 -","8","2","","Kosterina, E. V.; Troyanov, S. I.; Kemnitz, E.; Aslanov, L. A.","Synthesis and Crystal Structure of Acid Phosphites RbH2PO3, CsH2PO3, and TlH2PO3","Russian Journal of Coordination Chemistry","2001","27","7","458","462","10.1023/A:1011377229855","","x-ray","","MoKα","","","0.041","","","","0.137","","","","","","","","","","has coordinates","276570","2022-07-05","20:52:04",""
"1567227","7.93","0.002","8.929","0.002","13.163","0.003","90","","104.84","0.03","90","","900.9","0.4","","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Caesium dihydrogenphosphate(III)","Caesium phosphite","","- Cs H2 O3 P -","- Cs H2 O3 P -","- Cs8 H16 O24 P8 -","8","2","","Kosterina, E. V.; Troyanov, S. I.; Kemnitz, E.; Aslanov, L. A.","Synthesis and Crystal Structure of Acid Phosphites RbH2PO3, CsH2PO3, and TlH2PO3","Russian Journal of Coordination Chemistry","2001","27","7","458","462","10.1023/A:1011377229855","","x-ray","","MoKα","","","0.024","","","","0.092","","","","","","","","","","has coordinates","276570","2022-07-05","20:52:04",""
"1567228","6.603","0.001","6.785","0.001","8.836","0.002","90","","90","","90","","395.86","0.12","","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","Tallium dihydrogenphosphate(III)","Tallium phosphite","","- H2 O3 P Tl -","- H2 O3 P Tl -","- H8 O12 P4 Tl4 -","4","1","","Kosterina, E. V.; Troyanov, S. I.; Kemnitz, E.; Aslanov, L. A.","Synthesis and Crystal Structure of Acid Phosphites RbH2PO3, CsH2PO3, and TlH2PO3","Russian Journal of Coordination Chemistry","2001","27","7","458","462","10.1023/A:1011377229855","","x-ray","","MoKα","","","0.035","","","","0.153","","","","","","","","","","has coordinates","276570","2022-07-05","20:52:05",""
"1567257","7.713","0.002","8.679","0.003","9.235","0.003","79.36","0.03","67.6","0.02","88.13","0.03","561.2","0.3","","","150","","","","","","","","","4","P -1","-P 1","2","Bis(rubidum hydrogenphosphonate) phosphonic acid","Bis(rubidium phosphite) phosphonic acid solvate","","- H7 O9 P3 Rb2 -","- H7 O9 P3 Rb2 -","- H14 O18 P6 Rb4 -","2","1","","Kosterina, E. V.; Troyanov, S. I.; Aslanov, L. A.; Kemnitz, E.","Superacid Univalent Metal Phosphites (MH2PO3)2 x H3PO3 (M = Rb, Tl(I)) and MH2PO3 x H3PO3 (M = K, Cs): Synthesis and Structure","Russian Journal of Coordination Chemistry","2001","27","8","527","536","10.1023/A:1011393810002","","x-ray","","MoKα","","","0.025","","","","0.065","","","","","","","","","","has coordinates","276728","2022-07-07","14:03:40",""
"1567258","7.69","0.003","8.494","0.003","9.292","0.004","79.48","0.03","66.72","0.03","85.45","0.03","548.1","0.4","","","150","","","","","","","","","4","P -1","-P 1","2","Bis(tallium hydrogen phosphonate(III)) phosphonic acid","Bis(Tallium phosphite) phosphonic acid solvate","","- H7 O9 P3 Tl2 -","- O9 P3 Tl2 -","- O18 P6 Tl4 -","2","1","","Kosterina, E. V.; Troyanov, S. I.; Aslanov, L. A.; Kemnitz, E.","Superacid Univalent Metal Phosphites (MH2PO3)2 · H3PO3 (M = Rb, Tl(I)) and MH2PO3 · H3PO3 (M = K, Cs): Synthesis and Structure","Russian Journal of Coordination Chemistry","2001","27","8","527","536","10.1023/A:1011393810002","","x-ray","","MoKα","","","0.049","","","","0.164","","","","","","","","","","has coordinates","276728","2022-07-07","14:03:41",""
"1567259","8.726","0.003","12.182","0.004","6.354","0.002","90","","104.14","0.03","90","","655","0.4","","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Potassium hydrogen phosphonate(III) phosphonic acid solvate","Potassium phosphite phosphonic acid solvate","","- H5 K O6 P2 -","- H5 K O6 P2 -","- H20 K4 O24 P8 -","4","1","","Kosterina, E. V.; Troyanov, S. I.; Aslanov, L. A.; Kemnitz, E.","Superacid Univalent Metal Phosphites (MH2PO3)2 · H3PO3 (M = Rb, Tl(I)) and MH2PO3 · H3PO3 (M = K, Cs): Synthesis and Structure","Russian Journal of Coordination Chemistry","2001","27","8","527","536","10.1023/A:1011393810002","","x-ray","","MoKα","","","0.024","","","","0.076","","","","","","","","","","has coordinates","276728","2022-07-07","14:03:41",""
"1567260","6.033","0.001","6.444","0.001","18.345","0.004","90","","90","","90","","713.2","0.2","","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","alpha(Potassium hydrogen phosphonate(III) phosphonic acid solvate)","Caesium phosphite phosphonic acid solvate","","- Cs H5 O6 P2 -","- Cs H5 O6 P2 -","- Cs4 H20 O24 P8 -","4","1","","Kosterina, E. V.; Troyanov, S. I.; Aslanov, L. A.; Kemnitz, E.","Superacid Univalent Metal Phosphites (MH2PO3)2 · H3PO3 (M = Rb, Tl(I)) and MH2PO3 · H3PO3 (M = K, Cs): Synthesis and Structure","Russian Journal of Coordination Chemistry","2001","27","8","527","536","10.1023/A:1011393810002","","x-ray","","MoKα","","","0.017","","","","0.055","","","","","","","","","","has coordinates","276728","2022-07-07","14:03:41",""
"1567261","9.99","0.003","12.197","0.004","6.866","0.002","90","","118.14","0.03","90","","737.7","0.4","","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","beta(Caesium hydrogen phosphonate(III) phosphonic acid solvate)","Caesium phosphite phosphonic acid solvate","","- Cs H5 O6 P2 -","- Cs H5 O6 P2 -","- Cs4 H20 O24 P8 -","4","0.5","","Kosterina, E. V.; Troyanov, S. I.; Aslanov, L. A.; Kemnitz, E.","Superacid Univalent Metal Phosphites (MH2PO3)2 · H3PO3 (M = Rb, Tl(I)) and MH2PO3 · H3PO3 (M = K, Cs): Synthesis and Structure","Russian Journal of Coordination Chemistry","2001","27","8","527","536","10.1023/A:1011393810002","","x-ray","","MoKα","","","0.018","","","","0.049","","","","","","","","","","has coordinates","276728","2022-07-07","14:03:41",""
"1567262","18.473","0.005","5.439","0.002","10.481","0.003","90","","99.73","0.03","90","","1037.9","0.6","","","295","","","","","","","","","4","C 1 c 1","C -2yc","9","","Caesium orthoperiodate","","- Cs H9 I2 O12 -","- Cs I2 O12 -","- Cs4 I8 O48 -","4","1","","Shilov, G. V.; Dobrovol'skii, Yu. A.; Chernyak, A. V.; Leonova, L. S.; Zyubina, T. S.; Romanchenko, E. V.; Atovmyan, L. O.","Crystal Structure and Properties of Acid Salt of Orthoperiodic Acid CsH9I2O12","Russian Journal of Coordination Chemistry","2001","27","11","786","790","10.1023/A:1012515005705","","x-ray","","MoKα","","","0.058","","","","","","","","","","","","","","has coordinates","276729","2022-07-07","20:18:09",""
"1567263","8.034","0.002","12.953","0.003","10.755","0.003","90","","90","","90","","1119.2","0.5","","","295","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Ammonium sodium hexafluorotitanate","","- F6 H4 N Na Ti -","- F6 N Na Ti -","- F48 N8 Na8 Ti8 -","8","1","","Popov, D. Yu.; Kavun, V. Ya.; Antokhina, T. F.; Gerasimenko, A. V.; Sergienko, V. I.","Crystal Structure of NH4NaTiF6 and Internal Mobility of the Complex Anions","Russian Journal of Coordination Chemistry","2001","27","12","831","834","10.1023/A:1013031126720","","x-ray","","MoKα","","","0.045","","","","0.04","","","","","","","","","","has coordinates","276730","2022-07-07","20:36:48",""
"1574143","16.3631","0.0003","10.4157","0.0002","17.9697","0.0003","90","","105.921","0.0007","90","","2945.15","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","BILASTINE HYDROCHLORIDE TRI HYDRATE","BILASTINE HYDROCHLORIDE TRI HYDRATE","","- C28 H44 Cl N3 O6 -","- C28 H44 Cl N3 O6 -","- C112 H176 Cl4 N12 O24 -","4","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.0785","0.0446","","","0.0907","0.1077","","","","","","1.025","","","","has coordinates","300721","2025-07-06","15:10:21",""
"1574144","5.8177","0.0003","12.2664","0.0006","38.8851","0.0018","90","","93.872","0.002","90","","2768.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BILASTINE HYDROBROMIDE MONO HYDRATE","BILASTINE HYDROBROMIDE MONO HYDRATE","","- C28 H40 Br N3 O4 -","- C28 H40 Br N3 O4 -","- C112 H160 Br4 N12 O16 -","4","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.041","0.0334","","","0.0753","0.0779","","","","","","1.059","","","","has coordinates","300721","2025-07-06","15:10:21",""
"1574145","8.733","0.002","10.044","0.003","34.856","0.01","90","","94.022","0.009","90","","3049.8","1.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","BILASTINE DI NITRATE MONO HYDRATE","BILASTINE DI NITRATE MONO HYDRATE","","- C28 H41 N5 O10 -","- C28 H41 N5 O10 -","- C112 H164 N20 O40 -","4","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.0835","0.0638","","","0.1693","0.1903","","","","","","1.015","","","","has coordinates,has disorder","300721","2025-07-06","15:10:21",""
"1574146","8.9527","0.0017","11.559","0.002","16.499","0.003","100.869","0.006","100.793","0.006","97.455","0.007","1622.8","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BILASTINE PHOSPHATE DIMETHANOLATE","BILASTINE PHOSPHATE DIMETHANOLATE","","- C30 H48 N3 O9 P -","- C30 H48 N3 O9 P -","- C60 H96 N6 O18 P2 -","2","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.1047","0.0777","","","0.2019","0.224","","","","","","1.045","","","","has coordinates,has disorder","300721","2025-07-06","15:10:21",""
"1574147","9.2405","0.0006","12.572","0.0008","13.1588","0.0008","90","","96.847","0.003","90","","1517.78","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","BILASTINE HYDROCHLORIDE TETRA HYDRATE","BILASTINE HYDROCHLORIDE TETRA HYDRATE","","- C28 H46 Cl N3 O7 -","- C28 H46 Cl N3 O7 -","- C56 H92 Cl2 N6 O14 -","2","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.0683","0.042","","","0.0938","0.1053","","","","","","1.031","","","","has coordinates","300721","2025-07-06","15:10:21",""
"1574148","11.8559","0.0011","34.775","0.003","8.4372","0.0008","90","","90.259","0.005","90","","3478.5","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","BILASTINE DI SULFATE TETRA HYDRATE","BILASTINE DI SULFATE TETRA HYDRATE","","- C28 H47 N3 O15 S2 -","- C28 H47 N3 O15 S2 -","- C112 H188 N12 O60 S8 -","4","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.122","0.0806","","","0.1755","0.1958","","","","","","1.103","","","","has coordinates,has disorder","300721","2025-07-06","15:10:21",""
"1574149","12.5749","0.0008","14.8653","0.0009","16.1941","0.001","82.653","0.002","80.4795","0.0019","76.8419","0.0019","2894.2","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","BILASTINE HYDROCHLORIDE PHOSPHATE TRI HYDRATE","BILASTINE HYDROCHLORIDE PHOSPHATE TRI HYDRATE","","- C56 H84 Cl N6 O13 P -","- C56 H84 Cl N6 O13 P -","- C112 H168 Cl2 N12 O26 P2 -","2","1","","Kanagavel, Manimurugan; Sparjan Samuvel, Rajan Marystella; Ramalingam, Vaikundamoorthy; Nechipadappu, Sunil Kumar","Structural landscape of new salts of the antihistamine drug bilastine: implications in physicochemical properties and anticancer activity against skin cancer","CrystEngComm","2025","27","15","2317","2332","10.1039/D4CE01303D","","","0.71073","MoKα","","0.0378","0.0314","","","0.0758","0.0803","","","","","","1.019","","","","has coordinates,has disorder","300721","2025-07-06","15:10:22",""
"1574556","11.3555","0.0004","9.1502","0.0003","7.1692","0.0004","90","","99.648","0.005","90","","734.38","0.06","293","2","293","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C14 H9 N3 O6 Se -","- C14 H9 N3 O6 Se -","- C28 H18 N6 O12 Se2 -","2","0.5","","Zhang, Yu; Sun, Xiaotian; Wang, Weizhou","Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds","CrystEngComm","2025","27","21","3439","3443","10.1039/D5CE00262A","","x-ray","0.71073","MoKα","","0.0504","0.0384","","","0.0772","0.0829","","","","","","1.0756","","","","has coordinates","300736","2025-07-06","15:14:27",""
"1574557","3.8144","0.0011","22.357","0.007","15.964","0.005","90","","93.581","0.009","90","","1358.7","0.7","300","","300","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 N2 O4 S Se -","- C12 H8 N2 O4 S Se -","- C48 H32 N8 O16 S4 Se4 -","4","1","","Zhang, Yu; Sun, Xiaotian; Wang, Weizhou","Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds","CrystEngComm","2025","27","21","3439","3443","10.1039/D5CE00262A","","x-ray","0.71073","MoKα","","0.0648","0.0441","","","0.0738","0.0791","","","","","","1.106","","","","has coordinates","300736","2025-07-06","15:14:27",""
"1574558","11.154","0.003","9.184","0.002","7.3865","0.0019","90","","99.177","0.009","90","","747","0.3","300","","300","","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C14 H9 Br N2 O4 Se -","- C14 H9 Br N2 O4 Se -","- C28 H18 Br2 N4 O8 Se2 -","2","0.5","","Zhang, Yu; Sun, Xiaotian; Wang, Weizhou","Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds","CrystEngComm","2025","27","21","3439","3443","10.1039/D5CE00262A","","x-ray","0.71073","MoKα","","0.086","0.0515","","","0.1006","0.1144","","","","","","1.027","","","","has coordinates","300736","2025-07-06","15:14:27",""
"1574559","6.8417","0.0007","12.3348","0.0011","8.5209","0.0007","90","","102.207","0.004","90","","702.83","0.11","300","","300","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C14 H11 N3 O4 Se -","- C14 H11 N3 O4 Se -","- C28 H22 N6 O8 Se2 -","2","0.5","","Zhang, Yu; Sun, Xiaotian; Wang, Weizhou","Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds","CrystEngComm","2025","27","21","3439","3443","10.1039/D5CE00262A","","x-ray","1.54178","CuKα","","0.0897","0.0821","","","0.2303","0.2443","","","","","","1.086","","","","has coordinates","300736","2025-07-06","15:14:27",""
"1574560","7.4596","0.0004","12.3445","0.0006","8.6525","0.0004","90","","112.155","0.006","90","","737.94","0.07","293","2","293","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C15 H12 N2 O4 Se -","- C15 H12 N2 O4 Se -","- C30 H24 N4 O8 Se2 -","2","0.5","","Zhang, Yu; Sun, Xiaotian; Wang, Weizhou","Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds","CrystEngComm","2025","27","21","3439","3443","10.1039/D5CE00262A","","x-ray","0.71073","MoKα","","0.0451","0.0346","","","0.0669","0.0702","","","","","","1.0417","","","","has coordinates,has disorder","300736","2025-07-06","15:14:27",""
"1574561","3.8992","0.0001","37.6399","0.0013","7.7471","0.0002","90","","95.702","0.003","90","","1131.38","0.06","293","","293","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C11 H6 Br N O4 Se0.5 -","- C11 H7 Br N O4 Se0.5 -","- C44 H28 Br4 N4 O16 Se2 -","4","1","","Zhang, Yu; Sun, Xiaotian; Wang, Weizhou","Strong supramolecular synthons assembled by hydrogen bonds and chalcogen bonds","CrystEngComm","2025","27","21","3439","3443","10.1039/D5CE00262A","","x-ray","0.71073","MoKα","","0.0702","0.0468","","","0.0946","0.1024","","","","","","1.059","","","","has coordinates","300736","2025-07-06","15:14:27",""
"1574562","14.6695","0.0005","8.4232","0.0002","19.7536","0.0006","90","","108.105","0.004","90","","2319.99","0.13","113.15","","113.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl N2 O7 -","- C24 H25 Cl N2 O7 -","- C96 H100 Cl4 N8 O28 -","4","1","","Hirayama, Yuto; Ito, Akitaka; Ochi, Rika","Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety","CrystEngComm","2025","27","20","3214","3218","10.1039/D5CE00252D","","x-ray","0.71073","MoKα","","0.0532","0.0384","","","0.0933","0.1","","","","","","1.055","","","","has coordinates","300718","2025-07-06","15:09:25",""
"1574563","12.0536","0.0004","14.4733","0.0005","17.464","0.0005","90.685","0.002","105.563","0.002","108.209","0.003","2772.69","0.17","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","","","- C49.75 H61.3 Cl3 K N4 O18.15 -","- C49.75 H61.3 Cl3 K N4 O18.15 -","- C99.5 H122.6 Cl6 K2 N8 O36.3 -","2","1","","Hirayama, Yuto; Ito, Akitaka; Ochi, Rika","Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety","CrystEngComm","2025","27","20","3214","3218","10.1039/D5CE00252D","","x-ray","0.71073","MoKα","","0.0941","0.0689","","","0.1897","0.203","","","","","","1.043","","","","has coordinates,has disorder","300718","2025-07-06","15:09:25",""
"1574564","15.1444","0.0004","23.9026","0.0005","15.8158","0.0006","90","","103.663","0.003","90","","5563.2","0.3","103.15","","103.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H56 Cl3 K N4 O19.6 -","- C48 H56 Cl3 K N4 O19.6 -","- C192 H224 Cl12 K4 N16 O78.4 -","4","1","","Hirayama, Yuto; Ito, Akitaka; Ochi, Rika","Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety","CrystEngComm","2025","27","20","3214","3218","10.1039/D5CE00252D","","x-ray","0.71073","MoKα","","0.0845","0.0549","","","0.1388","0.1561","","","","","","1.022","","","","has coordinates,has disorder","300718","2025-07-06","15:09:25",""
"1575111","12.6715","0.0006","14.3504","0.0007","14.5469","0.0009","90","","114.102","0.001","90","","2414.6","0.2","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C38 H62 N4 O15 Zn4 -","- C38 H60 N4 O15 Zn4 -","- C76 H120 N8 O30 Zn8 -","2","0.5","","Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik","The interplay between coordination and non-covalent interactions in three zinc coordination polymers","CrystEngComm","2025","27","33","5583","5594","10.1039/D5CE00505A","","","0.71073","MoKα","","0.0526","0.0429","","","0.0929","0.0963","","","","","","1.009","","","","has coordinates","302570","2025-10-06","08:25:49",""
"1575112","9.483","0.003","19.78","0.006","13.087","0.004","90","","108.89","0.01","90","","2322.6","1.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 Br N2 O7 Zn2 -","- C18 H27 Br N2 O7 Zn2 -","- C72 H108 Br4 N8 O28 Zn8 -","4","1","","Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik","The interplay between coordination and non-covalent interactions in three zinc coordination polymers","CrystEngComm","2025","27","33","5583","5594","10.1039/D5CE00505A","","","0.71073","MoKα","","0.0501","0.0378","","","0.0956","0.104","","","","","","1.02","","","","has coordinates,has disorder","302570","2025-10-06","08:25:50",""
"1575113","9.4593","0.0015","19.398","0.003","12.964","0.002","90","","108.532","0.005","90","","2255.4","0.6","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 Cl N2 O7 Zn2 -","- C18 H27 Cl N2 O7 Zn2 -","- C72 H108 Cl4 N8 O28 Zn8 -","4","1","","Halder, Biplab; Middya, Puspendu; Frontera, Antonio; Drew, Michael G. B.; Chattopadhyay, Shouvik","The interplay between coordination and non-covalent interactions in three zinc coordination polymers","CrystEngComm","2025","27","33","5583","5594","10.1039/D5CE00505A","","","0.71073","MoKα","","0.0786","0.0622","","","0.1706","0.1937","","","","","","1.054","","","","has coordinates,has disorder","302570","2025-10-06","08:25:50",""
"1575133","15.7315","0.0007","9.3263","0.0004","21.7128","0.0009","90","","90","","90","","3185.6","0.2","295.27","","295.27","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C176 H128 N16 -","8","1","","Wang, Han; Feng, Jing; Liu, Dan-Ni; Yu, Mingming; Xu, Ze-Feng; Li, Chuan-Ying","Intramolecular nitrogen insertion of oxime ester to access aminated N-heterocycles","Green Chemistry","2025","27","31","9445","9451","10.1039/D5GC02482J","","x-ray","1.54178","CuKα","","0.0685","0.0638","","","0.1833","0.1911","","","","","","1.072","","","","has coordinates","301610","2025-08-05","22:14:01",""
"1575134","12.5897","0.0006","7.6742","0.0003","15.4587","0.0006","90","","103.245","0.004","90","","1453.83","0.11","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N2 S -","- C19 H12 N2 S -","- C76 H48 N8 S4 -","4","1","","Wang, Han; Feng, Jing; Liu, Dan-Ni; Yu, Mingming; Xu, Ze-Feng; Li, Chuan-Ying","Intramolecular nitrogen insertion of oxime ester to access aminated N-heterocycles","Green Chemistry","2025","27","31","9445","9451","10.1039/D5GC02482J","","","1.54178","CuKα","","0.0606","0.052","","","0.1506","0.1603","","","","","","1.042","","","","has coordinates","301610","2025-08-05","22:14:01",""
"1575135","21.3069","0.0005","21.3069","0.0005","42.148","0.002","90","","90","","90","","19134.5","1.1","295","2","295","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C24 H48 Br4 Cs2 Ni O12 -","- C24 H48 Br4 Cs2 Ni O12 -","- C384 H768 Br64 Cs32 Ni16 O192 -","16","1","","Wang, Han; Feng, Jing; Liu, Dan-Ni; Yu, Mingming; Xu, Ze-Feng; Li, Chuan-Ying","Intramolecular nitrogen insertion of oxime ester to access aminated N-heterocycles","Green Chemistry","2025","27","31","9445","9451","10.1039/D5GC02482J","","","0.71073","MoKα","","0.0925","0.0447","","","0.0813","0.0915","","","","","","0.982","","","","has coordinates","301610","2025-08-05","22:14:01",""
"1575258","10.507","0.0001","10.7999","0.0002","22.6843","0.0003","90","","103.214","0.0007","90","","2505.94","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 N O11 -","- C28 H31 N O11 -","- C112 H124 N4 O44 -","4","1","","Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar","Influence of the crystallisation approach on multicomponent systems of palmatine chloride","CrystEngComm","2025","27","35","5901","5917","10.1039/D5CE00441A","","","0.71073","MoKα","","0.0904","0.0426","","","0.1035","0.1173","","","","","","1.013","","","","has coordinates","302583","2025-10-06","08:31:58",""
"1575259","24.428","0.003","13.7192","0.0016","22.38","0.003","90","","90.459","0.004","90","","7500","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C90 H80 N2 O21 S -","- C90 H80 N2 O21 S -","- C360 H320 N8 O84 S4 -","4","1","","Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar","Influence of the crystallisation approach on multicomponent systems of palmatine chloride","CrystEngComm","2025","27","35","5901","5917","10.1039/D5CE00441A","","","0.71073","MoKα","","0.194","0.0674","","","0.1637","0.2391","","","","","","1.022","","","","has coordinates,has disorder","302583","2025-10-06","08:31:59",""
"1575260","8.3964","0.0002","28.9669","0.0005","11.1056","0.0002","90","","103.121","0.001","90","","2630.56","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H30 Cl N O9 -","- C28 H30 Cl N O9 -","- C112 H120 Cl4 N4 O36 -","4","1","","Surampudi, Anuja Venkata Sai Durga; Prasad, Sai Ram; Swain, Debasish; Soujanya, Yarasi; Ramakrishna, Sistla; Balasubramanian, Sridhar","Influence of the crystallisation approach on multicomponent systems of palmatine chloride","CrystEngComm","2025","27","35","5901","5917","10.1039/D5CE00441A","","","0.71073","MoKα","","0.1313","0.0672","","","0.1441","0.179","","","","","","1.044","","","","has coordinates","302583","2025-10-06","08:32:02",""
"1575370","9.6872","0.0007","15.0069","0.0008","18.0085","0.0011","90","","90","","90","","2618","0.3","273","","273","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N5 O4 -","- C23 H32 F3 N5 O4 -","- C92 H128 F12 N20 O16 -","4","1","","Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong","Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir","CrystEngComm","2025","27","36","6009","6018","10.1039/D5CE00705D","","","0.71073","MoKα","","0.2279","0.0828","","","0.1812","0.2493","","","","","","0.998","","","","has coordinates","302578","2025-10-06","08:29:04",""
"1575371","9.2453","0.0005","15.1879","0.0008","18.1544","0.0008","90","","90","","90","","2549.2","0.2","268","","268","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N5 O4 -","- C23 H32 F3 N5 O4 -","- C92 H128 F12 N20 O16 -","4","1","","Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong","Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir","CrystEngComm","2025","27","36","6009","6018","10.1039/D5CE00705D","","","0.71073","MoKα","","0.1331","0.0737","","","0.1255","0.152","","","","","","1.104","","","","has coordinates","302578","2025-10-06","08:29:04",""
"1575372","9.2125","0.0004","15.0829","0.0006","18.0498","0.0005","90","","90","","90","","2508.04","0.16","173","","173","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N5 O4 -","- C23 H32 F3 N5 O4 -","- C92 H128 F12 N20 O16 -","4","1","","Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong","Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir","CrystEngComm","2025","27","36","6009","6018","10.1039/D5CE00705D","","","0.71073","MoKα","","0.0837","0.055","","","0.0981","0.1107","","","","","","1.111","","","","has coordinates","302578","2025-10-06","08:29:04",""
"1575373","9.6828","0.0005","15.0274","0.0008","18.0229","0.0007","90","","90","","90","","2622.5","0.2","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N5 O4 -","- C23 H32 F3 N5 O4 -","- C92 H128 F12 N20 O16 -","4","1","","Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong","Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir","CrystEngComm","2025","27","36","6009","6018","10.1039/D5CE00705D","","","0.71073","MoKα","","0.1649","0.0983","","","0.1914","0.2243","","","","","","1.11","","","","has coordinates","302578","2025-10-06","08:29:04",""
"1575374","9.2308","0.0005","15.1453","0.0007","18.117","0.0008","90","","90","","90","","2532.8","0.2","223","","223","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H32 F3 N5 O4 -","- C23 H32 F3 N5 O4 -","- C92 H128 F12 N20 O16 -","4","1","","Shi, Dier; Liu, Jiyong; Liu, Shuna; Wang, Yu; Yu, Kaxi; Hu, Xiurong","Reversible single-crystal-to-single-crystal phase transition of nirmatrelvir","CrystEngComm","2025","27","36","6009","6018","10.1039/D5CE00705D","","","0.71073","MoKα","","0.1116","0.0731","","","0.1164","0.1317","","","","","","1.128","","","","has coordinates","302578","2025-10-06","08:29:04",""
"1575375","25.5409","0.0013","13.6195","0.0007","17.9158","0.0009","90","","91.346","0.002","90","","6230.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C221 H233 Co12 N23 O79 -","- C221 H233 Co12 N23 O79 -","- C221 H233 Co12 N23 O79 -","1","0.25","","Singh, Reetika; Singh, Udai P.; Verma, Pankaj; Kashyap, Sujata; Butcher, Ray J.; Ghosh, Chandrachur; Roy, Partha","Co/Zn metal–organic frameworks with an anthracene-based ligand: cell imaging and catalytic studies","CrystEngComm","2025","27","34","5714","5734","10.1039/D5CE00291E","","","0.71073","MoKα","","0.0872","0.0661","","","0.17","0.1851","","","","","","1.037","","","","has coordinates,has disorder","302589","2025-10-06","08:33:33",""
"1575376","16.284","0.003","15.365","0.003","25.03","0.004","90","","104.932","0.005","90","","6051.1","1.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H62 N6 O18 Zn3 -","- C60 H62 N6 O18 Zn3 -","- C240 H248 N24 O72 Zn12 -","4","1","","Singh, Reetika; Singh, Udai P.; Verma, Pankaj; Kashyap, Sujata; Butcher, Ray J.; Ghosh, Chandrachur; Roy, Partha","Co/Zn metal–organic frameworks with an anthracene-based ligand: cell imaging and catalytic studies","CrystEngComm","2025","27","34","5714","5734","10.1039/D5CE00291E","","","0.71073","MoKα","","0.1238","0.0637","","","0.1445","0.1798","","","","","","1.031","","","","has coordinates,has disorder","302589","2025-10-06","08:33:35",""
"1575411","13.6984","0.0002","13.7841","0.0002","14.6009","0.0002","85.913","0.001","71.484","0.001","79.521","0.001","2570.36","0.07","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H13.6 Cl0.8 F4.8 P0.8 S2 -","- C24.4 H13.6 Cl0.8 F4.8 P0.8 S2 -","- C122 H68 Cl4 F24 P4 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","","1.54184","CuKα","","0.0857","0.0686","","","0.1915","0.2038","","","","","","1.038","","","","has coordinates,has disorder","302595","2025-10-06","08:35:44",""
"1575412","13.754","0.0002","13.8852","0.0002","14.6689","0.0003","71.394","0.002","86.012","0.001","79.459","0.001","2610.01","0.08","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H13.6 Cl0.8 F4.8 P0.79 S2 -","- C24.4 H13.6 Cl0.8 F4.8 P0.8 S2 -","- C122 H68 Cl4 F24 P4 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","","1.54184","CuKα","","0.1079","0.0837","","","0.2374","0.2592","","","","","","1.057","","","","has coordinates,has disorder","302595","2025-10-06","08:35:44",""
"1575413","10.363","0.0005","10.4488","0.0005","15.7822","0.0007","101.434","0.004","108.011","0.004","101.058","0.004","1533.07","0.14","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15.33 Cl1.33 O2.67 S2 -","- C26 H15.3333 Cl1.33333 O2.66667 S2 -","- C78 H46 Cl4 O8 S6 -","3","1.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0776","0.0661","","","0.1854","0.1989","","","","","","1.108","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575414","13.6133","0.0003","14.2244","0.0003","14.7406","0.0005","70.481","0.003","86.305","0.002","79.14","0.002","2642.16","0.13","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 Br0.4 F4.8 P0.8 S2 -","- C24.4 H14 Br0.4 F4.8 P0.8 S2 -","- C122 H70 Br2 F24 P4 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","","1.54184","CuKα","","0.1158","0.0859","","","0.2478","0.2778","","","","","","1.068","","","","has coordinates","302595","2025-10-06","08:35:45",""
"1575415","10.4433","0.0003","10.5181","0.0004","15.794","0.0005","101.595","0.003","107.772","0.003","101.056","0.003","1557.65","0.1","200","","200","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15.33 Cl1.33 O2.67 S2 -","- C26 H15.3333 Cl1.33333 O2.66667 S2 -","- C78 H46 Cl4 O8 S6 -","3","1.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0922","0.0787","","","0.2179","0.2347","","","","","","1.062","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575416","13.6644","0.0003","13.9317","0.0004","14.6414","0.0005","70.477","0.003","85.804","0.002","78.781","0.002","2576.71","0.14","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 As0.8 Cl0.4 F4.8 S2 -","- C24.4 H14 As0.8 Cl0.4 F4.8 S2 -","- C122 H70 As4 Cl2 F24 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0804","0.072","","","0.2013","0.2062","","","","","","1.09","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575417","13.5769","0.0001","14.0578","0.0002","14.6788","0.0002","70.715","0.001","85.976","0.001","79.057","0.001","2596.24","0.06","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C61 H35 Br F12 P2 S5 -","- C61 H35 Br F12 P2 S5 -","- C122 H70 Br2 F24 P4 S10 -","2","1","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","","1.54184","CuKα","","0.0768","0.0684","","","0.1906","0.199","","","","","","1.025","","","","has coordinates","302595","2025-10-06","08:35:45",""
"1575418","13.5317","0.0002","13.9267","0.0002","14.6385","0.0003","70.766","0.002","85.742","0.001","79.027","0.001","2556.85","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 Br0.4 F4.8 P0.8 S2 -","- C24.4 H14 Br0.4 F4.8 P0.8 S2 -","- C122 H70 Br2 F24 P4 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","","1.54184","CuKα","","0.0594","0.0487","","","0.1295","0.1375","","","","","","1.045","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575419","10.5374","0.0002","10.58339","0.00018","15.829","0.0003","101.905","0.0016","107.322","0.0019","101.385","0.0016","1584.41","0.06","300","","300","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H15.33 Cl1.33 O2.67 S2 -","- C26 H15.3333 Cl1.33333 O2.66667 S2 -","- C78 H46 Cl4 O8 S6 -","3","1.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0964","0.0847","","","0.2427","0.2568","","","","","","1.103","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575420","10.5925","0.0003","10.7783","0.0003","15.8611","0.0005","103.313","0.002","105.912","0.003","102.66","0.003","1615.72","0.1","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15.33 Cl0.67 F4 P0.67 S2 -","- C26 H15.3333 Cl0.666667 F4 P0.666667 S2 -","- C78 H46 Cl2 F12 P2 S6 -","3","1.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0746","0.0606","","","0.1578","0.1672","","","","","","1.049","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575421","10.5204","0.0003","10.7353","0.0002","15.743","0.0005","103.036","0.002","105.912","0.003","102.613","0.002","1589.57","0.09","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15.33 Cl0.67 F4 P0.67 S2 -","- C26 H15.3333 Cl0.666667 F4 P0.666667 S2 -","- C78 H46 Cl2 F12 P2 S6 -","3","1.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0959","0.0742","","","0.1584","0.1685","","","","","","1.115","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575422","10.6725","0.0002","10.8448","0.0002","15.9759","0.0003","103.766","0.001","105.661","0.002","103.1","0.001","1643.51","0.06","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H15.33 Cl0.67 F4 P0.67 S2 -","- C26 H15.3333 Cl0.666667 F4 P0.666667 S2 -","- C78 H46 Cl2 F12 P2 S6 -","3","1.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0713","0.053","","","0.1279","0.1379","","","","","","1.047","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575423","13.6803","0.0004","14.078","0.0004","14.7274","0.0005","70.167","0.003","85.807","0.003","78.842","0.002","2617.61","0.15","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 As0.8 Cl0.4 F4.8 S2 -","- C24.4 H14 As0.8 Cl0.4 F4.8 S2 -","- C122 H70 As4 Cl2 F24 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0747","0.0604","","","0.155","0.1631","","","","","","1.056","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575424","13.6804","0.0003","14.2592","0.0004","14.8005","0.0004","69.962","0.002","85.719","0.002","78.822","0.002","2660.82","0.12","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 As0.8 Cl0.4 F4.8 S2 -","- C24.4 H14 As0.8 Cl0.4 F4.8 S2 -","- C122 H70 As4 Cl2 F24 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.096","0.0779","","","0.1991","0.2093","","","","","","1.107","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575425","13.7529","0.0003","14.0651","0.0003","14.7342","0.0003","71.18","0.002","86.156","0.002","79.453","0.002","2652.07","0.1","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H13.56 Cl0.8 F4.8 P0.8 S2 -","- C24.4 H13.56 Cl0.8 F4.8 P0.8 S2 -","- C122 H67.8 Cl4 F24 P4 S10 -","5","2.5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","","1.54184","CuKα","","0.1161","0.0888","","","0.2599","0.2843","","","","","","1.053","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575426","14.7753","0.0004","17.2538","0.0004","21.4333","0.0005","89.627","0.002","73.391","0.002","84.665","0.002","5212.2","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 Cl0.4 F4.8 S2 Sb0.8 -","- C24.4 H14 Cl0.4 F4.8 S2 Sb0.8 -","- C244 H140 Cl4 F48 S20 Sb8 -","10","5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.091","0.065","","","0.1688","0.1899","","","","","","1.021","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575427","14.8806","0.0002","17.3774","0.0001","21.5631","0.0002","88.976","0.001","72.889","0.001","84.464","0.001","5303.93","0.1","200","","200","","","","","","","","","6","P -1","-P 1","2","","","","- C122 H70 Cl2 F24 S10 Sb4 -","- C122 H70 Cl2 F24 S10 Sb4 -","- C244 H140 Cl4 F48 S20 Sb8 -","2","1","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.0921","0.0845","","","0.2311","0.2369","","","","","","1.095","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575428","14.9609","0.0003","17.5144","0.0002","21.7009","0.0005","88.523","0.002","72.579","0.002","84.107","0.001","5396.74","0.19","300","","300","","","","","","","","","6","P -1","-P 1","2","","","","- C24.4 H14 Cl0.4 F4.8 S2 Sb0.8 -","- C24.4 H14 Cl0.4 F4.8 S2 Sb0.8 -","- C244 H140 Cl4 F48 S20 Sb8 -","10","5","","Dhara, Barun; Bulgarevich, Kirill; Takimiya, Kazuo","Radical cation salts of dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene: characteristic crystal structures and properties","CrystEngComm","2025","27","38","6333","6340","10.1039/D5CE00680E","","x-ray","1.54184","CuKα","","0.1027","0.0848","","","0.2025","0.2142","","","","","","1.113","","","","has coordinates,has disorder","302595","2025-10-06","08:35:45",""
"1575429","6.8429","0.0006","12.8769","0.0012","17.6451","0.0016","106.325","0.004","99.108","0.004","96.639","0.005","1452.1","0.2","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H28 N2 O4 -","- C40 H28 N2 O4 -","- C80 H56 N4 O8 -","2","1","","Feiler, Torvid; Emmerling, Franziska; Bhattacharya, Biswajit","Sustainable mechanochemical approach for the selective synthesis of multicomponent organic solids: real-time in situ insights","CrystEngComm","2025","27","37","6184","6192","10.1039/D5CE00663E","","","0.71073","MoKα","","0.1666","0.0868","","","0.1593","0.1858","","","","","","1.029","","","","has coordinates","302565","2025-10-06","08:24:04",""
"1575430","23.3375","0.0012","10.3912","0.0005","12.0372","0.0006","90","","95.933","0.002","90","","2903.4","0.3","150.01","","150.01","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 N O2 -","- C20 H14 N O2 -","- C160 H112 N8 O16 -","8","1","","Feiler, Torvid; Emmerling, Franziska; Bhattacharya, Biswajit","Sustainable mechanochemical approach for the selective synthesis of multicomponent organic solids: real-time in situ insights","CrystEngComm","2025","27","37","6184","6192","10.1039/D5CE00663E","","","0.71073","MoKα","","0.0513","0.0444","","","0.1223","0.1279","","","","","","1.082","","","","has coordinates","302565","2025-10-06","08:24:04",""
"1575431","8.7484","0.0006","13.5215","0.0011","13.7453","0.0011","73.799","0.002","75.94","0.002","81.67","0.002","1509.4","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H26 F2 N3 -","- C40 H26 F2 N3 -","- C80 H52 F4 N6 -","2","1","","Usman, Rabia; Jiang, Zhouyu; Kuznetsov, Aleksey; Henidi, Hanan A.; Altamimi, Abeer A.; Bin-Jumah, May Nasser; Alghamdi, Mutaz; Khan, Arshad","Donor–acceptor architecture dictates emission properties: enhanced solid-state fluorescence in carbazole-based charge transfer cocrystals","CrystEngComm","2025","27","38","6303","6313","10.1039/D5CE00619H","","","0.71073","MoKα","","0.1441","0.0637","","","0.1269","0.164","","","","","","1.041","","","","has coordinates","302596","2025-10-06","08:36:07",""
"1575432","15.571","0.012","12.724","0.01","13.505","0.011","90","","125.2","","90","","2186","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H15 F4 N3 -","- C27 H15 F4 N3 -","- C108 H60 F16 N12 -","4","0.5","","Usman, Rabia; Jiang, Zhouyu; Kuznetsov, Aleksey; Henidi, Hanan A.; Altamimi, Abeer A.; Bin-Jumah, May Nasser; Alghamdi, Mutaz; Khan, Arshad","Donor–acceptor architecture dictates emission properties: enhanced solid-state fluorescence in carbazole-based charge transfer cocrystals","CrystEngComm","2025","27","38","6303","6313","10.1039/D5CE00619H","","","0.71073","MoKα","","0.1263","0.0556","","","0.1211","0.1556","","","","","","1.078","","","","has coordinates","302596","2025-10-06","08:36:08",""
"1575493","13.1949","0.0006","10.1933","0.0002","17.92","0.006","90","","101.678","0.014","90","","2360.3","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 I5 N2 S2 -","- C22 H17 I5 N2 S2 -","- C88 H68 I20 N8 S8 -","4","0.5","","Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V.","Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties","CrystEngComm","2025","27","38","6283","6294","10.1039/D5CE00638D","","x-ray","0.71073","MoKα","","0.0912","0.061","","","0.1798","0.2432","","","","","","1.086","","","","has coordinates","302594","2025-10-06","08:35:03",""
"1575494","13.1052","0.0009","10.1023","0.0003","17.643","0.009","90","","102","0.02","90","","2284.8","1.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 I5 N2 S2 -","- C22 H17 I5 N2 S2 -","- C88 H68 I20 N8 S8 -","4","0.5","","Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V.","Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties","CrystEngComm","2025","27","38","6283","6294","10.1039/D5CE00638D","","x-ray","0.71073","MoKα","","0.0958","0.0623","","","0.1922","0.2512","","","","","","0.995","","","","has coordinates","302594","2025-10-06","08:35:04",""
"1575495","13.2397","0.0008","10.27","0.0003","18.056","0.008","90","","101.603","0.019","90","","2404.9","1.1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 I5 N2 S2 -","- C22 H17 I5 N2 S2 -","- C88 H68 I20 N8 S8 -","4","0.5","","Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V.","Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties","CrystEngComm","2025","27","38","6283","6294","10.1039/D5CE00638D","","x-ray","0.71073","MoKα","","0.0618","0.0482","","","0.1157","0.1277","","","","","","1.149","","","","has coordinates","302594","2025-10-06","08:35:04",""
"1575496","13.3167","0.0003","11.0072","0.0002","18.382","0.005","90","","98.32","0.009","90","","2666.1","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 I5 N2 S2 -","- C22 H18 I5 N2 S2 -","- C88 H72 I20 N8 S8 -","4","0.5","","Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V.","Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties","CrystEngComm","2025","27","38","6283","6294","10.1039/D5CE00638D","","x-ray","0.71073","MoKα","","0.0392","0.0294","","","0.0671","0.0738","","","","","","0.867","","","","has coordinates","302594","2025-10-06","08:35:04",""
"1575497","13.1291","0.0004","10.7512","0.0002","17.97","0.006","90","","99.674","0.011","90","","2500.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 I5 N2 S2 -","- C22 H17 I5 N2 S2 -","- C88 H68 I20 N8 S8 -","4","0.5","","Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V.","Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties","CrystEngComm","2025","27","38","6283","6294","10.1039/D5CE00638D","","x-ray","0.71073","MoKα","","0.0391","0.0298","","","0.076","0.0825","","","","","","1.008","","","","has coordinates","302594","2025-10-06","08:35:04",""
"1575498","13.1989","0.0004","10.8516","0.0002","18.127","0.005","90","","98.788","0.009","90","","2565.8","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 I5 N2 S2 -","- C22 H17 I5 N2 S2 -","- C88 H68 I20 N8 S8 -","4","0.5","","Yushina, I. D.; Matveychuk, Yu. V.; Bogdanov, N. E.; Adichtchev, S. V.; Krylov, A. S.; Stash, A. I.; Boldyreva, E. V.; Bartashevich, E. V.","Structural response of diiodobutenyl-bis-thioquinolinium triiodide to high pressure and theoretical study of mechanical properties","CrystEngComm","2025","27","38","6283","6294","10.1039/D5CE00638D","","x-ray","0.71073","MoKα","","0.0402","0.0296","","","0.0699","0.0782","","","","","","1.027","","","","has coordinates","302594","2025-10-06","08:35:04",""
"1575499","8.7103","0.0005","7.0222","0.0004","38.587","0.002","90","","93.329","0.002","90","","2356.2","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3-hydroxypyridinium).(9- anthracenecarboxylate).(trinitrobenzene)","","- C26 H18 N4 O9 -","- C26 H18 N4 O9 -","- C104 H72 N16 O36 -","4","1","","Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas","Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective","CrystEngComm","2025","27","36","5971","5982","10.1039/D5CE00338E","","x-ray","0.71073","MoKα","","0.0566","0.0452","","","0.1153","0.1226","","","","","","1.035","","","","has coordinates","302579","2025-10-06","08:29:26",""
"1575500","10.0194","0.0006","10.189","0.0007","10.6551","0.0007","98.069","0.003","92.813","0.003","108.239","0.003","1017.86","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","(3-hydroxypyridinium).(9- anthracenecarboxylate).(trinitrobenzene)","","- C46 H33 N5 O12 -","- C46 H33 N5 O12 -","- C46 H33 N5 O12 -","1","0.5","","Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas","Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective","CrystEngComm","2025","27","36","5971","5982","10.1039/D5CE00338E","","x-ray","0.71073","MoKα","","0.0553","0.0461","","","0.1315","0.1396","","","","","","1.044","","","","has coordinates,has disorder","302579","2025-10-06","08:29:29",""
"1575501","12.7283","0.0007","24.2867","0.0012","7.7022","0.0004","90","","101.17","0.002","90","","2335.9","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3-hydroxypyridinium).(9- anthracenecarboxylate).(trinitrobenzene)","","- C26 H18 N4 O9 -","- C26 H18 N4 O9 -","- C104 H72 N16 O36 -","4","1","","Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas","Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective","CrystEngComm","2025","27","36","5971","5982","10.1039/D5CE00338E","","x-ray","0.71073","MoKα","","0.0542","0.0459","","","0.1214","0.1293","","","","","","1.011","","","","has coordinates","302579","2025-10-06","08:29:29",""
"1575502","12.7859","0.0015","7.2453","0.0008","25.434","0.003","90","","98.451","0.004","90","","2330.6","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3-hydroxypyridinium).(9- anthracenecarboxylate).(trinitrobenzene)","","- C26 H18 N4 O9 -","- C26 H18 N4 O9 -","- C104 H72 N16 O36 -","4","1","","Salajee, Atiyyah; Krawczuk, Anna; Erasmus, Rudolph; Lemmerer, Andreas","Experimental and theoretical investigations of the optical and photoluminescence behaviour of a tetramorphic ternary molecular salt cocrystal – a quantum crystallography perspective","CrystEngComm","2025","27","36","5971","5982","10.1039/D5CE00338E","","x-ray","0.71073","MoKα","","0.0886","0.0619","","","0.1607","0.1747","","","","","","1.102","","","","has coordinates","302579","2025-10-06","08:29:30",""
"1575622","11.6044","0.0003","10.6205","0.0003","17.1687","0.0005","90","","92.03","0.001","90","","2114.62","0.1","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H48 N4 O10 Zn -","- C46 H48 N4 O10 Zn -","- C92 H96 N8 O20 Zn2 -","2","0.5","","Hossain, Ersad; Sk, Ramjan; Layek, Animesh; Pramanik, Samit; Frontera, Antonio; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata","Effect of π⋯π interactions on the conductivity of two 1D coordination polymers through one-pot crystallization","CrystEngComm","2025","27","40","6630","6638","10.1039/D5CE00825E","","","0.71073","MoKα","","0.0419","0.0343","","","0.094","0.0985","","","","","","1.04","","","","has coordinates","303707","2025-11-29","19:15:38",""
"1575623","15.6121","0.0006","7.9358","0.0003","17.1539","0.0006","90","","96.681","0.001","90","","2110.84","0.14","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 N4 O8 Zn -","- C46 H44 N4 O8 Zn -","- C92 H88 N8 O16 Zn2 -","2","0.5","","Hossain, Ersad; Sk, Ramjan; Layek, Animesh; Pramanik, Samit; Frontera, Antonio; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata","Effect of π⋯π interactions on the conductivity of two 1D coordination polymers through one-pot crystallization","CrystEngComm","2025","27","40","6630","6638","10.1039/D5CE00825E","","","0.71073","MoKα","","0.0818","0.0548","","","0.1447","0.161","","","","","","1.051","","","","has coordinates","303707","2025-11-29","19:15:38",""
"1575681","45.752","0.009","8.828","0.0018","8.837","0.0018","90","","99.73","0.03","90","","3517.9","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H24 I6 N2 O2 Pb2 -","- C12 H24 I6 N2 O2 Pb2 -","- C48 H96 I24 N8 O8 Pb8 -","4","0.5","","Jung, Mi-Hee","Near-infrared light emitting diodes based on an oxygen moiety containing 2D Ruddlesden–Popper perovskites","CrystEngComm","2025","27","40","6660","6671","10.1039/D5CE00805K","","","0.7","","","0.3128","0.2897","","","0.6612","0.677","","","","","","4.982","","","","has coordinates","303704","2025-11-29","19:15:08",""
"1575682","21.235","0.004","54","0.011","8.744","0.0018","90","","90","","90","","10027","3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C30 H78 I21 N6 O6 Pb6 -","- C30 H78 I21 N6 O6 Pb6 -","- C120 H312 I84 N24 O24 Pb24 -","4","0.5","","Jung, Mi-Hee","Near-infrared light emitting diodes based on an oxygen moiety containing 2D Ruddlesden–Popper perovskites","CrystEngComm","2025","27","40","6660","6671","10.1039/D5CE00805K","","","0.7","","","0.1401","0.0984","","","0.294","0.3315","","","","","","1.047","","","","has coordinates","303704","2025-11-29","19:15:08",""
"1575742","12.3629","0.0005","16.5072","0.0007","28.5794","0.0017","85.914","0.004","85.67","0.004","74.715","0.004","5602","0.5","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","p-sulfonatocalix[6]arene / pentamidine / methanol host-guest complex","","","- C101 H132.56 N12 O40.28 S6 -","- C101 H115.737 N12 O40.277 S6 -","- C202 H231.474 N24 O80.554 S12 -","2","1","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.1725","0.1165","","","0.3104","0.35","","","","","","1.069","","","","has coordinates,has disorder","303703","2025-11-29","19:14:10",""
"1575743","25.024","0.003","13.519","0.002","24.37","0.004","90","","108.954","0.017","90","","7797","2","100","0.1","100","0.1","","","","","","","","5","I 1 2/a 1","-I 2ya","15","p-sulfonatocalix[4]arene / pentamidine / acetone host-guest complex","","","- C72 H96 N8 O28 S4 -","- C72 H84 N8 O28 S4 -","- C288 H336 N32 O112 S16 -","4","0.5","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.1574","0.1234","","","0.3545","0.3988","","","","","","1.116","","","","has coordinates,has disorder","303703","2025-11-29","19:14:10",""
"1575744","34.1908","0.0018","41.4283","0.0012","46.991","0.0018","90","","95.325","0.005","90","","66274","5","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","p-sulfonato-calix[8]arene/ pentamidine / isopropanol host-guest complex","","","- C270 H412 N32 O136 S16 -","- C270 H304 N32 O83 S16 -","- C2160 H2432 N256 O664 S128 -","8","1","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.2894","0.1193","","","0.2802","0.4152","","","","","","0.919","","","","has coordinates,has disorder","303703","2025-11-29","19:14:10",""
"1575745","23.6106","0.0001","30.3731","0.0002","31.5092","0.0002","90","","91.424","0.001","90","","22589.1","0.2","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","p-sulfonatocalix[4]arene / pentamidine / isopropanol host-guest complex","","","- C216 H286 N24 O77 S12 -","- C216 H282 N24 O77 S12 -","- C864 H1128 N96 O308 S48 -","4","1","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.0749","0.0601","","","0.162","0.1735","","","","","","1.027","","","","has coordinates","303703","2025-11-29","19:14:10",""
"1575746","34.1908","0.0018","41.4283","0.0012","46.991","0.0018","90","","95.325","0.005","90","","66274","5","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","p-sulfonato-calix[8]arene/ pentamidine / isopropanol host-guest complex","","","- C270 H380.48 N32 O120.24 S16 -","- C270 H304 N32 O119.972 S16 -","- C2160 H2432 N256 O959.776 S128 -","8","1","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.323","0.1333","","","0.3328","0.496","","","","","","0.931","","","","has coordinates,has disorder","303703","2025-11-29","19:14:10",""
"1575747","33.9061","0.0005","41.7359","0.0005","46.4819","0.0007","90","","94.332","0.002","90","","65588.7","1.6","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","p-sulfonato-calix[8]arene/ pentamidine / ethanol host-guest complex","","","- C269 H376.42 N32 O119.22 S16 -","- C269 H303 N32 O119.214 S16 -","- C2152 H2424 N256 O953.712 S128 -","8","1","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.1914","0.1269","","","0.3247","0.3935","","","","","","1.182","","","","has coordinates,has disorder","303703","2025-11-29","19:14:10",""
"1575748","33.9061","0.0005","41.7359","0.0005","46.4819","0.0007","90","","94.332","0.002","90","","65588.7","1.6","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","p-sulfonato-calix[8]arene/ pentamidine / ethanol host-guest complex","","","- C268 H396.58 N32 O130.29 S16 -","- C268 H300 N32 O84.939 S16 -","- C2144 H2400 N256 O679.512 S128 -","8","1","","Kravets, Kateryna; Kravets, Mykola; Danylyuk, Oksana","Host–guest conformational adaptation in the crystal complexes of pentamidine and p-sulfonato-calix[n]arenes","CrystEngComm","2025","27","40","6611","6622","10.1039/D5CE00666J","","","1.54184","CuKα","","0.1742","0.1141","","","0.3092","0.3796","","","","","","1.138","","","","has coordinates,has disorder","303703","2025-11-29","19:14:10",""
"1575749","10.873","0.009","9.425","0.007","34.44","0.03","90","","90.06","0.02","90","","3529","5","298","","298","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C66 H58 Cd2 N9 O18 P3 -","- C66 H51 Cd2 N9 O18 P3 -","- C132 H102 Cd4 N18 O36 P6 -","2","1","","Özcan, Elif; Zorlu, Yunus","Bipyridine-functionalized Cd(ii) coordination frameworks based on robust cyclophosphazenes: structural engineering toward enhanced photocatalytic activity","CrystEngComm","2025","27","42","6913","6925","10.1039/D5CE00433K","","x-ray","0.71073","MoKα","","0.0875","0.0681","","","0.1489","0.1639","","","","","","1.031","","","","has coordinates,has disorder","303691","2025-11-29","19:10:05",""
"1575750","19.246","0.003","15.706","0.002","19.572","0.003","90","","90.189","0.002","90","","5916.1","1.5","173","","173","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C52 H44 N3 O22 P3 -","- C52 H44 N3 O22 P3 -","- C208 H176 N12 O88 P12 -","4","1","","Özcan, Elif; Zorlu, Yunus","Bipyridine-functionalized Cd(ii) coordination frameworks based on robust cyclophosphazenes: structural engineering toward enhanced photocatalytic activity","CrystEngComm","2025","27","42","6913","6925","10.1039/D5CE00433K","","","0.71073","MoKα","","0.0676","0.0527","","","0.1212","0.1276","","","","","","0.953","","","","has coordinates","303691","2025-11-29","19:10:05",""
"1575751","12.229","0.008","17.228","0.011","19.403","0.012","75.499","0.011","78.521","0.012","84.495","0.013","3874","4","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C77 H71 Cd2 N10 O20 P3 -","- C68 H50 Cd2 N7 O17 P3 -","- C136 H100 Cd4 N14 O34 P6 -","2","1","","Özcan, Elif; Zorlu, Yunus","Bipyridine-functionalized Cd(ii) coordination frameworks based on robust cyclophosphazenes: structural engineering toward enhanced photocatalytic activity","CrystEngComm","2025","27","42","6913","6925","10.1039/D5CE00433K","","x-ray","0.71073","MoKα","","0.1254","0.0722","","","0.1607","0.1777","","","","","","0.988","","","","has coordinates","303691","2025-11-29","19:10:05",""
"1575752","12.6939","0.0003","13.0267","0.0003","18.5039","0.0005","84.192","0.001","76.836","0.001","61.861","0.001","2627.18","0.12","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H74 Cl2 N4 O2 -","- C51 H74 Cl2 N4 O2 -","- C102 H148 Cl4 N8 O4 -","2","1","","Juma, David O.; Zamisa, Sizwe J.; Sharma, Anamika; Bongoza, Unathi; Njogu, Eric M.; Albericio, Fernando; Omondi, Bernard","Computational and structural insights into the zwitterionic and neutral forms of N-substituted hydroxyformamidines in the solid state","CrystEngComm","2025","27","39","6508","6522","10.1039/D5CE00521C","","","0.71073","MoKα","","0.1136","0.0782","","","0.228","0.2677","","","","","","1.0554","","","","has coordinates","303692","2025-11-29","19:10:25",""
"1575753","7.576","0.0003","23.9624","0.0008","13.8352","0.0004","90","","100.932","0.002","90","","2466.05","0.15","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H8 F4 N2 O -","- C13 H8 F4 N2 O -","- C104 H64 F32 N16 O8 -","8","2","","Juma, David O.; Zamisa, Sizwe J.; Sharma, Anamika; Bongoza, Unathi; Njogu, Eric M.; Albericio, Fernando; Omondi, Bernard","Computational and structural insights into the zwitterionic and neutral forms of N-substituted hydroxyformamidines in the solid state","CrystEngComm","2025","27","39","6508","6522","10.1039/D5CE00521C","","x-ray","0.71073","MoKα","","0.0505","0.0416","","","0.1062","0.1146","","","","","","1.053","","","","has coordinates","303692","2025-11-29","19:10:25",""
"1575773","9.1816","0.0003","9.6057","0.0002","14.076","0.0003","90","","97.815","0.002","90","","1229.91","0.05","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H17 F6 N2 O -","- C28 H17 F6 N2 O -","- C56 H34 F12 N4 O2 -","2","1","","Ahmed, Imtiaz; Gupta, Nikita; Sarma, Plaban Jyoti; Neog, Shilpa; Das, Vijay Kumar","Visible light-driven modular synthesis of aza-β-lactams via a dual photochemical cascade","Green Chemistry","2025","27","39","12472","12482","10.1039/D5GC03481G","","x-ray","1.54184","CuKα","","0.0746","0.0611","","","0.1728","0.1862","","","","","","1.058","","","","has coordinates,has disorder","303839","2025-11-29","21:27:06",""
"1575774","14.6236","0.0002","10.0403","0.0001","15.0628","0.0002","90","","92.403","0.001","90","","2209.66","0.05","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 N2 O -","- C28 H24 N2 O -","- C112 H96 N8 O4 -","4","1","","Ahmed, Imtiaz; Gupta, Nikita; Sarma, Plaban Jyoti; Neog, Shilpa; Das, Vijay Kumar","Visible light-driven modular synthesis of aza-β-lactams via a dual photochemical cascade","Green Chemistry","2025","27","39","12472","12482","10.1039/D5GC03481G","","x-ray","1.54184","CuKα","","0.0555","0.046","","","0.1312","0.1355","","","","","","1.172","","","","has coordinates","303839","2025-11-29","21:27:06",""
"1575775","7.5098","0.0006","12.5763","0.0011","8.5526","0.0007","90","","112.989","0.002","90","","743.6","0.11","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","indoline-1-carbonyl fluoride","indoline-1-carbonyl fluoride","","- C36 H32 F4 N4 O4 -","- C36 H32 F4 N4 O4 -","- C36 H32 F4 N4 O4 -","1","0.25","","Das, Subhodeep; Das, Supriyo; Rahaman, Sk Abdur; Mandal, Sourav; Jana, Ranjan","A visible-light-mediated decarboxylative umpolung strategy to access carbamoyl/acyl fluorides in a buffer medium: expedient access to unsymmetrical ureas/amides and lysine-selective bioconjugation","Green Chemistry","2025","27","42","13268","13280","10.1039/D5GC04556H","","x-ray","1.54178","CuKα","","0.0562","0.0458","","","0.1295","0.1319","","","","","","0.819","","","","has coordinates","303837","2025-11-29","21:26:33",""
"2000112","9.3","0.05","33.25","0.15","6.75","0.04","90","","120","0.3","90","","1807.63","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","2-Imino-5-phenyl-thiazolidin-4-one","","","- C9 H8 N2 O S -","- C9 N2 O S -","- C72 N16 O8 S8 -","8","2","","Mornon, J. P.; Raveau, B.","Structure cristalline de la molécule schématisée par l'équilibre tautomère: amino-2 phényl-5 thiazolinone-4 ⇌ imino-2 phényl-5 thiazolidinone-4","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1971","27","1","95","108","10.1107/S0567740871001754","","","","","","","0.11","","","0.11","","","","","","","","","","","has coordinates","189487","2020-10-21","18:00:00",""
"2002215","5.722","","5.722","","10.064","","90","","90","","90","","329.5","","","","","","","","","","","","","3","I 41/a m d :2","-I 4bd 2","141","","Barium dicopper(I) oxide","","- Ba Cu2 O2 -","- Ba Cu2 O2 -","- Ba4 Cu8 O8 -","4","0.125","","Teske, C L; Mueller-Buschbaum, Hk","Zur Kenntnis von Ba Cu2 O2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","296","301","","","","","","","0.11","","","","","","","","","","","","","","","has coordinates","176759","2020-10-21","18:00:00",""
"2002216","5.757","","5.757","","21.38799","","90","","90","","120","","613.9","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Tribarium bis(chromate(V))","","- Ba3 Cr2 O8 -","- Ba3 Cr2 O8 -","- Ba9 Cr6 O24 -","3","0.0833333","","Mattausch, H; Mueller-Buschbaum, Hk","Zur Kristallstruktur von Ba3 (Cr O4)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","739","744","","","","","","","0.09","","","","","","","","","","","","","","","has coordinates","301791","2025-08-18","23:15:21",""
"2002217","3.755","","3.755","","12.587","","90","","90","","90","","177.5","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Strontium cerium aluminium oxide","","- Al Ce O4 Sr -","- Al Ce O4 Sr -","- Al2 Ce2 O8 Sr2 -","2","0.0625","","Pausch, H; Mueller-Buschbaum, Hk","Ein Beitrag ueber Sr Ce Al O4 und Sr Nd Al O4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","888","890","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2002218","3.712","","3.712","","12.418","","90","","90","","90","","171.1","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","Strontium neodymium aluminium oxide","","- Al Nd O4 Sr -","- Al Nd O4 Sr -","- Al2 Nd2 O8 Sr2 -","2","0.0625","","Pausch, H; Mueller-Buschbaum, Hk","Ein Beitrag ueber Sr Ce Al O4 und Sr Nd Al O4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","888","890","","","","","","","0.1","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2020524","7.379","0.004","5.64","0.002","11.413","0.007","90","","90","","90","","475","0.4","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F3 K2 O2 V -","- F3 K2 O2 V -","- F12 K8 O8 V4 -","4","0.5","","Ryan, R. R.; Mastin, S. H.; Reisfeld, M. J.","The crystal structure of K2VO2F3, a nonlinear dioxovanadium(V) group","Acta Crystallographica Section B Structural Crystallography and Crystal Chemistry","1971","27","6","1270","1274","10.1107/s0567740871003844","","","","MoKα","","0.0258","","","0.0198","","","","","","","","","","","","has coordinates","183477","2020-10-21","18:00:00",""
"2105364","12.67","","12.67","","9.332","","90","","90","","120","","1297.35","","","","","","","","","","","","","2","P 6/m","-P 6","175","","Gd Ag3.63","","- Ag3.63 Gd -","- Ag3.63 Gd -","- Ag50.82 Gd14 -","14","1.16667","","Kline, G.R.; Bailey, D.M.","The crystal structure of Gd Ag3.6","Acta Crystallographica B (24,1968-38,1982)","1971","27","","650","653","10.1107/S0567740871002711","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105410","6.151","","6.151","","6.151","","91.8","","91.8","","91.8","","232.37","","","","","","","","","","","","","3","R -3 :R","-P 3*","148","","B3 N3 Cl6","","- B3 Cl6 N3 -","- B3 Cl6 N3 -","- B3 Cl6 N3 -","1","0.166667","","Mueller, U.","Die Kristallstruktur von Hexachloroborazol","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1997","2003","10.1107/S0567740871005235","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105414","3.266","","17.177","","5.947","","90","","90","","90","","333.627","","","","","","","","","","","","","3","P m m n :2","-P 2ab 2a","59","","Nb Co B","","- B Co Nb -","- B Co0.982 Nb -","- B10 Co9.82 Nb10 -","10","1.25","","Shoemaker, D.P.; Kripyakevich, P.I.; Kuz'ma, Yu.B.; Brink-Shoemaker, C.; Voroshilov, Yu.V.","The crystal structure of (Nb Co B)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","257","261","10.1107/S0567740871002061","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105425","13.714","","8.091","","8.631","","90","","90","","90","","957.696","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Zn (B4 O7)","","- B4 O7 Zn -","- B4 O7 Zn -","- B32 O56 Zn8 -","8","1","","Martinez-Carrera, S.; Martinez-Ripoll, M.; Garcia-Blanco, S.","The crystal structure of zinc diborate, Zn B4 O7","Acta Crystallographica B (24,1968-38,1982)","1971","27","","672","677","10.1107/S0567740871002759","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105791","9.4146","0.0001","9.4146","0.0001","9.4146","0.0001","90","","90","","90","","834.46","0.015","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","Manganese(III) Oxide - Ht","Bixbyite C","- Mn2 O3 -","- Mn2 O3 -","- Mn32 O48 -","16","0.333333","","Geller, S.","Structures of α-Mn~2~O~3~, (Mn~0.983~Fe~0.017~)~2~O~3~, (Mn~0.37~Fe~0.63~)~2O~3~ and relation to magnetic ordering","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1971","27","4","821","828","10.1107/S0567740871002966","","","","","","0.027","","","","","","","","","","","","","","","has coordinates","176330","2020-10-21","18:00:00",""
"2106023","10.96","","7.132","","15.167","","90","","124.917","","90","","972.134","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","H (Cl O4) (H2 O)2.5","","- Cl H6 O6.5 -","- Cl H6 O6.5 -","- Cl8 H48 O52 -","8","2","","Almloef, J.; Lundgren, J.O.; Olovsson, I.","Hydrogen-bond studies. XLV. The crystal structure of H Cl O4 (H2 O)2.5","Acta Crystallographica B (24,1968-38,1982)","1971","27","","898","904","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:25",""
"2106024","7.133","","6.085","","15.062","","90","","90","","90","","653.756","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)2 S2 O5","","- H8 N2 O5 S2 -","- H8 N2 O5 S2 -","- H32 N8 O20 S8 -","4","0.5","","Baggio, S.","The Crystal Structure of Ammonium Pyrosulphite","Acta Crystallographica B (24,1968-38,1982)","1971","27","","517","522","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:25",""
"2106025","4.034","","4.034","","13.736","","90","","90","","90","","223.528","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ce2 Bi O2","","- Bi Ce2 O2 -","- Bi Ce2 O2 -","- Bi2 Ce4 O4 -","2","0.0625","","Benz, R.","Ce2 O2 Sb, Ce2 O2 Bi crystal structure","Acta Crystallographica B (24,1968-38,1982)","1971","27","","853","854","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106026","4.012","","4.012","","13.697","","90","","90","","90","","220.469","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ce2 Sb O2","","- Ce2 O2 Sb -","- Ce2 O2 Sb -","- Ce4 O4 Sb2 -","2","0.0625","","Benz, R.","Ce2 O2 Sb, Ce2 O2 Bi crystal structure","Acta Crystallographica B (24,1968-38,1982)","1971","27","","853","854","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106027","4.0705","","4.0705","","12.904","","90","","90","","90","","213.806","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ce2 O2 Te -","- Ce2 O2 Te -","- Ce4 O4 Te2 -","2","0.0625","","Benz, R.","Ce2 O2 Sb, Ce2 O2 Bi crystal structure","Acta Crystallographica B (24,1968-38,1982)","1971","27","","853","854","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106029","6.786","","10.371","","14.335","","90","","57.91","","90","","854.724","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K4 (P O2 N H)4 (H2 O)4","","- H12 K4 N4 O12 P4 -","- H12 K4 N4 O12 P4 -","- H24 K8 N8 O24 P8 -","2","0.5","","Berking, B.; Mootz, D.","Die Kristallstrukturen von K4 (P O2 N H)4 (H2 O)4, Cs4 (P O2 N H)4 (H2 O)6 und die Konformationsisomerie des ringfoermigen Anions (P O2 N H)4(4-)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","740","747","","","","","","","","","","","","","","","","","","","","","","has coordinates","140382","2020-10-21","18:00:00",""
"2106030","9.693","","9.693","","11.306","","90","","90","","90","","1062.25","","","","","","","","","","","","","5","P 42/n m c :1","P 4n 2n -1n","137","","Cs4 (P O2 N H)4 (H2 O)6","","- Cs4 H16 N4 O14 P4 -","- Cs4 N4 O14 P4 -","- Cs8 N8 O28 P8 -","2","0.125","","Berking, B.; Mootz, D.","Die Kristallstrukturen von K4 (P O2 N H)4 (H2 O)4, Cs4 (P O2 N H)4 (H2 O)6 und die Konformationsisomerie des ringfoermigen Anions (P O2 N H)4(4-)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","740","747","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106031","22.16","","7.73","","7.08","","90","","90","","90","","1212.78","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Na2 (Zr (S O4)3) (H2 O)3","","- H6 Na2 O15 S3 Zr -","- Na2 O15 S3 Zr -","- Na8 O60 S12 Zr4 -","4","1","","Bear, I.J.; Mumme, W.G.","The Crystal Chemistry of Zirconium Sulphates. VII. The Structure of Na2 (Zr (S O4)3) (H2 O)3","Acta Crystallographica B (24,1968-38,1982)","1971","27","","494","500","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106032","4.576","","13.548","","5.785","","90","","98.68","","90","","354.537","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Sn (H P O4)","","- H O4 P Sn -","- O4 P Sn -","- O16 P4 Sn4 -","4","1","","Berndt, A.F.; Lamberg, R.","The crystal structure of Sn H P O4","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1092","1094","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106033","3.4804","","3.4804","","12.4821","","90","","90","","90","","151.198","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ir (U C)2","","- C2 Ir U2 -","- C2 Ir U2 -","- C4 Ir2 U4 -","2","0.0625","","Bowman, A.L.; Arnold, G.P.; Krikorian, N.H.","The crystal structure of U2 Ir C2","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1067","1068","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106034","16.992","","28.634","","4.6556","","90","","90","","90","","2265.18","","","","","","","","","","","","","2","I m m m","-I 2 2","71","","(Mn81.5 Si18.5)1.86","","- Mn151.59 Si34.41 -","- Mn151.104 Si34.896 -","- Mn151.104 Si34.896 -","1","0.0625","","Brink-Shoemaker, C.; Shoemaker, D.P.","The Crystal Structure of the mue Phase, Mn81.5 Si18.5","Acta Crystallographica B (24,1968-38,1982)","1971","27","","227","235","","","","","","","","","","","","","","","","","","","","","","has coordinates","140457","2020-10-21","18:00:00",""
"2106036","8.2424","","8.2424","","16.412","","90","","90","","120","","965.605","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Cs (U6 F25)","","- Cs F25 U6 -","- Cs F25 U6 -","- Cs2 F50 U12 -","2","0.0833333","","Brunton, G.","The crystal structure of Cs U6 F25","Acta Crystallographica B (24,1968-38,1982)","1971","27","","245","247","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106038","4.942","","4.942","","4.164","","90","","90","","120","","88.074","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","(Tb Cu7)0.777","","- Cu5.439 Tb0.777 -","- Cu5.44 Tb0.78 -","- Cu5.44 Tb0.78 -","1","0.0416667","","Buschow, K.H.J.; van der Goot, A.S.","Composition and crystal structure of hexagonal Cu-rich rare earth-copper compunds","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1085","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","140497","2020-10-21","18:00:00",""
"2106041","5.42","","6.45","","9.31","","74.5","","80.4","","84.7","","308.847","","","","","","","","","","","","","6","P -1","-P 1","2","","Cu (O H)2 (C2 N4 H4)2 (H2 O)2 Cl2","","- C4 H8 Cl2 Cu N8 O2 -","- C4 H8 Cl2 Cu N8 O2 -","- C4 H8 Cl2 Cu N8 O2 -","1","0.5","","Chiesi, A.; Coghi, L.; Mangia, A.; Nardelli, M.; Pelizzi, G.","The Crystal and Molecular Structure of Dichlorodiaquobis(dicyanamide)copper(II)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","192","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106042","14.09","","6.998","","12.7","","90","","115.94","","90","","1126.08","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na2 (H2 P2 O6) (H2 O)6","","- H14 Na2 O12 P2 -","- H14 Na2 O12 P2 -","- H56 Na8 O48 P8 -","4","0.5","","Collin, R.L.; Willis, M.","The Crystal Structure of Disodium Dihydrogen Hypophosphate Hexahydrate Na2 (H2 P2 O6) (H2 O)6 and Disodium Dihydrogen Pyrophosphate Hexahydrate Na2 (H2 P2 O7) (H2 O)6","Acta Crystallographica B (24,1968-38,1982)","1971","27","","291","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","140604","2020-10-21","18:00:00",""
"2106043","14.009","","6.959","","13.455","","90","","117.69","","90","","1161.49","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Na2 (H2 P2 O7) (H2 O)6","","- H14 Na2 O13 P2 -","- H14 Na2 O13 P2 -","- H56 Na8 O52 P8 -","4","0.5","","Collin, R.L.; Willis, M.","The Crystal Structure of Disodium Dihydrogen Hypophosphate Hexahydrate Na2 (H2 P2 O6) (H2 O)6 and Disodium Dihydrogen Pyrophosphate Hexahydrate Na2 (H2 P2 O7) (H2 O)6","Acta Crystallographica B (24,1968-38,1982)","1971","27","","291","302","","","","","","","","","","","","","","","","","","","","","","has coordinates","140606","2020-10-21","18:00:00",""
"2106044","9.782","","6.738","","10.799","","90","","106.01","","90","","684.167","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ca3 (Si O4) Cl2","","- Ca3 Cl2 O4 Si -","- Ca3 Cl2 O4 Si -","- Ca12 Cl8 O16 Si4 -","4","1","","Czaya, R.; Bissert, G.","Die Kristallstruktur von Tricalciummonosilikatdichlorid, Ca2 Si O4 Ca Cl2","Acta Crystallographica B (24,1968-38,1982)","1971","27","","747","752","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:25",""
"2106045","9.863","","7.791","","7.833","","90","","90","","90","","601.908","","","","","","","","","","","","","2","C m c a","-C 2ac 2","64","","","","- Fe Si2 -","- Fe Si2 -","- Fe16 Si32 -","16","","","Dusausoy, Y.; Protas, J.","Structure cristalline du disilicure de fer, Fe Si2 beta","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1209","1218","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106046","6.671","","6.671","","12.288","","90","","90","","120","","473.58","","","","","","","","","","","","","2","P 3 2 1","P 3 2""","150","","","","- Ni31 Si12 -","- Ni31 Si12 -","- Ni31 Si12 -","1","0.166667","","Frank, K.; Schubert, K.","Kristallstruktur von Ni31 Si12","Acta Crystallographica B (24,1968-38,1982)","1971","27","","916","920","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106047","13.64","","18.24","","11.27","","90","","128","","90","","2209.51","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","Na1.76 Ca4 (Al10.29 Si25.71 O72) (H2 O)29.4","","- Al10.29 Ca4 H58.8 Na1.76 O101.4 Si25.71 -","- Al10.29 Ca4 Na1.76 O101.4 Si25.71 -","- Al10.29 Ca4 Na1.76 O101.4 Si25.71 -","1","0.125","","Galli, E.","Refinement of the crystal structure of stilbite","Acta Crystallographica B (24,1968-38,1982)","1971","27","","833","841","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106048","15.38","","3.61","","7.37","","90","","102","","90","","400.254","","","","","","","","","","","","","3","C 1 m 1","C -2y","8","","Cu1.82 V4 O11","","- Cu1.82 O11 V4 -","- Cu1.82 O11 V4 -","- Cu3.64 O22 V8 -","2","0.5","","Galy, J.; Lavaud, D.","Structure cristalline du Bronze de Vanadium Cu1.82 V4 O11","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1005","1009","","","","","","","","","","","","","","","","","","","","","","has coordinates","140764","2020-10-21","18:00:00",""
"2106050","10.483","","10.483","","6.381","","90","","90","","90","","701.229","","","","","","","","","","","","","3","P 42/n m c :2","-P 4ac 2a","137","","(As C F3)4","","- C4 As4 F12 -","- C4 As4 F12 -","- C8 As8 F24 -","2","0.125","","Mandel, N.; Donohue, J.","The Molecular and Crystal Structure of Trifluoromethylarsenic Tetramer (As C F3)4","Acta Crystallographica B (24,1968-38,1982)","1971","27","","476","480","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:25",""
"2106051","10.956","","10.956","","10.956","","90","","90","","90","","1315.09","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Ti (Te3 O8)","","- O8 Te3 Ti -","- O8 Te3 Ti -","- O64 Te24 Ti8 -","8","0.166667","","Meunier, G.; Galy, J.","Sur une deformation inedite du reseau de type fluorine. Structure cristalline des phases M Te3 O8 (M = Ti, Sn, Hf, Zr)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","602","608","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106052","11.144","","11.144","","11.144","","90","","90","","90","","1383.96","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Sn (Te3 O8)","","- O8 Sn Te3 -","- O8 Sn Te3 -","- O64 Sn8 Te24 -","8","0.166667","","Meunier, G.; Galy, J.","Sur une deformation inedite du reseau de type fluorine. structure cristalline des phases M Te3 O8 (M = Ti, Sn, Hf, Zr)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","602","608","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106053","11.291","","11.291","","11.291","","90","","90","","90","","1439.45","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","Hf Te3 O8","","- Hf O8 Te3 -","- Hf O8 Te3 -","- Hf8 O64 Te24 -","8","0.166667","","Meunier, G.; Galy, J.","Sur une deformation inedite du reseau de type fluorine. structure cristalline des phases M Te3 O8 (M = Ti, Sn, Hf, Zr)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","602","608","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106054","7.4","","13.96","","12.79","","90","","96.6","","90","","1312.5","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K2 (Zr (S O4)3) (H2 O)2","","- H4 K2 O14 S3 Zr -","- H4 K2 O14 S3 Zr -","- H16 K8 O56 S12 Zr4 -","4","1","","Mumme, W.G.","The crystal chemistry of zirconium sulphates. IX. The structure of K2 (Zr (S O4)3) (H2 O)2","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1373","1378","","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2106055","5.941","","21.57","","7.53","","90","","103.967","","90","","936.421","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Na2 S2 O3 (H2 O)5","","- H10 Na2 O8 S2 -","- H10 Na2 O8 S2 -","- H40 Na8 O32 S8 -","4","1","","Padmanabhan, V.M.; Yadava, V.S.; Navarro, Q.O.; Garcia, A.; Karsono, L.; Suh, I.-H.; Chien, L.S.","Neutron Diffraction Study of Sodium Thiosulphate Pentahydrate, Na2 S2 O3 (H2 O)5","Acta Crystallographica B (24,1968-38,1982)","1971","27","","253","257","","","","","","","","","","","","","","","","","","","","","","has coordinates","141091","2020-10-21","18:00:00",""
"2106056","3.842","","3.842","","3.842","","90","","90","","90","","56.712","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Mo O2.4 F0.6","","- F0.6 Mo O2.4 -","- F0.6 Mo O2.4 -","- F0.6 Mo O2.4 -","1","0.0208333","","Pierce, J.W.; Vlasse, M.","The crystal structures of two oxyfluorides of molybdenum","Acta Crystallographica B (24,1968-38,1982)","1971","27","","158","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106057","3.878","","13.96","","3.732","","90","","90","","90","","202.039","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","Mo4 O11.2 F0.8","","- F0.8 Mo4 O11.2 -","- F0.8004 Mo4 O11.1996 -","- F0.8004 Mo4 O11.1996 -","1","0.0625","","Pierce, J.W.; Vlasse, M.","The crystal structures of two oxyfluorides of molybdenum","Acta Crystallographica B (24,1968-38,1982)","1971","27","","158","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","141100","2020-10-21","18:00:00",""
"2106060","6.136","","47.4","","3.84","","90","","90","","90","","1116.85","","","","","","","","","","","","","3","C 2 m m","C -2 2","38","","W4 Ta22 O67","","- O67 Ta22 W4 -","- O67.0002 Ta22.0012 W3.9988 -","- O67.0002 Ta22.0012 W3.9988 -","1","0.125","","Stephenson, N.C.; Roth, R.S.","Structural Systematics in the Binary System Ta2 O5 W O3. I. The Structure of Ta22 W4 O67","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1010","1017","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"2106061","6.172","","29.226","","3.85","","90","","90","","90","","694.474","","","","","","","","","","","","","3","C 2 m m","C -2 2","38","","(W2 Ta30 O81)0.5","","- O40.5 Ta15 W -","- O40.5024 Ta15.0016 W1.0016 -","- O40.5024 Ta15.0016 W1.0016 -","1","0.125","","Stephenson, N.C.; Roth, R.S.","Structural Systematics in the Binary System Ta2 O5 W O3. II. The Structure of Ta30 W2 O81","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1018","1024","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106062","29.2","","6.182","","3.876","","90","","90","","90","","699.674","","","","","","","","","","","","","4","P 1 2 1","P 2y","3","","(Al0.333 W0.667) Ta15 O40","","- Al0.333 O40 Ta15 W0.667 -","- Al0.3328 O40 Ta15 W0.6672 -","- Al0.3328 O40 Ta15 W0.6672 -","1","0.5","","Stephenson, N.C.; Roth, R.S.","Structural systematics in the binary system Ta2 O5 W O3. III. The structure of (Ta2 O5)45 (Al2 O3) (W O3)4","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1025","1031","","","","","","","","","","","","","","","","","","","","","","has coordinates","141131","2020-10-21","18:00:00",""
"2106063","6.188","","69.57","","3.88","","90","","90","","90","","1670.34","","","","","","","","","","","","","3","C 2 m m","C -2 2","38","","W Ta37 O95.487","","- O95.487 Ta37 W -","- O95.5 Ta37.0006 W0.9994 -","- O95.5 Ta37.0006 W0.9994 -","1","0.125","","Stephenson, N.C.; Roth, R.S.","Structural Systematics in the Binary System Ta2 O5 W O3. IV. The Structure of Ta38 W 98","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1031","1036","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106064","6.198","","40.29","","3.888","","90","","90","","90","","970.901","","","","","","","","","","","","","2","P 2 m m","P -2 2","25","","Ta2 O5","","- O5 Ta2 -","- O5 Ta2 -","- O55 Ta22 -","11","2.75","","Stephenson, N.C.; Roth, R.S.","Structural systematics in the binary system Ta2 O5 W O3. V. The structure of the low-temperature form of tantalum oxide L-Ta2 O5","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1037","1044","","","","","","","","","","","","","","","","","","","","","","has coordinates","303130","2025-11-01","10:28:41",""
"2106065","3.265","","9.18","","8.316","","90","","101.05","","90","","244.632","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Li3 B O3","","- B Li3 O3 -","- B Li3 O3 -","- B4 Li12 O12 -","4","1","","Stewner, F.","Die Kristallstruktur von alpha-Li3 B O3","Acta Crystallographica B (24,1968-38,1982)","1971","27","","904","910","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106066","9.87","","8.27","","9.83","","139.9","","94.8","","93.8","","504.294","","","","","","","","","","","","","3","P 1","P 1","1","","Al Se Cl7","","- Al Cl7 Se -","- Al Cl7 Se -","- Al2 Cl14 Se2 -","2","2","","Stork-Blaisse, B.A.; Romers, C.","The Crystal Structure of Al Se Cl7","Acta Crystallographica B (24,1968-38,1982)","1971","27","","386","392","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106067","4.242","","10.302","","6.868","","90","","90","","90","","300.139","","","","","","","","","","","","","3","C m c a","-C 2ac 2","64","","(U O2) (O H)2","","- H2 O4 U -","- O4 U -","- O16 U4 -","4","","","Taylor, J.C.","The structure of the alpha form of uranyl hydroxide","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1088","1091","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106068","12.94","","4.54","","5.92","","90","","90","","90","","347.786","","","","","","","","","","","","","3","B b m m","-B 2 2b","63","","K (P O3)","","- K O3 P -","- K O3 P -","- K4 O12 P4 -","4","0.25","","Jost, K.H.; Schulze, H.J.","Mechanismen der Phasentransformation des K (P O3) und die Struktur der Hoechsttemperatur Modifikation des K (P O3)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1345","1353","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106069","7.749","","6.736","","11.912","","90","","130.69","","90","","471.459","","","","","","","","","","","","","4","A 1 2/n 1","-A 2yab","15","","(C O)3 (N H)3","","- C3 H3 N3 O3 -","- C3 H3 N3 O3 -","- C12 H12 N12 O12 -","4","0.5","","Verschoor, G.C.; Keulen, E.","Electron density distribution in cyanuric acid. I. An x-ray diffraction study at low temperature","Acta Crystallographica B (24,1968-38,1982)","1971","27","","134","145","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:25",""
"2106071","8.13","","12.16","","5.42","","90","","101.5","","90","","525.069","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","N2 H6 Zr F6","","- F6 H6 N2 Zr -","- F6 N2 Zr -","- F24 N8 Zr4 -","4","0.5","","Kojic-Prodic, B.; Scavnicar, S.; Matkovic, B.","The Crystal Structure of Hydrazinium(2+) Hexafluorozirconate(IV), N2 H6 Zr F6","Acta Crystallographica B (24,1968-38,1982)","1971","27","","638","644","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106072","8.34","","8.34","","8.34","","90","","90","","90","","580.094","","","","","","","","","","","","","4","F d -3 m :1","F 4d 2 3 -1d","227","","Mn (Cr Co) O4","","- Co Cr Mn O4 -","- Co Cr Mn O4 -","- Co8 Cr8 Mn8 O32 -","8","0.0416667","","Kulkarni, D.K.; Mande, C.","X-ray Study of the Structural and Ionic Configuration of the Co Mn Cr O4 Spinel","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1044","1047","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106138","5.03","","5.03","","4.09","","90","","90","","120","","89.617","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Cu5 Tb -","- Cu5 Tb -","- Cu5 Tb -","1","0.0416667","","Buschow, K.H.J.; van der Goot, A.S.","Composition and crystal structure of hexagonal Cu-rich rare earth-copper compounds","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1085","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106139","5.005","","5.005","","4.097","","90","","90","","120","","88.88","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Cu5 Y -","- Cu5 Y -","- Cu5 Y -","1","0.0416667","","Buschow, K.H.J.; van der Goot, A.S.","Compositon abd crystal structure of hexagonal Cu-rich rare earth-copper compounds","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1085","1088","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106174","7.37","","8.26","","3.19","","90","","110.3","","90","","182.133","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Li (O H) (H2 O)","","- H3 Li O2 -","- H3 Li O2 -","- H12 Li4 O8 -","4","0.5","","Alcock, N.W.","Refinement of the crystal structure of lithium hydroxide monohydrate","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1682","1683","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106175","19.07","","24.42","","10.915","","90","","90","","90","","5083","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(N H4)10 (H2 W12 O42) (H2 O)10","","- H62 N10 O52 W12 -","- N10 O52 W12 -","- N40 O208 W48 -","4","0.5","","Allmann, R.","Die Struktur des Ammoniumparawolframates (N H4)10 (H2 W12 O42) (H2 O)10","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1393","1404","","","","","","","","","","","","","","","","","","","","","","has coordinates","146579","2020-10-21","18:00:00",""
"2106176","6.692","","11.04","","7.841","","90","","127.88","","90","","457.233","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(K (H2 P O3)) (H F)","","- F H3 K O3 P -","- F H3 K O3 P -","- F4 H12 K4 O12 P4 -","4","1","","Altenburg, H.; Mootz, D.","Die Wasserstoffbruecke vom Tyo F-H O. Die Kristallstruktur von K P H O2 (O H) (H F)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1982","1986","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106177","7.694","","11.916","","5.817","","102.3","","102.4","","105.9","","479.504","","","","","","","","","","","","","4","P -1","-P 1","2","","(Ni (H2 O)6) (N O3)2","","- H12 N2 Ni O12 -","- H12 N2 Ni O12 -","- H24 N4 Ni2 O24 -","2","1","","Bigoli, F.; Tiripicchio Camellini, M.; Tiripicchio, A.; Braibanti, A.","The crystal structures of nitrates of divalent hexaquocations. III. Hexaquonickel nitrate","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1427","1434","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:25",""
"2106178","6.87","","5.08","","9.1","","90","","111.2","","90","","296.093","","","","","","","","","","","","","5","P 1 c 1","P -2yc","7","","Zn ((N2 H3) (C O2))2","","- C2 H6 N4 O4 Zn -","- C2 H6 N4 O4 Zn -","- C4 H12 N8 O8 Zn2 -","2","1","","Bigoli, F.; Braibanti, A.; Tiripicchio, A.; Tiripicchio Camellini, M.","Structures of Chelates of Hydrazinecaboxylic Acid. Bis(hydrazinecarboxylato-N,O)-zinc","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2453","2457","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106180","9.59","","9.426","","9.29","","90","","127.8","","90","","663.551","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ca ((N2 H3) (C O2))2","","- C2 H6 Ca N4 O4 -","- C2 H6 Ca N4 O4 -","- C8 H24 Ca4 N16 O16 -","4","1","","Braibanti, A.; Lanfredi, A.M.M.; Pellinghelli, M.A.; Tiripicchio, A.","Crystal and molecular structure of anhydrous calcium hydrazinecarboxylate","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2448","2452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106182","15.293","","15.293","","10.449","","90","","90","","120","","2116.37","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","K7 (Th6 F31)","","- F31 K7 Th6 -","- F31 K7 Th6 -","- F93 K21 Th18 -","3","0.166667","","Brunton, G.","The crystal structure of K7 Th6 F31","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2290","2292","","","","","","","","","","","","","","","","","","","","","","has coordinates","146767","2020-10-21","18:00:00",""
"2106188","8.195","","8.195","","8.195","","90","","90","","90","","550.36","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Co As3","","- As3 Co -","- As3 Co -","- As24 Co8 -","8","0.166667","","Mandel, N.; Donohue, J.","The refinement of the crystal structure of skutterudite, Co As3","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2288","2289","","","","","","","","","","","","","","","","","","","","","","has coordinates","214433","2020-10-21","18:00:00",""
"2106190","10.759","","10.759","","5.656","","90","","90","","90","","654.716","","","","","","","","","","","","","1","P 42 n m","P 4n -2n","102","","","","- U -","- U -","- U30 -","30","3.75","","Donohue, J.; Einspahr, H.","The structure of beta-uranium","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1740","1743","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106192","8.95","","8.95","","8.902","","90","","90","","120","","617.539","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","(U Zn10.4)3.4","","- U3.4 Zn35.36 -","- U3.38 Zn35.24 -","- U3.38 Zn35.24 -","1","0.0416667","","Mason, J.T.; Chiotti, P.","The Crystal Structure of U Zn12","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1789","1792","","","","","","","","","","","","","","","","","","","","","","has coordinates","147035","2020-10-21","18:00:00",""
"2106193","11.95","","12.19","","14.08","","90","","141.2","","90","","1285.19","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","K Mg (Nb (O2)4) (H2 O)7","","- H14 K Mg Nb O15 -","- H14 K Mg Nb O15 -","- H56 K4 Mg4 Nb4 O60 -","4","1","","Mathern, G.; Weiss, R.","Structure des complexes peroxydiques des metaux de transition. III. structure cristalline du tetraperoxoniobate de potassium et de magnesium a sept molecules d'eau, K Mg Nb (O2)4 (H2 O)7","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1971","27","8","1598","1609","10.1107/s0567740871004412","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:25",""
"2106197","6.8673","","6.8673","","17.062","","90","","90","","120","","696.839","","","","","","","","","","","","","2","P 31","P 31","144","","","","- Fe7 S8 -","- Fe7 S8 -","- Fe21 S24 -","3","1","","Fleet, M.E.","The crystal structure of a pyrrhotite, (Fe7 S8)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1864","1867","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106198","6.557","","11.634","","9.464","","90","","90","","90","","721.953","","","","","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","(H3 O)2 (H2 P2 O6)","","- H8 O8 P2 -","- H8 O8 P2 -","- H32 O32 P8 -","4","0.5","","Mootz, D.; Altenburg, H.","Kristallstrukturen von Saeurehydraten und Oxoniumsalzen. VI. Dioxonium-dihydrogenhypophosphat, (H3 O)2 (H2 P2 O6)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1520","1523","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:25",""
"2106199","3.88","","3.88","","4.12","","90","","90","","90","","62.024","","133.15","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","","","- Cs I -","- Cs I -","- Cs2 I2 -","2","0.125","","Morlin, Z.","Phase transformation of thin cesium iodide layers at low temperatures","Acta Crystallographica, Section B: Structural Crystallography and Crystal Chemistry","1971","27","12","2493","2494","10.1107/s0567740871006125","","electron","","","","","","","","","","","","","","","","","","","has coordinates","302834","2025-10-07","14:06:35",""
"2106200","6.93","","11.86","","3.86","","90","","90","","90","","317.253","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Na2 (Mn Cl4)","","- Cl4 Mn Na2 -","- Cl4 Mn Na2 -","- Cl8 Mn2 Na4 -","2","0.25","","Goodyear, J.; Ali, S.A.D.; Steigmann, G.A.","The crystal structure of Na2 Mn Cl4","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1672","1674","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106202","9.185","","9.326","","5.749","","90","","90","","90","","492.455","","","","","","","","","","","","","3","P n 21 a","P -2ac -2n","33","","P O Cl3","","- Cl3 O P -","- Cl3 O P -","- Cl12 O4 P4 -","4","1","","Olie, K.","The crystal structure of P O Cl3","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1459","1460","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:25",""
"2106203","4.24","","4.24","","47.845","","90","","90","","120","","744.902","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","","","- Cd I2 -","- Cd I2 -","- Cd7 I14 -","7","1.16667","","Gulzari, L.; Chadha, G.K.; Trigunayat, G.C.","Crystal structures of six new polytypes of cadmium iodide","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2293","2298","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106204","4.24","","4.24","","54.68","","90","","90","","120","","851.316","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","","","- Cd I2 -","- Cd I2 -","- Cd8 I16 -","8","1.33333","","Gulzari, L.; Chadha, G.K.; Trigunayat, G.C.","Crystal structures of six new polytypes of cadmium iodide","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2293","2298","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106205","4.24","","4.24","","68.35","","90","","90","","120","","1064.15","","","","","","","","","","","","","2","P 3 m 1","P 3 -2""","156","","","","- Cd I2 -","- Cd I2 -","- Cd10 I20 -","10","1.66667","","Gulzari, L.; Chadha, G.K.; Trigunayat, G.C.","Crystal structures of six new polytypes of cadmium iodide","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2293","2298","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106206","8.171","","12.815","","14.035","","90","","90","","90","","1469.62","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","S6 (N H)2","","- H2 N2 S6 -","- H2 N2 S6 -","- H16 N16 S48 -","8","1","","Postma, H.J.; van Bolhuis, F.; Vos, A.","The molecular and crystal structure of cyclohexasulphur-1,3-diimide, S6 (N H)2 isomer III","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2480","2486","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:25",""
"2106208","9.43","","4.063","","18.378","","90","","109.34","","90","","664.402","","","","","","","","","","","","","2","P 1 21 1","P 2yb","4","","","","- In6 Se7 -","- In6 Se7 -","- In12 Se14 -","2","1","","Hogg, J.H.C.","The crystal structure of In6 Se7","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1630","1634","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106211","11.064","","12.104","","7.134","","90","","95.704","","90","","950.645","","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(N H4)3 Ce F7 (H2 O)","","- Ce F7 H14 N3 O -","- Ce F7 H14 N3 O -","- Ce4 F28 H56 N12 O4 -","4","1","","Ryan, R.R.; Penneman, R.A.","The Crystal Structure of Ammonium Heptafluorocerate(IV) Monohydrate, Hydrogen Bonding to the Dimer Ce2 F14(6-)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1939","1943","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106213","11.034","","17.569","","5.024","","90","","90","","90","","973.934","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- Cu3.85 Mo3 O12 -","- Cu3.85 Mo3 O12 -","- Cu15.4 Mo12 O48 -","4","1","","Katz, L.; Kasenally, A.; Kihlborg, L.","The Crystal Structure of the Reduced Copper Molybdate, Cu4-x Mo3 O12 (x=.15)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2071","2077","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106214","7.659","","14.613","","6.875","","90","","90","","90","","769.457","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- Cu3 Mo2 O9 -","- Cu3 Mo2 O9 -","- Cu12 Mo8 O36 -","4","1","","Kihlborg, L.; Norrestam, R.; Olivecrona, B.","The crystal structure of Cu3 Mo2 O9","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2066","2070","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106215","5.6438","","6.2867","","9.9372","","90","","90","","90","","352.581","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","(U O2) (O H)2","","- H2 O4 U -","- H2 O4 U -","- H8 O16 U4 -","4","0.5","","Taylor, J.C.; Hurst, H.J.","The hydrogen atom locations in the alpha and beta forms of uranyl hydroxide","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2018","2022","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106216","9.467","","9.938","","6.192","","90","","90","","90","","582.562","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","P O Br3","","- Br3 O P -","- Br3 O P -","- Br12 O4 P4 -","4","0.5","","Templeton, L.K.; Templeton, D.H.","The crystal structure of P O Br3. Space group and refinement by least squares","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1678","1679","","","","","","","","","","","","","","","","","","","","","","has coordinates","301802","2025-08-19","10:19:25",""
"2106217","15.482","","15.482","","15.482","","90","","90","","90","","3710.92","","","","","","","","","","","","","2","I m -3","-I 2 2 3","204","","Y Cd6","","- Cd6 Y -","- Cd5.99767 Y -","- Cd143.944 Y24 -","24","0.5","","Larson, A.C.; Cromer, D.T.","The crystal structure of Y Cd6","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1875","1879","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106222","11.81","","9.054","","8.911","","118.88","","109.89","","89.42","","770.683","","","","","","","","","","","","","5","P -1","-P 1","2","","Cs3 Cu2 Cl7 (H2 O)2","","- Cl7 Cs3 Cu2 H4 O2 -","- Cl7 Cs3 Cu2 H4 O2 -","- Cl14 Cs6 Cu4 H8 O4 -","2","1","","Vogt, W.; Haas, H.","Kristallstruktur und Kernmagnetische Resonanz von Cs3 Cu2 Cl7 (H2 O)2","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1528","1532","","","","","","","","","","","","","","","","","","","","","","has coordinates","194538","2020-10-21","18:00:00",""
"2106223","11.43","","5.96","","6.34","","90","","102.1","","90","","422.303","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Na2 Si O3 (H2 O)6","","- H12 Na2 O9 Si -","- H12 Na2 O9 Si -","- H24 Na4 O18 Si2 -","2","1","","Williams, P.P.; Dent Glasser, L.S.","Sodium Silicate Hydrates. IV. Location of Hydrogen Atoms in (Na2 O) (Si O2) (H2 O)6 by Neutron Diffraction","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2269","2275","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106224","12.273","","13.646","","12.777","","90","","90","","90","","2139.86","","","","","","","","","","","","","4","C m c a","-C 2ac 2","64","","Cu3 (C N)4 (N H3)3","","- C4 H9 Cu3 N7 -","- C4 Cu3 N7.01 -","- C32 Cu24 N56.08 -","8","","","Williams, R.J.; Cromer, D.T.; Larson, A.C.","The Crystal Structure of a Mixed Valence Copper Cyanide Complex, Cu3 (N H3)3 (C N)4","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1701","1706","","","","","","","","","","","","","","","","","","","","","","has coordinates","148229","2020-10-21","18:00:00",""
"2106365","10.404","","10.404","","10.404","","90","","90","","90","","1126.16","","","","","","","","","","","","","4","I a -3","-I 2b 2c 3","206","","(N2 H6) (Ti F6)","","- F6 H6 N2 Ti -","- F6 N2 Ti -","- F48 N16 Ti8 -","8","0.166667","","Kojic-Prodic, B.; Matkovic, B.; Scavnicar, S.","The crystal structure of hydrazinium(+2) hexafluorotitanate(IV), N2 H6 Ti F6","Acta Crystallographica B (24,1968-38,1982)","1971","27","","635","637","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106414","13.944","","7.928","","7.041","","90","","90","","90","","778.369","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(N H4)3 Th F7","","- F7 H12 N3 Th -","- F7 N3 Th -","- F28 N12 Th4 -","4","0.5","","Penneman, R.A.; Ryan, R.R.; Kressin, I.K.","The Crystal Structure of Ammonium Heptafluorothorate, Ammonium Catena-di-mue-fluoro-pentafluorothorate(IV)","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2279","2283","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106427","7.848","","12.84","","10.785","","90","","90","","90","","1086.79","","","","","","","","","","","","","3","C m c 21","C 2c -2","36","","K5 Th F9","","- F9 K5 Th -","- F9 K5 Th -","- F36 K20 Th4 -","4","0.5","","Ryan, R.R.; Penneman, R.A.","The Crystal Structure of Potassium Enneafluorothorate","Acta Crystallographica B (24,1968-38,1982)","1971","27","","829","833","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106473","14.919","","14.919","","7.609","","90","","90","","90","","1693.58","","","","","","","","","","","","","3","I 4","I 4","79","","Ba (Fe F5)","","- Ba F5 Fe -","- Ba F5 Fe -","- Ba16 F80 Fe16 -","16","2","","von der Muehll, R.; Andersson, S.; Galy, J.","Sur quelques fluometallates alcalino-terreux. I. Structure cristalline de Ba Fe F5 et Sr Al F5","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2345","2353","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106474","14.089","","14.089","","7.617","","90","","90","","90","","1511.97","","","","","","","","","","","","","3","I 4","I 4","79","","Sr (Al F5)","","- Al F5 Sr -","- Al F5 Sr -","- Al16 F80 Sr16 -","16","2","","von der Muehll, R.; Andersson, S.; Galy, J.","Sur quelques fluometallates alcalino-terreux. I. Structure cristalline de Ba Fe F5 et Sr Al F5","Acta Crystallographica B (24,1968-38,1982)","1971","27","","2345","2353","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106787","8.649","","8.176","","7.4453","","90","","90","","90","","526.489","","","","","","","","","","","","","3","P 21 m a","P -2a 2a","26","","Rb Th3 F13","","- F13 Rb Th3 -","- F13 Rb Th3 -","- F26 Rb2 Th6 -","2","0.5","","Brunton, G.","The Crystal Structure of Rb Th3 F13","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1823","1826","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106788","11.52","","11.222","","7.868","","90","","98.3","","90","","1006.5","","","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","Rb5 Zr4 F21","","- F21 Rb5 Zr4 -","- F21 Rb5 Zr4 -","- F42 Rb10 Zr8 -","2","1","","Brunton, G.","The Crystal Structure of Rb5 Zr4 F21","Acta Crystallographica B (24,1968-38,1982)","1971","27","","1944","1948","","","","","","","","","","","","","","","","","","","","","","has coordinates","158752","2020-10-21","18:00:00",""
"2107066","3.875","","3.875","","27.39","","90","","90","","120","","356.177","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","Th3 N4","","- N4 Th3 -","- N4 Th3 -","- N12 Th9 -","3","0.0833333","","Bowman, A.L.; Arnold, G.P.","The crystal structure of Th3 N4","Acta Crystallographica B (24,1968-38,1982)","1971","27","","243","243","","","","","","","","","","","","","","","","","","","","","","has coordinates","166240","2020-10-21","18:00:00",""
"2300517","4.33","","4.33","","4.33","","90","","90","","90","","81.183","","","","","","","","","","","","Synthetic","1","F m -3 m","-F 4 2 3","225","","","Thallium","- Tl -","- Tl -","- Tl4 -","4","0.0208333","","Olsen, J.S.; Steenstrup, S.; Geward, L.; Johnson, E.","A high-pressure study of thallium","Journal of Applied Crystallography","1994","27","","1002","1005","","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:12:40",""
"2300518","3.463","","3.463","","5.539","","90","","90","","120","","57.526","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","","- Tl -","- Tl -","- Tl2 -","2","0.0833333","","Olsen, J.S.; Johnson, E.; Geward, L.; Steenstrup, S.","A high-pressure study of thallium","Journal of Applied Crystallography","1994","27","","1002","1005","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2311057","12.49","","12.49","","12.49","","90","","90","","90","","1948.44","","","","","","","","","","","","","5","I a -3 d","-I 4bd 2c 3","230","","Ca3 Fe2 Si1.15 O4.6 (O H)7.4","","- Ca3 Fe2 H7.4 O12 Si1.15 -","- Ca3 Fe2 H7.4004 O12 Si1.14 -","- Ca24 Fe16 H59.2032 O96 Si9.12 -","8","0.0833333","","Cohen-Addad, C.","Etude du compose Ca3 Fe2 (Si O4)1.15 (O H)7.4 par absorption infrarouge et diffraction des rayons X et des neutrons","Acta Crystallographica A (24,1968-38,1982)","1971","27","","68","70","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"3000174","24.4901","0.0004","24.4901","0.0004","24.4901","0.0004","90","","90","","90","","14688.3","0.4","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al4.8 Na0.7 O24 Si7.2 -","- Al4.8 Na0.704 O24.318 Si7.2 -","- Al76.8 Na11.264 O389.088 Si115.2 -","16","0.0833333","","Jenny G. Vitillo; Torstein Fjermestad; Maddalena D Amore; Marco Milanesio; Luca Palin; Gabriele Ricchiardi; Silvia Bordiga","On the Structure of Superbasic (MgO)n sites solvated in a Faujasite Zeolite","Physical Chemistry Chemical Physics","2018","27","","18503","","10.1039/c8cp01788c","","","","","","","","","","","","","","","","","","","","","has coordinates","250502","2020-10-21","18:00:00",""
"3000175","24.4379","0.0004","24.4379","0.0004","24.4379","0.0004","90","","90","","90","","14594.6","0.4","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al4.8 Mg0.45 O25.1 Si7.2 -","- Al4.8 Mg0.454 O25.096 Si7.2 -","- Al76.8 Mg7.264 O401.536 Si115.2 -","16","0.0833333","","Jenny G. Vitillo; Torstein Fjermestad; Maddalena D Amore; Marco Milanesio; Luca Palin; Gabriele Ricchiardi; Silvia Bordiga","On the Structure of Superbasic (MgO)n sites solvated in a Faujasite Zeolite","Physical Chemistry Chemical Physics","2018","27","","18503","","10.1039/c8cp01788c","","","","","","","","","","","","","","","","","","","","","has coordinates","250503","2020-10-21","18:00:00",""
"4002128","6.3964","0.0005","11.0864","0.0009","12.4048","0.001","90","","99.867","0.005","90","","866.65","0.12","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Lithium Tin Sulfide","Lithium Tin Sulfide","","- Li2 S3 Sn -","- Li2 S3 Sn -","- Li16 S24 Sn8 -","8","1","","Brant, Jacilynn A.; Massi, Danielle M.; Holzwarth, N. A. W.; MacNeil, Joseph H.; Douvalis, Alexios P.; Bakas, Thomas; Martin, Steve W.; Gross, Michael D.; Aitken, Jennifer A.","Fast Lithium Ion Conduction in Li2SnS3: Synthesis, Physicochemical Characterization, and Electronic Structure","Chemistry of Materials","2015","27","1","189","","10.1021/cm5037524","","","0.71073","MoKα","","0.0174","0.0131","","","0.0286","0.0302","","","","","","1.056","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002129","9.6012","0.0003","9.6449","0.0003","12.563","0.0004","90","","97.04","0.001","90","","1154.6","0.06","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Mn5 O18 -","- C16 H16 Mn5 O18 -","- C32 H32 Mn10 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.034","0.0263","","","0.0645","0.0683","","","","","","1.048","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002130","9.4796","0.0005","9.4223","0.0004","12.4759","0.0006","90","","96.722","0.003","90","","1106.68","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Fe5 O18 -","- C16 H16 Fe5 O18 -","- C32 H32 Fe10 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0646","0.0455","","","0.1127","0.1274","","","","","","1.073","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002131","9.4189","0.0004","9.3268","0.0003","12.3715","0.0005","90","","96.769","0.001","90","","1079.24","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co5 O18 -","- C16 H16 Co5 O18 -","- C32 H32 Co10 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0235","0.0203","","","0.0525","0.0538","","","","","","1.089","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002132","9.4427","0.0001","9.3732","0.0001","12.3909","0.0002","90","","96.822","0.001","90","","1088.93","0.02","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co Mn4 O18 -","- C16 H16 Co4.048 Mn0.95 O18 -","- C32 H32 Co8.096 Mn1.9 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0285","0.0217","","","0.0529","0.0556","","","","","","1.012","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002133","9.5092","0.0001","9.4843","0.0001","12.4522","0.0002","90","","96.874","0.001","90","","1114.97","0.02","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co2.5 Mn2.5 O18 -","- C16 H16 Co2.087 Mn2.901 O18 -","- C32 H32 Co4.174 Mn5.802 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0216","0.0188","","","0.0502","0.0515","","","","","","1.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002134","9.5376","0.0003","9.5266","0.0003","12.4771","0.0003","90","","96.938","0.001","90","","1125.38","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co1.25 Mn3.75 O18 -","- C16 H16 Co1.873 Mn3.101 O18 -","- C32 H32 Co3.746 Mn6.202 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0301","0.0225","","","0.0572","0.0608","","","","","","1.03","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002135","9.5632","0.0001","9.5665","0.0001","12.5036","0.0001","90","","96.994","0.001","90","","1135.4","0.019","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co1.25 Mn3.75 O18 -","- C16 H16 Co1.28 Mn3.701 O18 -","- C32 H32 Co2.56 Mn7.402 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0335","0.0241","","","0.0598","0.0641","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002136","9.4194","0.0009","9.3271","0.0008","12.3699","0.0011","90","","96.78","0.002","90","","1079.17","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co4.2 Fe0.8 O18 -","- C16 H16 Co4.19 Fe0.81 O18 -","- C32 H32 Co8.38 Fe1.62 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0386","0.0265","","","0.0602","0.0644","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002137","9.448","0.003","9.368","0.003","12.418","0.004","90","","96.601","0.007","90","","1091.8","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co2.9 Fe2.1 O18 -","- C16 H16 Co2.9 Fe2.1 O18 -","- C32 H32 Co5.8 Fe4.2 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0568","0.0441","","","0.1121","0.1217","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002138","9.4574","0.0004","9.3706","0.0003","12.4237","0.0005","90","","96.7299","0.0009","90","","1093.42","0.07","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co2.3 Fe2.7 O18 -","- C16 H16 Co2.3 Fe2.7 O18 -","- C32 H32 Co4.6 Fe5.4 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0348","0.0253","","","0.0582","0.0614","","","","","","1.057","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002139","9.4649","0.0003","9.3881","0.0003","12.4407","0.0004","90","","96.7263","0.0012","90","","1097.84","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co1.5 Fe3.5 O18 -","- C16 H16 Co1.49 Fe3.51 O18 -","- C32 H32 Co2.98 Fe7.02 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0454","0.0292","","","0.0617","0.067","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002140","9.4716","0.0005","9.4045","0.0005","12.4596","0.0006","90","","96.705","0.002","90","","1102.26","0.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Co0.95 Fe4.05 O18 -","- C16 H16 Co0.95 Fe4.07 O18 -","- C32 H32 Co1.9 Fe8.14 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0452","0.0326","","","0.096","0.1018","","","","","","1.165","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002141","9.5048","0.001","9.4721","0.001","12.4969","0.0013","90","","96.884","0.002","90","","1117","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Fe5 O18 -","- C16 H16 Fe5 O18 -","- C32 H32 Fe10 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0413","0.029","","","0.0686","0.0735","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002142","9.5106","0.0018","9.4976","0.0019","12.493","0.002","90","","96.947","0.006","90","","1120.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Fe5 O18 -","- C16 H16 Fe5 O18 -","- C32 H32 Fe10 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.075","0.0434","","","0.0961","0.109","","","","","","1.03","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002143","9.5471","0.0006","9.5715","0.0006","12.5302","0.0007","90","","97.031","0.002","90","","1136.4","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Mn5 O18 -","- C16 H16 Mn5 O18 -","- C32 H32 Mn10 O36 -","2","0.5","","Sibille, Romain; Mazet, Thomas; Malaman, Bernard; Wang, Qirong; Didelot, Emilie; François, Michel","Site-Dependent Substitutions in Mixed-Metal Metal‒Organic Frameworks: A Case Study and Guidelines for Analogous Systems","Chemistry of Materials","2015","27","1","133","","10.1021/cm503570f","","","0.71073","MoKα","","0.0474","0.031","","","0.0694","0.076","","","","","","1.005","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002144","10.0421","0.0003","15.3656","0.0004","5.5778","0.0002","90","","90","","90","","860.67","0.05","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- Ca2 Ge Pd2 -","- Ca2 Ge Pd2 -","- Ca16 Ge8 Pd16 -","8","0.5","","Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.","Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability","Chemistry of Materials","2015","27","1","304","","10.1021/cm503985h","","","0.71073","MoKα","","0.0207","0.0175","","","0.0378","0.0384","","","","","","1.2","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002145","9.6427","0.0003","5.6488","0.0006","7.9236","0.0004","90","","102.13","0.004","90","","421.96","0.05","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ca2 Ge Pt2 -","- Ca2 Ge Pt2 -","- Ca8 Ge4 Pt8 -","4","0.5","","Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.","Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability","Chemistry of Materials","2015","27","1","304","","10.1021/cm503985h","","","0.71069","MoKα","","0.0464","0.0293","","","0.0556","0.0584","","","","","","0.891","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002146","10.017","0.002","5.7669","0.0012","7.7421","0.0015","90","","102.54","0.03","90","","436.57","0.16","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Al Ca2 Pd2 -","- Al Ca2 Pd2 -","- Al4 Ca8 Pd8 -","4","0.5","","Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.","Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability","Chemistry of Materials","2015","27","1","304","","10.1021/cm503985h","","","0.71073","MoKα","","0.0209","0.0178","","","0.0408","0.0424","","","","","","1.021","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002147","9.804","0.0008","5.7411","0.0005","7.7307","0.0007","90","","101.889","0.007","90","","425.79","0.06","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Al Ca2 Pt2 -","- Al Ca2 Pt2 -","- Al4 Ca8 Pt8 -","4","0.5","","Doverbratt, Isa; Ponou, Siméon; Zhang, Yuemei; Lidin, Sven; Miller, Gordon J.","Linear Metal Chains in Ca2M2X (M = Pd, Pt; X = Al, Ge): Origin of the Pairwise Distortion and Its Role in the Structure Stability","Chemistry of Materials","2015","27","1","304","","10.1021/cm503985h","","","0.71073","MoKα","","0.0329","0.0296","","","0.0715","0.073","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002148","34.4789","0.0009","29.8973","0.0006","16.2075","0.0004","90","","109.005","0.002","90","","15796.4","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H43 N14 O Zn2 -","- C54 H43 N14 O Zn2 -","- C432 H344 N112 O8 Zn16 -","8","1","","Fu, Hong-Ru; Xu, Zhong-Xuan; Zhang, Jian","Water-Stable Metal‒Organic Frameworks for Fast and High Dichromate Trapping via Single-Crystal-to-Single-Crystal Ion Exchange","Chemistry of Materials","2015","27","1","205","","10.1021/cm503767r","","","1.54178","CuKα","","0.0591","0.0464","","","0.1353","0.1441","","","","","","1.056","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002149","28.4095","0.0012","28.0922","0.0011","9.4743","0.0005","90","","90","","90","","7561.3","0.6","100","2","100","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C27 H23 N7 O Zn -","- C27 H23 N7 O Zn -","- C216 H184 N56 O8 Zn8 -","8","1","","Fu, Hong-Ru; Xu, Zhong-Xuan; Zhang, Jian","Water-Stable Metal‒Organic Frameworks for Fast and High Dichromate Trapping via Single-Crystal-to-Single-Crystal Ion Exchange","Chemistry of Materials","2015","27","1","205","","10.1021/cm503767r","","","1.54178","CuKα","","0.1057","0.0805","","","0.2377","0.2657","","","","","","1.003","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002150","35.157","0.008","29.716","0.006","16.278","0.004","90","","109.757","0.004","90","","16005","6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H41 Cr2 N14 O8 Zn2 -","- C54 H41 Cr2 N14 O8 Zn2 -","- C432 H328 Cr16 N112 O64 Zn16 -","8","1","","Fu, Hong-Ru; Xu, Zhong-Xuan; Zhang, Jian","Water-Stable Metal‒Organic Frameworks for Fast and High Dichromate Trapping via Single-Crystal-to-Single-Crystal Ion Exchange","Chemistry of Materials","2015","27","1","205","","10.1021/cm503767r","","","0.71073","MoKα","","0.1286","0.1085","","","0.3157","0.3348","","","","","","1.175","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002151","3.78733","0.00014","3.78733","0.00014","5.5144","0.0003","90","","90","","90","","79.098","0.006","295","","295","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Fe0.91 Se -","- Fe0.91 Se -","- Fe1.82 Se2 -","2","0.125","","Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill","A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity","Chemistry of Materials","2015","27","2","588","","10.1021/cm5041612","powder diffraction","x-ray","0.413734","","","0.0699","0.0716","","0.0668","0.0666","","","","0.97","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002152","3.77354","0.00005","3.77354","0.00005","5.52226","0.00012","90","","90","","90","","78.635","0.002","295","","295","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Fe Se -","- Fe0.996 Se -","- Fe1.992 Se2 -","2","0.125","","Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill","A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity","Chemistry of Materials","2015","27","2","588","","10.1021/cm5041612","powder diffraction","x-ray","0.41373","","","0.0542","0.0538","","0.045","0.0448","","","","0.94","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002153","3.78372","0.00013","3.78372","0.00013","5.512","0.0003","90","","90","","90","","78.913","0.006","293","","293","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Fe0.925 Se -","- Fe0.926 Se -","- Fe1.852 Se2 -","2","0.125","","Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill","A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity","Chemistry of Materials","2015","27","2","588","","10.1021/cm5041612","powder diffraction","x-ray","0.413685","","","0.0663","0.0651","","0.0605","0.0603","","","","0.99","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002154","3.77233","0.00004","3.77233","0.00004","5.52249","0.0001","90","","90","","90","","78.5876","0.0018","293","","293","","","","","","","","","2","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Fe Se -","- Fe1.001 Se -","- Fe2.002 Se2 -","2","0.125","","Greenfield, Joshua T.; Kamali, Saeed; Lee, Kathleen; Kovnir, Kirill","A Solution for Solution-Produced β-FeSe: Elucidating and Overcoming Factors that Prevent Superconductivity","Chemistry of Materials","2015","27","2","588","","10.1021/cm5041612","powder diffraction","x-ray","0.413685","","","0.0481","0.0472","","0.0455","0.0455","","","","1","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4002155","7.188","0.005","23.171","0.019","7.044","0.005","90","","116.25","0.03","90","","1052.2","1.4","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Ga2 Pb Se6 Si -","- Ga2 Pb Se6 Si -","- Ga8 Pb4 Se24 Si4 -","4","1","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cui, Hong-Hua; Zhang, Wei-Long; Zhang, Hao; Chen, Hong; He, Zhang-Zhen; Cheng, Wen-Dan","PbGa2MSe6(M = Si, Ge): Two Exceptional Infrared Nonlinear Optical Crystals","Chemistry of Materials","2015","27","3","914","","10.1021/cm504195x","","","0.71073","MoKα","","0.0503","0.0368","","","0.0774","0.1209","","","","","","0.962","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002156","47.135","0.016","7.578","0.003","12.161","0.004","90","","90","","90","","4344","3","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- Ga2 Ge Pb Se6 -","- Ga2 Ge Pb Se6 -","- Ga32 Ge16 Pb16 Se96 -","16","1","","Luo, Zhong-Zhen; Lin, Chen-Sheng; Cui, Hong-Hua; Zhang, Wei-Long; Zhang, Hao; Chen, Hong; He, Zhang-Zhen; Cheng, Wen-Dan","PbGa2MSe6(M = Si, Ge): Two Exceptional Infrared Nonlinear Optical Crystals","Chemistry of Materials","2015","27","3","914","","10.1021/cm504195x","","","0.71073","MoKα","","0.0315","0.0269","","","0.0492","0.0507","","","","","","0.946","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4002162","7.2931","0.0015","15.612","0.003","13.557","0.003","90","","106.64","0.03","90","","1479","0.6","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- K Nb2 P Se10 -","- K Nb2 P Se10 -","- K4 Nb8 P4 Se40 -","4","2","","Syrigos, Jonathan C.; Clark, Daniel J.; Saouma, Felix O.; Clarke, Samantha M.; Fang, Lei; Jang, Joon I.; Kanatzidis, Mercouri G.","Semiconducting Properties and Phase-Matching Nonlinear Optical Response of the One-Dimensional Selenophosphates ANb2PSe10(A = K, Rb, and Cs)","Chemistry of Materials","2015","27","1","255","","10.1021/cm5038217","","","0.71073","MoKα","","0.0728","0.0571","","","0.1307","0.1386","","","","","","1.063","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002163","7.381","0.0015","7.8359","0.0016","13.564","0.003","90","","106.75","0.03","90","","751.2","0.3","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Nb2 P Rb Se10 -","- Nb2 P Rb Se10 -","- Nb4 P2 Rb2 Se20 -","2","1","","Syrigos, Jonathan C.; Clark, Daniel J.; Saouma, Felix O.; Clarke, Samantha M.; Fang, Lei; Jang, Joon I.; Kanatzidis, Mercouri G.","Semiconducting Properties and Phase-Matching Nonlinear Optical Response of the One-Dimensional Selenophosphates ANb2PSe10(A = K, Rb, and Cs)","Chemistry of Materials","2015","27","1","255","","10.1021/cm5038217","","","0.71073","MoKα","","0.06","0.0461","","","0.1067","0.1239","","","","","","1.055","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002164","14.6257","0.0007","7.8097","0.0004","13.5533","0.0006","90","","98.557","0.004","90","","1530.86","0.13","293","2","293","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- Cs Nb2 P Se10 -","- Cs Nb2 P Se10 -","- Cs4 Nb8 P4 Se40 -","4","2","","Syrigos, Jonathan C.; Clark, Daniel J.; Saouma, Felix O.; Clarke, Samantha M.; Fang, Lei; Jang, Joon I.; Kanatzidis, Mercouri G.","Semiconducting Properties and Phase-Matching Nonlinear Optical Response of the One-Dimensional Selenophosphates ANb2PSe10(A = K, Rb, and Cs)","Chemistry of Materials","2015","27","1","255","","10.1021/cm5038217","","","0.71073","MoKα","","0.082","0.0577","","","0.1108","0.1214","","","","","","1.085","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002165","6.2778","0.0013","11.601","0.002","14.431","0.003","90","","90","","90","","1051","0.4","293","","293","","","","","","","","synthesis as described","3","I b a m","-I 2 2c","72","","","","- Cs2 Hg3 S4 -","- Cs2 Hg3 S4 -","- Cs8 Hg12 S16 -","4","0.25","","Islam, Saiful M.; Vanishri, S.; Li, Hao; Stoumpos, Constantinos C.; Peters, John. A.; Sebastian, Maria; Liu, Zhifu; Wang, Shichao; Haynes, Alyssa S.; Im, Jino; Freeman, Arthur J.; Wessels, Bruce; Kanatzidis, Mercouri G.","Cs2Hg3S4: A Low-Dimensional Direct Bandgap Semiconductor","Chemistry of Materials","2015","27","1","370","","10.1021/cm504089r","","x-ray","0.71073","MoKα","","0.0512","0.0403","","","0.0825","0.0892","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002166","16.693","0.002","16.693","0.002","22.577","0.005","90","","90","","90","","6291.2","1.8","90","2","90","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Ca14 Mg Sb11 -","- Ca14 Mg Sb10.908 -","- Ca112 Mg8 Sb87.264 -","8","0.25","","Hu, Yufei; Wang, Jian; Kawamura, Airi; Kovnir, Kirill; Kauzlarich, Susan M.","Yb14MgSb11and Ca14MgSb11—New Mg-Containing Zintl Compounds and Their Structures, Bonding, and Thermoelectric Properties","Chemistry of Materials","2015","27","1","343","","10.1021/cm504059t","","","0.71073","MoKα","","0.0792","0.0394","","","0.0752","0.0907","","","","","","1.006","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002167","16.625","0.009","16.625","0.009","22.24","0.02","90","","90","","90","","6147","7","90","2","90","2","","","","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","","- Mg Sb11 Yb14 -","- Mg Sb11 Yb14 -","- Mg8 Sb88 Yb112 -","8","0.25","","Hu, Yufei; Wang, Jian; Kawamura, Airi; Kovnir, Kirill; Kauzlarich, Susan M.","Yb14MgSb11and Ca14MgSb11—New Mg-Containing Zintl Compounds and Their Structures, Bonding, and Thermoelectric Properties","Chemistry of Materials","2015","27","1","343","","10.1021/cm504059t","","","0.71073","MoKα","","0.0256","0.0194","","","0.0381","0.0398","","","","","","1.143","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002168","10.8196","0.0008","7.2809","0.0004","11.326","0.0009","90","","107.695","0.008","90","","850.01","0.11","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- Al B4 H18 N -","- Al B4 H18 N -","- Al4 B16 H72 N4 -","4","1","","Dovgaliuk, Iurii; Le Duff, Cécile S.; Robeyns, Koen; Devillers, Michel; Filinchuk, Yaroslav","Mild Dehydrogenation of Ammonia Borane Complexed with Aluminum Borohydride","Chemistry of Materials","2015","27","3","768","","10.1021/cm503601h","","","0.71073","MoKα","","0.0895","0.0645","","","0.1618","0.1801","","","","","","1.06","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002169","7.8585","0.0002","6.86473","0.00014","15.7136","0.0008","90","","96.429","0.004","90","","842.36","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Al B4 H18 N -","- Al B4 H18 N -","- Al4 B16 H72 N4 -","4","1","","Dovgaliuk, Iurii; Le Duff, Cécile S.; Robeyns, Koen; Devillers, Michel; Filinchuk, Yaroslav","Mild Dehydrogenation of Ammonia Borane Complexed with Aluminum Borohydride","Chemistry of Materials","2015","27","3","768","","10.1021/cm503601h","","","0.82103","synchrotron","","0.0301","0.028","","","0.0768","0.078","","","","","","1.082","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002171","8.2365","0.0003","12.1468","0.0005","24.7923","0.0011","90","","90","","90","","2480.4","0.18","175","","175","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H36 B2 Mg O16 -","- C14 H36 B2 Mg O16 -","- C56 H144 B8 Mg4 O64 -","4","0.5","","Sene, Saad; Bégu, Sylvie; Gervais, Christel; Renaudin, Guillaume; Mesbah, Adel; Smith, Mark E.; Mutin, P. Hubert; van der Lee, Arie; Nedelec, Jean-Marie; Bonhomme, Christian; Laurencin, Danielle","Intercalation of Benzoxaborolate Anions in Layered Double Hydroxides: Toward Hybrid Formulations for Benzoxaborole Drugs","Chemistry of Materials","2015","27","4","1242","","10.1021/cm504181w","","","0.71073","MoKα","","0.0481","0.0362","","0.0874","0.0821","0.0874","","","","","","1.007","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002172","10.4309","0.0003","14.533","0.0004","16.1153","0.0005","98.105","0.003","98.045","0.002","101.478","0.002","2334.38","0.12","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C42 H52 B6 Ca3 O20 -","- C42 H52 B6 Ca3 O20 -","- C84 H104 B12 Ca6 O40 -","2","1","","Sene, Saad; Bégu, Sylvie; Gervais, Christel; Renaudin, Guillaume; Mesbah, Adel; Smith, Mark E.; Mutin, P. Hubert; van der Lee, Arie; Nedelec, Jean-Marie; Bonhomme, Christian; Laurencin, Danielle","Intercalation of Benzoxaborolate Anions in Layered Double Hydroxides: Toward Hybrid Formulations for Benzoxaborole Drugs","Chemistry of Materials","2015","27","4","1242","","10.1021/cm504181w","","","0.71073","MoKα","","0.0699","0.0513","","","0.119","0.1217","","","","","","1.832","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002173","11.233986","0.000014","30.92293","0.00004","8.6602","0.000013","90","","135.414","0.00006","90","","2111.87","0.005","290","","290","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H60 B4 Mg2 O26 -","- C28 H60 B4 Mg2 O26 -","- C56 H120 B8 Mg4 O52 -","2","0.5","","Sene, Saad; Bégu, Sylvie; Gervais, Christel; Renaudin, Guillaume; Mesbah, Adel; Smith, Mark E.; Mutin, P. Hubert; van der Lee, Arie; Nedelec, Jean-Marie; Bonhomme, Christian; Laurencin, Danielle","Intercalation of Benzoxaborolate Anions in Layered Double Hydroxides: Toward Hybrid Formulations for Benzoxaborole Drugs","Chemistry of Materials","2015","27","4","1242","","10.1021/cm504181w","powder diffraction","","0.999942","synchrotron","","","","","","","","","5.6949","1.47","","","","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002175","10.8672","0.0011","3.1543","0.0003","6.35","0.0006","90","","90","","90","","217.67","0.04","296","2","296","2","","","","","","","","3","P m m a","-P 2a 2a","51","","","","- B3 Nb3 Ru3 -","- B3 Nb3 Ru3 -","- B6 Nb6 Ru6 -","2","0.25","","Xie, Weiwei; Luo, Huixia; Baroudi, Kristen; Krizan, Jason W.; Phelan, Brendan F.; Cava, Robert J.","Fragment-Based Design of NbRuB as a New Metal-Rich Boride Superconductor","Chemistry of Materials","2015","27","4","1149","","10.1021/cm504449s","","","0.71073","MoKα","","0.0135","0.0115","","","0.0199","0.0203","","","","","","1.141","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002176","31.5176","0.0003","31.5176","0.0003","31.5176","0.0003","90","","90","","90","","31308.3","0.5","130","2","130","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- C57 H57 N6 O23 Tb4 -","- C57 H57.01 N6 O23 Tb4 -","- C912 H912.16 N96 O368 Tb64 -","16","0.333333","","Li, Hai-Yang; Wei, Yong-Li; Dong, Xi-Yan; Zang, Shuang-Quan; Mak, Thomas C. W.","Novel Tb-MOF Embedded with Viologen Species for Multi-Photofunctionality: Photochromism, Photomodulated Fluorescence, and Luminescent pH Sensing","Chemistry of Materials","2015","27","4","1327","","10.1021/cm504350q","","","0.71073","MoKα","","0.0471","0.0459","","","0.1248","0.1257","","","","","","1.095","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002177","14.7432","0.0002","14.7432","0.0002","14.7432","0.0002","90","","90","","90","","3204.61","0.08","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.28 Ba0.5 S1.33 Sn0.33 -","- Ag0.28425 Ba0.5 S1.33333 Sn0.333333 -","- Ag13.644 Ba24 S64 Sn16 -","48","1","","Lai, Wei-Han; Haynes, Alyssa S.; Frazer, Laszlo; Chang, Yu-Ming; Liu, Te-Kun; Lin, Jyun-Fan; Liang, I-Chu; Sheu, Hwo-Shuenn; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16‒xSex","Chemistry of Materials","2015","27","4","1316","","10.1021/cm504348z","","","0.71073","MoKα","","0.0188","0.0185","","","0.0411","0.0413","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002178","14.7422","0.0007","14.7422","0.0007","14.7422","0.0007","90","","90","","90","","3204","0.3","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.33 Ba0.5 S1.33 Sn0.33 -","- Ag0.32875 Ba0.5 S1.33333 Sn0.333333 -","- Ag15.78 Ba24 S64 Sn16 -","48","1","","Lai, Wei-Han; Haynes, Alyssa S.; Frazer, Laszlo; Chang, Yu-Ming; Liu, Te-Kun; Lin, Jyun-Fan; Liang, I-Chu; Sheu, Hwo-Shuenn; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16‒xSex","Chemistry of Materials","2015","27","4","1316","","10.1021/cm504348z","","","0.71073","MoKα","","0.0215","0.0215","","","0.0571","0.0571","","","","","","1.11","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002179","14.7482","0.0003","14.7482","0.0003","14.7482","0.0003","90","","90","","90","","3207.87","0.11","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.33 Ba0.5 S1.33 Sn0.33 -","- Ag0.33275 Ba0.5 S1.33333 Sn0.333333 -","- Ag15.972 Ba24 S64 Sn16 -","48","1","","Lai, Wei-Han; Haynes, Alyssa S.; Frazer, Laszlo; Chang, Yu-Ming; Liu, Te-Kun; Lin, Jyun-Fan; Liang, I-Chu; Sheu, Hwo-Shuenn; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16‒xSex","Chemistry of Materials","2015","27","4","1316","","10.1021/cm504348z","","","0.71073","MoKα","","0.024","0.0239","","","0.0642","0.0643","","","","","","1.115","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002180","14.9596","0.0002","14.9596","0.0002","14.9596","0.0002","90","","90","","90","","3347.8","0.08","296","2","296","2","","","","","","","","5","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.31 Ba0.5 S0.79 Se0.54 Sn0.33 -","- Ag0.3065 Ba0.5 S0.794333 Se0.539 Sn0.333333 -","- Ag14.712 Ba24 S38.128 Se25.872 Sn16 -","48","1","","Lai, Wei-Han; Haynes, Alyssa S.; Frazer, Laszlo; Chang, Yu-Ming; Liu, Te-Kun; Lin, Jyun-Fan; Liang, I-Chu; Sheu, Hwo-Shuenn; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16‒xSex","Chemistry of Materials","2015","27","4","1316","","10.1021/cm504348z","","","0.71073","MoKα","","0.0202","0.0202","","","0.052","0.052","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002181","15.2983","0.0003","15.2983","0.0003","15.2983","0.0003","90","","90","","90","","3580.38","0.12","296","2","296","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- Ag0.31 Ba0.5 Se1.33 Sn0.33 -","- Ag0.3105 Ba0.5 Se1.33333 Sn0.333333 -","- Ag14.904 Ba24 Se64 Sn16 -","48","1","","Lai, Wei-Han; Haynes, Alyssa S.; Frazer, Laszlo; Chang, Yu-Ming; Liu, Te-Kun; Lin, Jyun-Fan; Liang, I-Chu; Sheu, Hwo-Shuenn; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","Second Harmonic Generation Response Optimized at Various Optical Wavelength Ranges through a Series of Cubic Chalcogenides Ba6Ag2.67+4δSn4.33−δS16‒xSex","Chemistry of Materials","2015","27","4","1316","","10.1021/cm504348z","","","0.71073","MoKα","","0.0276","0.0266","","","0.0664","0.0672","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002182","9.5475","0.0003","9.5475","0.0003","7.1019","0.0005","90","","90","","120","","560.64","0.05","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Nd8 O26 Si6 Sr2 -","- Nd8 O26 Si6 Sr2 -","- Nd8 O26 Si6 Sr2 -","1","0.0833333","","An, Tao; Baikie, Tom; Weyland, Matthew; Shin, J. Felix; Slater, Peter R.; Wei, Jun; White, Tim J.","Crystal Chemical Analysis of Nd9.33Si6O26and Nd8Sr2Si6O26Apatite Electrolytes Using Aberration-Corrected Scanning Transmission Electron Microscopy and Impedance Spectroscopy","Chemistry of Materials","2015","27","4","1217","","10.1021/cm504009d","","x-ray","0.71069","MoKα","","0.031","0.0304","","","0.0477","0.0479","","","","3.29","3.29","3.29","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002183","32.985","0.007","8.9901","0.0019","34.432","0.007","90","","115.591","0.002","90","","9209","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H43 La N4 O10 -","- C36 H43 La N4 O10 -","- C288 H344 La8 N32 O80 -","8","1","","Wang, Chao; Li, Liangjun; Bell, Jon G.; Lv, Xiaoxia; Tang, Sifu; Zhao, Xuebo; Thomas, K. Mark","Hysteretic Gas and Vapor Sorption in Flexible Interpenetrated Lanthanide-Based Metal‒Organic Frameworks with Coordinated Molecular Gating via Reversible Single-Crystal-to-Single-Crystal Transformation for Enhanced Selectivity","Chemistry of Materials","2015","27","5","1502","","10.1021/cm503533r","","","0.71073","MoKα","","0.072","0.0554","","","0.148","0.1546","","","","","","1.127","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002184","32.84","0.03","8.998","0.008","34.21","0.03","90","","115.564","0.011","90","","9119","14","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H43 N4 O10 Sm -","- C36 H43 N4 O10 Sm -","- C288 H344 N32 O80 Sm8 -","8","1","","Wang, Chao; Li, Liangjun; Bell, Jon G.; Lv, Xiaoxia; Tang, Sifu; Zhao, Xuebo; Thomas, K. Mark","Hysteretic Gas and Vapor Sorption in Flexible Interpenetrated Lanthanide-Based Metal‒Organic Frameworks with Coordinated Molecular Gating via Reversible Single-Crystal-to-Single-Crystal Transformation for Enhanced Selectivity","Chemistry of Materials","2015","27","5","1502","","10.1021/cm503533r","","","0.71073","MoKα","","0.1228","0.0639","","","0.1432","0.1713","","","","","","1.049","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002185","32.14","0.02","9.156","0.006","26.864","0.018","90","","112.859","0.007","90","","7285","8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H43 N4 O10 Sm -","- C36 H43 N4 O10 Sm -","- C288 H344 N32 O80 Sm8 -","8","1","","Wang, Chao; Li, Liangjun; Bell, Jon G.; Lv, Xiaoxia; Tang, Sifu; Zhao, Xuebo; Thomas, K. Mark","Hysteretic Gas and Vapor Sorption in Flexible Interpenetrated Lanthanide-Based Metal‒Organic Frameworks with Coordinated Molecular Gating via Reversible Single-Crystal-to-Single-Crystal Transformation for Enhanced Selectivity","Chemistry of Materials","2015","27","5","1502","","10.1021/cm503533r","","","0.71073","MoKα","","0.1113","0.0625","","","0.1434","0.1565","","","","","","1.051","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002186","32.599","0.005","8.8449","0.0014","34.246","0.008","90","","116.457","0.002","90","","8840","3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H43 N4 O10 Sm -","- C36 H43 N4 O10 Sm -","- C288 H344 N32 O80 Sm8 -","8","1","","Wang, Chao; Li, Liangjun; Bell, Jon G.; Lv, Xiaoxia; Tang, Sifu; Zhao, Xuebo; Thomas, K. Mark","Hysteretic Gas and Vapor Sorption in Flexible Interpenetrated Lanthanide-Based Metal‒Organic Frameworks with Coordinated Molecular Gating via Reversible Single-Crystal-to-Single-Crystal Transformation for Enhanced Selectivity","Chemistry of Materials","2015","27","5","1502","","10.1021/cm503533r","","","0.71073","MoKα","","0.0887","0.0507","","","0.0929","0.0991","","","","","","1.048","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002187","13.362","0.004","20.179","0.006","20.186","0.007","76.11","0.04","72.33","0.03","72.24","0.03","4873","3","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C48 Cr6 K2 Mo12 N6 O66 P -","- C48 Cr6 K1.998 Mo12 N6 O66 P -","- C96 Cr12 K3.996 Mo24 N12 O132 P2 -","2","1","","Kawahara, Ryosuke; Uchida, Sayaka; Mizuno, Noritaka","Redox-Induced Reversible Uptake‒Release of Cations in Porous Ionic Crystals Based on Polyoxometalate: Cooperative Migration of Electrons with Alkali Metal Ions","Chemistry of Materials","2015","27","6","2092","","10.1021/cm504526z","","","0.7107","MoKα","","","0.1164","","","","0.3477","","","","","","1.043","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002188","29.59","0.06","25.19","0.05","13.39","0.02","90","","91.23","0.04","90","","9978","3","93","","93","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 Cr6 Mo12 N6 O66 P -","- C48 Cr6 Mo12 N6 O66 P -","- C192 Cr24 Mo48 N24 O264 P4 -","4","1","","Kawahara, Ryosuke; Uchida, Sayaka; Mizuno, Noritaka","Redox-Induced Reversible Uptake‒Release of Cations in Porous Ionic Crystals Based on Polyoxometalate: Cooperative Migration of Electrons with Alkali Metal Ions","Chemistry of Materials","2015","27","6","2092","","10.1021/cm504526z","","","0.7107","MoKα","","","0.166","","","","0.4461","","","","","","1.092","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002189","13.527","0.008","20.304","0.013","20.367","0.012","75.84","0.03","72.18","0.03","72.14","0.03","4998","5","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C48 Cr6 K Mo12 N6 O66 P -","- C48 Cr6 K Mo12 N6 O66 P -","- C96 Cr12 K2 Mo24 N12 O132 P2 -","2","1","","Kawahara, Ryosuke; Uchida, Sayaka; Mizuno, Noritaka","Redox-Induced Reversible Uptake‒Release of Cations in Porous Ionic Crystals Based on Polyoxometalate: Cooperative Migration of Electrons with Alkali Metal Ions","Chemistry of Materials","2015","27","6","2092","","10.1021/cm504526z","","","0.7107","MoKα","","","0.2332","","","","0.5534","","","","","","1.784","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002190","8.954","0.002","8.954","0.002","8.954","0.002","90","","90","","90","","717.9","0.3","299","2","299","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ge13 Ir4 Y3 -","- Ge13 Ir4 Y3 -","- Ge26 Ir8 Y6 -","2","0.0416667","","Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.","Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)","Chemistry of Materials","2015","27","7","2488","","10.1021/cm504658h","","","0.71073","MoKα","","0.0343","0.0321","","","0.0861","0.0879","","","","","","1.245","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002191","8.939","0.001","8.939","0.001","8.939","0.001","90","","90","","90","","714.28","0.14","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ge12.53 Lu3 Os4 -","- Ge12.54 Lu3 Os4 -","- Ge25.08 Lu6 Os8 -","2","0.0416667","","Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.","Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)","Chemistry of Materials","2015","27","7","2488","","10.1021/cm504658h","","","0.71073","MoKα","","0.0347","0.0333","","","0.0784","0.0789","","","","","","1.257","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002192","8.8659","0.0007","8.8659","0.0005","8.8659","0.0005","90","","90","","90","","696.9","0.08","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ge13 Lu3 Rh4 -","- Ge13 Lu3 Rh4 -","- Ge26 Lu6 Rh8 -","2","0.0416667","","Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.","Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)","Chemistry of Materials","2015","27","7","2488","","10.1021/cm504658h","","","0.71073","MoKα","","0.0378","0.0289","","","0.0571","0.059","","","","","","1.13","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002193","8.923","0.002","8.923","0.002","8.923","0.002","90","","90","","90","","710.4","0.3","299","2","299","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ge12.93 Rh4 Y3 -","- Ge12.93 Rh4 Y3 -","- Ge25.86 Rh8 Y6 -","2","0.0416667","","Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.","Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)","Chemistry of Materials","2015","27","7","2488","","10.1021/cm504658h","","","0.71073","MoKα","","0.0419","0.0393","","","0.0971","0.099","","","","","","1.116","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002194","8.9933","0.0009","8.9933","0.0009","8.9933","0.0009","90","","90","","90","","727.37","0.13","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ge12.65 Os4 Y3 -","- Ge12.66 Os4 Y3 -","- Ge25.32 Os8 Y6 -","2","0.0416667","","Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.","Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)","Chemistry of Materials","2015","27","7","2488","","10.1021/cm504658h","","","0.71073","MoKα","","0.0345","0.0261","","","0.0563","0.0651","","","","","","1.163","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002195","8.6997","0.0006","8.6997","0.0006","8.6997","0.0006","90","","90","","90","","658.43","0.08","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Co4 Ge13 Lu3 -","- Co4 Ge13 Lu3 -","- Co8 Ge26 Lu6 -","2","0.0416667","","Rai, Binod K.; Oswald, Iain W. H.; Wang, Jiakui K.; McCandless, Gregory T.; Chan, Julia Y.; Morosan, E.","Superconductivity in Single Crystals of Lu3T4Ge13‒x(T= Co, Rh, Os) and Y3T4Ge13‒x(T= Ir, Rh, Os)","Chemistry of Materials","2015","27","7","2488","","10.1021/cm504658h","","","0.71073","MoKα","","0.0326","0.0305","","","0.0713","0.0718","","","","","","1.257","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4002196","10.427","0.0003","10.427","0.0003","10.427","0.0003","90","","90","","90","","1133.65","0.06","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ga8.3 K8 Si37.3 -","- Ga8.42 K8 Si37.58 -","- Ga8.42 K8 Si37.58 -","1","0.0208333","","Sui, Fan; He, Hua; Bobev, Svilen; Zhao, Jing; Osterloh, Frank E.; Kauzlarich, Susan M.","Synthesis, Structure, Thermoelectric Properties, and Band Gaps of Alkali Metal Containing Type I Clathrates: A8Ga8Si38(A = K, Rb, Cs) and K8Al8Si38","Chemistry of Materials","2015","27","8","2812","","10.1021/cm504436v","","","0.71073","MoKα","","0.0203","0.0155","","","0.0371","0.0384","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002197","10.5339","0.0003","10.5339","0.0003","10.5339","0.0003","90","","90","","90","","1168.87","0.06","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cs8 Ga7.8 Si38.2 -","- Cs8 Ga7.764 Si38.236 -","- Cs8 Ga7.764 Si38.236 -","1","0.0208333","","Sui, Fan; He, Hua; Bobev, Svilen; Zhao, Jing; Osterloh, Frank E.; Kauzlarich, Susan M.","Synthesis, Structure, Thermoelectric Properties, and Band Gaps of Alkali Metal Containing Type I Clathrates: A8Ga8Si38(A = K, Rb, Cs) and K8Al8Si38","Chemistry of Materials","2015","27","8","2812","","10.1021/cm504436v","","","0.71073","MoKα","","0.0149","0.0127","","","0.0298","0.03","","","","","","1.183","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002198","10.4433","0.0015","10.4433","0.0015","10.4433","0.0015","90","","90","","90","","1139","0.3","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Ga7.5 Rb8 Si38.5 -","- Ga7.456 Rb8 Si38.544 -","- Ga7.456 Rb8 Si38.544 -","1","0.0208333","","Sui, Fan; He, Hua; Bobev, Svilen; Zhao, Jing; Osterloh, Frank E.; Kauzlarich, Susan M.","Synthesis, Structure, Thermoelectric Properties, and Band Gaps of Alkali Metal Containing Type I Clathrates: A8Ga8Si38(A = K, Rb, Cs) and K8Al8Si38","Chemistry of Materials","2015","27","8","2812","","10.1021/cm504436v","","","0.71073","MoKα","","0.0371","0.0228","","","0.0435","0.0459","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4002200","21.1713","0.0016","11.8611","0.0007","17.0191","0.0014","90","","113.864","0.004","90","","3908.4","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","La(hfac)3(pyDTDA)2","","","- C27 H11 F18 La N6 O6 S4 -","- C27 H11 F18 La N6 O6 S4 -","- C108 H44 F72 La4 N24 O24 S16 -","4","0.5","","Fatila, Elisabeth M.; Mayo, R. Alex; Rouzières, Mathieu; Jennings, Michael C.; Dechambenoit, Pierre; Soldatov, Dmitriy V.; Mathonière, Corine; Clérac, Rodolphe; Coulon, Claude; Preuss, Kathryn E.","Radical‒Radical Recognition: Switchable Magnetic Properties and Re-entrant Behavior","Chemistry of Materials","2015","27","11","4023","","10.1021/acs.chemmater.5b00967","","","0.71073","MoKα","","0.0269","0.0238","","","0.0587","0.0608","","","","","","1.076","","","","has coordinates","140081","2020-10-21","18:00:00",""
"4002201","12.027","0.0006","12.1954","0.0006","16.7873","0.0008","91.392","0.002","108.334","0.002","118.531","0.002","2007.96","0.18","220","2","220","2","","","","","","","","7","P -1","-P 1","2","La(hfac)3(pyDTDA)2","","","- C27 H11 F18 La N6 O6 S4 -","- C27 H11 F18 La N6 O6 S4 -","- C54 H22 F36 La2 N12 O12 S8 -","2","1","","Fatila, Elisabeth M.; Mayo, R. Alex; Rouzières, Mathieu; Jennings, Michael C.; Dechambenoit, Pierre; Soldatov, Dmitriy V.; Mathonière, Corine; Clérac, Rodolphe; Coulon, Claude; Preuss, Kathryn E.","Radical‒Radical Recognition: Switchable Magnetic Properties and Re-entrant Behavior","Chemistry of Materials","2015","27","11","4023","","10.1021/acs.chemmater.5b00967","","","0.71073","MoKα","","0.0658","0.0567","","","0.1469","0.1553","","","","","","1.059","","","","has coordinates","140081","2020-10-21","18:00:00",""
"4002202","21.6251","0.0039","12.1226","0.0025","17.5034","0.0054","90","","116.012","0.006","90","","4123.7","1.7","340","2","340","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","La(hfac)3(pyDTDA)2","","","- C27 H11 F18 La N6 O6 S4 -","- C27 H11 F18 La N6 O6 S4 -","- C108 H44 F72 La4 N24 O24 S16 -","4","0.5","","Fatila, Elisabeth M.; Mayo, R. Alex; Rouzières, Mathieu; Jennings, Michael C.; Dechambenoit, Pierre; Soldatov, Dmitriy V.; Mathonière, Corine; Clérac, Rodolphe; Coulon, Claude; Preuss, Kathryn E.","Radical‒Radical Recognition: Switchable Magnetic Properties and Re-entrant Behavior","Chemistry of Materials","2015","27","11","4023","","10.1021/acs.chemmater.5b00967","","","0.71073","MoKα","","0.0499","0.0408","","","0.1096","0.1174","","","","","","1.053","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002203","8.357","0.002","5.95","0.001","19.356","0.003","90","","97.453","0.005","90","","954.3","0.3","300","","300","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H20 S2 -","- C24 H20 S2 -","- C48 H40 S4 -","2","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","0.71075","MoKα","","0.0671","0.0486","","","0.1001","0.1148","","","","","","1.073","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002204","6.0866","0.0001","7.8111","0.0001","42.5972","0.0007","90","","91.8394","0.0007","90","","2024.16","0.05","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C25 H22 S2 -","- C25 H22 S2 -","- C100 H88 S8 -","4","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","1.54187","CuKα","","0.1132","0.0691","","","0.1837","0.2272","","","","","","1.016","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002205","5.9541","0.0001","38.9909","0.0001","15.7295","0.0007","90","","90.0471","0.0007","90","","3651.69","0.17","300","","300","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 S2 -","- C23 H18 S2 -","- C184 H144 S16 -","8","2","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","1.54187","CuKα","","0.1119","0.0874","","","0.2305","0.2508","","","","","","1.036","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002206","6.0957","0.0001","7.8022","0.0001","44.243","0.003","90","","93.5107","0.0007","90","","2100.24","0.15","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H24 S2 -","- C26 H24 S2 -","- C104 H96 S8 -","4","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","1.5527","synchrotron","","0.1177","0.0756","","","0.2075","0.2299","","","","","","0.916","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002207","6.0861","0.0002","7.804","0.0003","49.128","0.001","90","","97.199","0.001","90","","2314.99","0.13","300","","300","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C28 H28 S2 -","- C28 H28 S2 -","- C112 H112 S8 -","4","1","","Inoue, Satoru; Minemawari, Hiromi; Tsutsumi, Jun’ya; Chikamatsu, Masayuki; Yamada, Toshikazu; Horiuchi, Sachio; Tanaka, Mutsuo; Kumai, Reiji; Yoneya, Makoto; Hasegawa, Tatsuo","Effects of Substituted Alkyl Chain Length on Solution-Processable Layered Organic Semiconductor Crystals","Chemistry of Materials","2015","27","11","3809","","10.1021/acs.chemmater.5b00810","","","1.5528","synchrotron","","0.0839","0.0771","","","0.2264","0.244","","","","","","1.15","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002208","23.976","0.008","23.976","","23.976","","90","","90","","90","","13783","5","110","","110","","","","","","","","","4","P -4 3 m","P -4 2 3","215","","","","- C240 Cd54 O4 S80 -","- C252 Cd54 O4 S80 -","- C252 Cd54 O4 S80 -","1","0.0416667","","Levchenko, Tetyana I.; Kübel, Christian; Wang, Di; Khalili Najafabadi, Bahareh; Huang, Yining; Corrigan, John F.","Controlled Solvothermal Routes to Hierarchical 3D Superparticles of Nanoscopic CdS","Chemistry of Materials","2015","27","10","3666","","10.1021/acs.chemmater.5b00586","","","0.71073","MoKα","","0.114","0.0752","","","0.2368","0.3065","","","","","","1.08","","","","has coordinates,has disorder","137845","2020-10-21","18:00:00",""
"4002209","32.116","0.002","4.6371","0.0003","12.3564","0.0008","90","","109.822","0.001","90","","1731.15","0.19","89","2","89","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Europium Cadmium/Zinc Antimonide","","- Cd1.65 Eu11 Sb12 Zn4.35 -","- Cd1.678 Eu11 Sb12 Zn4.322 -","- Cd3.356 Eu22 Sb24 Zn8.644 -","2","0.25","","Kazem, Nasrin; Hurtado, Antonio; Sui, Fan; Ohno, Saneyuki; Zevalkink, Alexandra; Snyder, Jeffrey G.; Kauzlarich, Susan M.","High Temperature Thermoelectric Properties of the Solid-Solution Zintl Phase Eu11Cd6‒xZnxSb12","Chemistry of Materials","2015","27","12","4413","","10.1021/acs.chemmater.5b01301","","","0.71073","MoKα","","0.0569","0.0329","","","0.0571","0.0631","","","","","","0.991","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002210","32.4248","0.0015","4.7079","0.0002","12.4035","0.0006","90","","109.917","0.001","90","","1780.18","0.14","89","2","89","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Europium Cadmium/Zinc Antimonide","","- Cd5.06 Eu11 Sb12 Zn0.94 -","- Cd5.05 Eu11 Sb12 Zn0.95 -","- Cd10.1 Eu22 Sb24 Zn1.9 -","2","0.25","","Kazem, Nasrin; Hurtado, Antonio; Sui, Fan; Ohno, Saneyuki; Zevalkink, Alexandra; Snyder, Jeffrey G.; Kauzlarich, Susan M.","High Temperature Thermoelectric Properties of the Solid-Solution Zintl Phase Eu11Cd6‒xZnxSb12","Chemistry of Materials","2015","27","12","4413","","10.1021/acs.chemmater.5b01301","","","0.71073","MoKα","","0.0186","0.0176","","","0.0361","0.0364","","","","","","1.243","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002211","32.3927","0.0014","4.7025","0.0002","12.3961","0.0006","90","","109.891","0.001","90","","1775.61","0.14","89","2","89","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Europium Cadmium/Zinc Antimonide","","- Cd4.74 Eu11 Sb12 Zn1.25 -","- Cd4.742 Eu11 Sb12 Zn1.258 -","- Cd9.484 Eu22 Sb24 Zn2.516 -","2","0.25","","Kazem, Nasrin; Hurtado, Antonio; Sui, Fan; Ohno, Saneyuki; Zevalkink, Alexandra; Snyder, Jeffrey G.; Kauzlarich, Susan M.","High Temperature Thermoelectric Properties of the Solid-Solution Zintl Phase Eu11Cd6‒xZnxSb12","Chemistry of Materials","2015","27","12","4413","","10.1021/acs.chemmater.5b01301","","","0.71073","MoKα","","0.0208","0.0189","","","0.0361","0.0367","","","","","","1.16","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002212","7.916","0.0007","6.7366","0.0003","9.078","0.0008","90","","90.737","0.007","90","","484.06","0.06","293","","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C3 H3 N3 O3 -","- C3 H3 N3 O3 -","- C12 H12 N12 O12 -","4","0.5","","Söllradl, Stefan; Greiwe, Magnus; Bukas, Vanessa J.; Buchner, Magnus R.; Widenmeyer, Marc; Kandemir, Timur; Zweifel, Tobias; Senyshyn, Anatoliy; Günther, Sebastian; Nilges, Tom; Türler, Andreas; Niewa, Rainer","Nitrogen-Doping in ZnO via Combustion Synthesis?","Chemistry of Materials","2015","27","12","4188","","10.1021/cm504200q","","x-ray","0.71073","MoKα","","0.0539","0.0313","","","0.0777","0.079","","","","2.18","2.18","1.64","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002213","10.8754","0.0005","10.8754","0.0005","5.6042","0.0003","90","","90","","90","","662.83","0.06","100","2","100","2","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Hf5 Ru0.46 Sb2.54 -","- Hf5 Ru0.46 Sb2.54 -","- Hf20 Ru1.84 Sb10.16 -","4","0.125","","Xie, Weiwei; Luo, Huixia; Seibel, Elizabeth M.; Nielsen, Morten B.; Cava, Robert J.","Superconductivity in Hf5Sb3‒xRux: Are Ru and Sb a Critical Charge-Transfer Pair for Superconductivity?","Chemistry of Materials","2015","27","13","4511","","10.1021/acs.chemmater.5b01655","","","0.71073","MoKα","","0.017","0.016","","","0.0388","0.0391","","","","","","1.153","","","","has coordinates","154593","2020-10-21","18:00:00",""
"4002214","11.5276","0.0003","12.9749","0.0004","7.0126","0.0002","90","","105.584","0.0014","90","","1010.31","0.05","300","","300","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- C26 H14 N4 -","- C26 H14 N4 -","- C52 H28 N8 -","2","0.25","","Yokokura, Seiya; Takahashi, Yukihiro; Nonaka, Hiroki; Hasegawa, Hiroyuki; Harada, Jun; Inabe, Tamotsu; Kumai, Reiji; Okamoto, Hiroshi; Matsushita, Michio M.; Awaga, Kunio","Switching of Transfer Characteristics of an Organic Field-Effect Transistor by Phase Transitions: Sensitive Response to Molecular Dynamics and Charge Fluctuation","Chemistry of Materials","2015","27","12","4441","","10.1021/acs.chemmater.5b01383","","","0.71073","MoKα","","0.0564","0.0452","","","0.1317","0.1477","","","","","","1.069","","","","has coordinates,has disorder","139984","2020-10-21","18:00:00",""
"4002215","11.573","0.0015","12.8479","0.0016","6.9092","0.0009","90","","107.053","0.002","90","","982.2","0.2","155","","155","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C26 H14 N4 -","- C26 H14 N4 -","- C52 H28 N8 -","2","0.5","","Yokokura, Seiya; Takahashi, Yukihiro; Nonaka, Hiroki; Hasegawa, Hiroyuki; Harada, Jun; Inabe, Tamotsu; Kumai, Reiji; Okamoto, Hiroshi; Matsushita, Michio M.; Awaga, Kunio","Switching of Transfer Characteristics of an Organic Field-Effect Transistor by Phase Transitions: Sensitive Response to Molecular Dynamics and Charge Fluctuation","Chemistry of Materials","2015","27","12","4441","","10.1021/acs.chemmater.5b01383","","","0.71073","MoKα","","0.0552","0.0413","","","0.1217","0.1331","","","","","","1.094","","","","has coordinates,has disorder","301811","2025-08-19","19:33:36",""
"4002216","11.37","0.003","12.818","0.003","6.918","0.0017","90.884","0.004","107.171","0.004","94.998","0.004","958.7","0.4","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C26 H14 N4 -","- C26 H14 N4 -","- C52 H28 N8 -","2","1","","Yokokura, Seiya; Takahashi, Yukihiro; Nonaka, Hiroki; Hasegawa, Hiroyuki; Harada, Jun; Inabe, Tamotsu; Kumai, Reiji; Okamoto, Hiroshi; Matsushita, Michio M.; Awaga, Kunio","Switching of Transfer Characteristics of an Organic Field-Effect Transistor by Phase Transitions: Sensitive Response to Molecular Dynamics and Charge Fluctuation","Chemistry of Materials","2015","27","12","4441","","10.1021/acs.chemmater.5b01383","","","0.71073","MoKα","","0.0551","0.0449","","","0.1124","0.1174","","","","","","1.061","","","","has coordinates","301811","2025-08-19","19:33:36",""
"4002217","3.93936","0.00001","3.93936","0.00001","3.93936","0.00001","90","","90","","90","","61.1332","0.0003","298","","298","","","","","","","","","4","P m -3 m","-P 4 2 3","221","lead cobalt rhenium oxide","","","- Cr0.5 O3 Pb Re0.5 -","- Cr0.495 O3 Pb Re0.505 -","- Cr0.495 O3 Pb Re0.505 -","1","0.0208333","","Retuerto, Maria; Li, Man-Rong; Stephens, Peter W.; Sánchez-Benítez, Javier; Deng, Xiaoyu; Kotliar, Gabriel; Croft, Mark C.; Ignatov, Alexander; Walker, David; Greenblatt, Martha","Half-Metallicity in Pb2CoReO6Double Perovskite and High Magnetic Ordering Temperature in Pb2CrReO6Perovskite","Chemistry of Materials","2015","27","12","4450","","10.1021/acs.chemmater.5b01442","powder diffraction","","0.70018","","","","","","","","","","0.014","4.23","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4002218","5.1928","0.0002","9.5598","0.0004","18.9575","0.0008","90","","90","","90","","941.09","0.07","90","2","90","2","","","","","","","","3","F d d d","-F 2uv 2vw","70","","","","- Ni2 P4 Sr -","- Ni2 P4 Sr -","- Ni16 P32 Sr8 -","8","","","Dolyniuk, Juli-Anna; Wang, Jian; Lee, Kathleen; Kovnir, Kirill","Twisted Kelvin Cells and Truncated Octahedral Cages in the Crystal Structures of Unconventional Clathrates, AM2P4(A = Sr, Ba; M = Cu, Ni)","Chemistry of Materials","2015","27","12","4476","","10.1021/acs.chemmater.5b01592","","","0.71073","MoKα","","0.0099","0.0099","","","0.0264","0.0265","","","","","","1.224","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002450","6.6353","0.0003","7.1464","0.0004","13.7788","0.0007","79.537","0.005","84.127","0.004","62.494","0.005","569.75","0.06","120","0.1","120","","","","","","","","","5","P -1","-P 1","2","","","","- C3 H12 B10 O2 S -","- C3 H12 B10 O2 S -","- C6 H24 B20 O4 S2 -","2","1","","Thomas, John C.; Boldog, Ishtvan; Auluck, Harsharn S.; Bereciartua, Pablo J.; Dušek, Michal; Macháček, Jan; Bastl, Zdeněk; Weiss, Paul S.; Baše, Tomáš","Self-Assembledp-Carborane Analogue ofp-Mercaptobenzoic Acid on Au{111}","Chemistry of Materials","2015","27","15","5425","","10.1021/acs.chemmater.5b02263","","x-ray","1.54184","CuKα","","0.0687","0.0418","","","0.0929","0.1067","","","","1.54","1.54","1.48","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4002451","9.5736","0.0002","9.49","0.0002","13.1739","0.0003","90","","90","","90","","1196.89","0.04","298","","","","","","","","","","","4","P n a 21","P 2c -2n","33","Zirconium Magnesium Molybdate","","","- Mg Mo3 O12 Zr -","- Mg Mo3 O12 Zr -","- Mg4 Mo12 O48 Zr4 -","4","1","","Romao, Carl P.; Perras, Frédéric A.; Werner-Zwanziger, Ulrike; Lussier, Joey A.; Miller, Kimberly J.; Calahoo, Courtney M.; Zwanziger, Josef W.; Bieringer, Mario; Marinkovic, Bojan A.; Bryce, David L.; White, Mary Anne","Zero Thermal Expansion in ZrMgMo3O12: NMR Crystallography Reveals Origins of Thermoelastic Properties","Chemistry of Materials","2015","27","7","2633","2646","10.1021/acs.chemmater.5b00429","","x-ray","1.5406","CuKα~1~,Kα~2~","K-L~2,3~","","","","","","","","","","","","","","","","has coordinates","152692","2020-10-21","18:00:00",""
"4003148","44.271","0.002","44.271","0.002","44.271","0.002","90","","90","","90","","86768","7","228","2","228","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","MTAF-2","","","- C30 H12 Cu6 N9 O23.5 -","- C30 H12 Cu6 N9 O23.5 -","- C960 H384 Cu192 N288 O752 -","32","0.166667","","Gao, Wen-Yang; Cai, Rong; Pham, Tony; Forrest, Katherine A.; Hogan, Adam; Nugent, Patrick; Williams, Kia; Wojtas, Lukasz; Luebke, Ryan; Weseliński, Łukasz J.; Zaworotko, Michael J.; Space, Brian; Chen, Yu-Sheng; Eddaoudi, Mohamed; Shi, Xiaodong; Ma, Shengqian","Remote Stabilization of Copper Paddlewheel Based Molecular Building Blocks in Metal‒Organic Frameworks","Chemistry of Materials","2015","27","6","2144","","10.1021/acs.chemmater.5b00084","","","0.41328","synchrotron","","0.1083","0.0911","","","0.2572","0.2757","","","","","","1.079","","","","has coordinates,has disorder","231389","2020-10-21","18:00:00",""
"4003149","44.588","0.003","44.588","0.003","44.588","0.003","90","","90","","90","","88645","10","100","2","100","2","","","","","","","","5","F m -3 m","-F 4 2 3","225","MPAF-1","","","- C33 H15 Cu6 N6 O19 -","- C33 H15 Cu6 N6 O19 -","- C1056 H480 Cu192 N192 O608 -","32","0.166667","","Gao, Wen-Yang; Cai, Rong; Pham, Tony; Forrest, Katherine A.; Hogan, Adam; Nugent, Patrick; Williams, Kia; Wojtas, Lukasz; Luebke, Ryan; Weseliński, Łukasz J.; Zaworotko, Michael J.; Space, Brian; Chen, Yu-Sheng; Eddaoudi, Mohamed; Shi, Xiaodong; Ma, Shengqian","Remote Stabilization of Copper Paddlewheel Based Molecular Building Blocks in Metal‒Organic Frameworks","Chemistry of Materials","2015","27","6","2144","","10.1021/acs.chemmater.5b00084","","","0.41328","synchrotron","","0.0751","0.0674","","","0.2084","0.2133","","","","","","1.08","","","","has coordinates,has disorder","231390","2020-10-21","18:00:00",""
"4003150","12.9801","0.0015","15.4628","0.0018","17.708","0.002","93.992","0.002","90.777","0.002","94.773","0.002","3532.6","0.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C71 H56.2 Cu3 F9 N8 O15.1 S3 -","- C71 H56.2 Cu3 F9 N8 O15.1 S3 -","- C142 H112.4 Cu6 F18 N16 O30.2 S6 -","2","1","","Ma, Jian-Ping; Wang, Shen-Qing; Zhao, Chao-Wei; Yu, Yang; Dong, Yu-Bin","Cu(II)-Metal‒Organic Framework with Open Coordination Metal Sites for Low Temperature Thermochemical Water Oxidation","Chemistry of Materials","2015","27","11","3805","","10.1021/acs.chemmater.5b00754","","","0.71073","MoKα","","0.0855","0.0559","","","0.1429","0.1618","","","","","","1.032","","","","has coordinates,has disorder","231391","2020-10-21","18:00:00",""
"4003151","13.0883","0.0004","13.0883","0.0004","26.7939","0.001","90","","90","","90","","4589.9","0.3","100","0.2","100","0.2","","","","","","","","7","P 42 2 2","P 4c 2","93","","","","- C35 H26 Cu F3 N4 O6 S -","- C35 H26 Cu F3 N4 O6 S -","- C140 H104 Cu4 F12 N16 O24 S4 -","4","0.5","","Ma, Jian-Ping; Wang, Shen-Qing; Zhao, Chao-Wei; Yu, Yang; Dong, Yu-Bin","Cu(II)-Metal‒Organic Framework with Open Coordination Metal Sites for Low Temperature Thermochemical Water Oxidation","Chemistry of Materials","2015","27","11","3805","","10.1021/acs.chemmater.5b00754","","","0.7107","MoKα","","0.1029","0.0777","","","0.2273","0.2473","","","","","","1.076","","","","has coordinates","231392","2020-10-21","18:00:00",""
"4003152","5.839","0.002","6.39","0.003","15.961","0.007","90","","98.826","0.006","90","","588.5","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 Cl Li N O -","- C3 H7 Cl Li N O -","- C12 H28 Cl4 Li4 N4 O4 -","4","1","","Chinnam, Parameswara R.; Clymer, Rebecca N.; Jalil, Abdel Aziz; Wunder, Stephanie L.; Zdilla, Michael J.","Bulk-Phase Ion Conduction in Cocrystalline LiCl·N,N-Dimethylformamide: A New Paradigm for Solid Electrolytes Based upon the Pearson Hard‒Soft Acid‒Base Concept","Chemistry of Materials","2015","27","16","5479","","10.1021/acs.chemmater.5b00940","","","0.71073","MoKα","","0.1076","0.0539","","","0.1082","0.1243","","","","","","1.009","","","","has coordinates","231393","2020-10-21","18:00:00",""
"4003153","19.594","0.01","8.739","0.004","18.853","0.01","90","","99.234","0.009","90","","3186","3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H17 N4 O2 P -","- C16 H17 N4 O2 P -","- C128 H136 N32 O16 P8 -","8","1","","Srivastava, Anant Kumar; Divya, Pillutla; Praveenkumar, B.; Boomishankar, Ramamoorthy","Potentially Ferroelectric {CuIIL2}n Based Two-Dimensional Framework Exhibiting High Polarization and Guest-Assisted Dielectric Anomaly","Chemistry of Materials","2015","27","15","5222","","10.1021/acs.chemmater.5b01267","","","0.71073","MoKα","","0.0395","0.032","","","0.0809","0.0854","","","","","","1.052","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003154","23.781","0.005","23.781","0.005","11.844","0.003","90","","90","","90","","6698","3","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C32 H30 Cu N10 O8 P2 -","- C32 H30 Cu N10 O8 P2 -","- C256 H240 Cu8 N80 O64 P16 -","8","0.5","","Srivastava, Anant Kumar; Divya, Pillutla; Praveenkumar, B.; Boomishankar, Ramamoorthy","Potentially Ferroelectric {CuIIL2}n Based Two-Dimensional Framework Exhibiting High Polarization and Guest-Assisted Dielectric Anomaly","Chemistry of Materials","2015","27","15","5222","","10.1021/acs.chemmater.5b01267","","","0.71073","MoKα","","0.0912","0.0436","","","0.085","0.1003","","","","","","1.005","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003155","25.688","0.005","12.212","0.003","17.076","0.007","90","","127.862","0.003","90","","4229","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C33 H41 Cu N10 O12.5 P2 -","- C33 H33 Cu N10 O12.5 P2 -","- C132 H132 Cu4 N40 O50 P8 -","4","1","","Srivastava, Anant Kumar; Divya, Pillutla; Praveenkumar, B.; Boomishankar, Ramamoorthy","Potentially Ferroelectric {CuIIL2}n Based Two-Dimensional Framework Exhibiting High Polarization and Guest-Assisted Dielectric Anomaly","Chemistry of Materials","2015","27","15","5222","","10.1021/acs.chemmater.5b01267","","","0.71073","MoKα","","0.2004","0.1103","","","0.2813","0.3448","","","","","","1.044","","","","has coordinates,has disorder","231396","2020-10-21","18:00:00",""
"4003156","8.433","0.003","9.174","0.004","10.074","0.004","80.921","0.007","80.814","0.007","89.836","0.008","759.5","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N4 O P -","- C16 H15 N4 O P -","- C32 H30 N8 O2 P2 -","2","1","","Srivastava, Anant Kumar; Divya, Pillutla; Praveenkumar, B.; Boomishankar, Ramamoorthy","Potentially Ferroelectric {CuIIL2}n Based Two-Dimensional Framework Exhibiting High Polarization and Guest-Assisted Dielectric Anomaly","Chemistry of Materials","2015","27","15","5222","","10.1021/acs.chemmater.5b01267","","","0.71073","MoKα","","0.0426","0.0383","","","0.1037","0.1072","","","","","","1.058","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003157","25.688","0.005","12.212","0.003","17.076","0.007","90","","127.862","0.003","90","","4229","2","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C32 H34 Cu N10 O10 P2 -","- C32 H30 Cu N10 O10 P2 -","- C128 H120 Cu4 N40 O40 P8 -","4","1","","Srivastava, Anant Kumar; Divya, Pillutla; Praveenkumar, B.; Boomishankar, Ramamoorthy","Potentially Ferroelectric {CuIIL2}n Based Two-Dimensional Framework Exhibiting High Polarization and Guest-Assisted Dielectric Anomaly","Chemistry of Materials","2015","27","15","5222","","10.1021/acs.chemmater.5b01267","","","0.71073","MoKα","","0.1609","0.0992","","","0.2592","0.298","","","","","","0.894","","","","has coordinates,has disorder","231398","2020-10-21","18:00:00",""
"4003158","6.128","0.0015","7.5805","0.0019","28.009","0.007","90","","94.509","0.007","90","","1297.1","0.6","100","2","100","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C38 H20 S4 -","- C38 H20 S4 -","- C76 H40 S8 -","2","0.5","","Abe, Masahiro; Mori, Takamichi; Osaka, Itaru; Sugimoto, Kunihisa; Takimiya, Kazuo","Thermally, Operationally, and Environmentally Stable Organic Thin-Film Transistors Based on Bis[1]benzothieno[2,3-d:2′,3′-d′]naphtho[2,3-b:6,7-b′]dithiophene Derivatives: Effective Synthesis, Electronic Structures, and Structure–Property Relationship","Chemistry of Materials","2015","27","14","5049","","10.1021/acs.chemmater.5b01608","","","0.6997","synchrotron","","0.1377","0.0803","","","0.1875","0.2287","","","","","","1.182","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003159","28.32","0.005","28.32","0.005","12.835","0.003","90","","90","","120","","8915","3","298","","298","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C26 H15 La N O18.39 -","- C26.0001 H14.0001 La N0.9999 O18.3928 -","- C234.001 H126.001 La9 N8.9991 O165.535 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","powder diffraction","","0.827107","Synchrotron","","","","","","","","","0.0097","1.065","","","","","","","has coordinates","231400","2020-10-21","18:00:00",""
"4003160","24.1843","0.0005","24.1843","0.0005","13.0217","0.0005","90","","90","","120","","6595.8","0.3","298","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0608","0.0432","","","0.0797","0.0842","","","","","","1.004","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003161","24.2009","0.0007","24.2009","0.0007","12.9648","0.0006","90","","90","","120","","6576","0.4","100","2","100","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H14 La N O9 -","- C21 H14 La N O9 -","- C189 H126 La9 N9 O81 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0578","0.0472","","","0.0979","0.1022","","","","","","1.047","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003162","24.197","0.0006","24.197","0.0006","13.1426","0.0004","90","","90","","120","","6664","0.3","323","2","323","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0582","0.0445","","","0.0928","0.0985","","","","","","1.022","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003163","24.2447","0.0008","24.2447","0.0008","13.1705","0.0008","90","","90","","120","","6704.5","0.5","373","2","373","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.073","0.0479","","","0.1069","0.1166","","","","","","0.976","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003164","24.2372","0.0012","24.2372","0.0012","13.2135","0.0011","90","","90","","120","","6722.2","0.7","423","2","423","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.1015","0.0591","","","0.0851","0.094","","","","","","0.979","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003165","24.313","0.002","24.313","0.002","13.184","0.002","90","","90","","120","","6749.2","1.3","473","2","473","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.1352","0.0695","","","0.1387","0.1554","","","","","","1.026","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003166","24.25","0.009","24.25","0.009","13.093","0.012","90","","90","","120","","6668","7","500","2","500","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O6 -","- C21 H12 La N O6 -","- C189 H108 La9 N9 O54 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.2265","0.0833","","","0.1168","0.1382","","","","","","0.916","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003167","24.1719","0.0012","24.1719","0.0012","13.011","0.0012","90","","90","","120","","6583.6","0.8","298","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 La N O7 -","- C21 H12 La N O7 -","- C189 H108 La9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0911","0.0648","","","0.1059","0.1148","","","","","","0.99","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003168","24.188","0.0009","24.188","0.0009","13.1489","0.0011","90","","90","","120","","6662.2","0.7","298","2","298","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C21 H12 Ce N O7 -","- C21 H12 Ce N O7 -","- C189 H108 Ce9 N9 O63 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","","","0.71073","MoKα","","0.0668","0.0513","","","0.1102","0.1179","","","","","","1.036","","","","has coordinates","231401","2020-10-21","18:00:00",""
"4003169","35.242","0.0019","35.242","0.0019","13.493","0.005","90","","90","","120","","14513","5","298","","298","","","","","","","","","4","R 3 2 :H","R 3 2""","155","","","","- C33 H15 Eu O20.9 -","- C33 H15 Eu O20.9098 -","- C297 H135 Eu9 O188.188 -","9","0.5","","Yao, Qingxia; Bermejo Gómez, Antonio; Su, Jie; Pascanu, Vlad; Yun, Yifeng; Zheng, Haoquan; Chen, Hong; Liu, Leifeng; Abdelhamid, Hani Nasser; Martín-Matute, Belén; Zou, Xiaodong","Series of Highly Stable Isoreticular Lanthanide Metal‒Organic Frameworks with Expanding Pore Size and Tunable Luminescent Properties","Chemistry of Materials","2015","27","15","5332","","10.1021/acs.chemmater.5b01711","powder diffraction","","1.5418","CuKα","","","","","","","","","0.0092","1.581","","","","","","","has coordinates","231402","2020-10-21","18:00:00",""
"4003170","24.104","0.0015","12.539","0.0008","17.9067","0.0011","90","","113.374","0.003","90","","4968","0.5","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H48 Cu2 I2 N8 O5 -","- C50 H48 Cu2 I2 N8 O5 -","- C200 H192 Cu8 I8 N32 O20 -","4","0.5","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0941","0.0595","","","0.1435","0.1695","","","","","","1.072","","","","has coordinates","231403","2020-10-21","18:00:00",""
"4003171","24.448","0.003","12.4621","0.0012","17.8907","0.0019","90","","113.418","0.005","90","","5001.8","1","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C53 H48 Cu2 I2 N10 O4 -","- C53 H48 Cu2 I2 N10 O4 -","- C212 H192 Cu8 I8 N40 O16 -","4","0.5","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0576","0.0515","","","0.1683","0.1768","","","","","","1.089","","","","has coordinates","231404","2020-10-21","18:00:00",""
"4003172","24.457","0.002","12.2391","0.0011","18.0357","0.0014","90","","113.779","0.005","90","","4940.4","0.7","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Cu I N3 O3 -","- C24 H21 Cu I N3 O3 -","- C192 H168 Cu8 I8 N24 O24 -","8","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0708","0.0465","","","0.1226","0.141","","","","","","1.051","","","","has coordinates","231405","2020-10-21","18:00:00",""
"4003173","12.681","0.003","13.34","0.003","17.761","0.004","69.389","0.009","89.016","0.01","63.4","0.009","2478.9","1","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H39 Cu2 F I2 N6 O3 -","- C50 H39 Cu2 F I2 N6 O3 -","- C100 H78 Cu4 F2 I4 N12 O6 -","2","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0825","0.0579","","","0.1641","0.184","","","","","","1.062","","","","has coordinates","231406","2020-10-21","18:00:00",""
"4003174","23.8814","0.001","12.9205","0.0005","17.5755","0.0007","90","","112.522","0.002","90","","5009.5","0.4","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 Br Cu2 I2 N6 O2 -","- C50 H38 Br Cu2 I2 N6 O2 -","- C200 H152 Br4 Cu8 I8 N24 O8 -","4","0.5","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0895","0.0748","","","0.2224","0.2346","","","","","","1.136","","","","has coordinates","231407","2020-10-21","18:00:00",""
"4003175","24.5691","0.0008","12.317","0.0004","18.0299","0.0006","90","","114.046","0.002","90","","4982.7","0.3","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C59 H34 Cu2 I2 N10 O2 -","- C59 H34 Cu2 I2 N10 O2 -","- C236 H136 Cu8 I8 N40 O8 -","4","0.5","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.066","0.0523","","","0.1382","0.1578","","","","","","1.011","","","","has coordinates","231408","2020-10-21","18:00:00",""
"4003176","23.6086","0.0015","12.9371","0.0008","17.5536","0.0011","90","","112.57","0.003","90","","4950.7","0.5","140","2","140","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H19 Cu I N4 O3 -","- C25 H19 Cu I N4 O3 -","- C200 H152 Cu8 I8 N32 O24 -","8","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.1432","0.0553","","","0.1076","0.1353","","","","","","0.95","","","","has coordinates","231409","2020-10-21","18:00:00",""
"4003177","23.9138","0.0009","12.8156","0.0005","17.636","0.0006","90","","112.655","0.002","90","","4987.9","0.3","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C50 H38 Cl Cu2 I2 N6 O2 -","- C50 H38 Cl Cu2 I2 N6 O2 -","- C200 H152 Cl4 Cu8 I8 N24 O8 -","4","0.5","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0965","0.0676","","","0.203","0.2208","","","","","","1.155","","","","has coordinates","231410","2020-10-21","18:00:00",""
"4003178","24.97","0.05","12.02","0.02","18.21","0.03","90","","113.5","0.03","90","","5012","15","130","2","130","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H23 Cu I N3 O2 S -","- C24 H23 Cu I N3 O2 S -","- C192 H184 Cu8 I8 N24 O16 S8 -","8","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.1996","0.0835","","","0.1672","0.2116","","","","","","0.975","","","","has coordinates","231411","2020-10-21","18:00:00",""
"4003179","24.26","0.003","12.6267","0.0012","17.8971","0.0017","90","","113.86","0.005","90","","5013.8","0.9","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H22 Cu I N4 O3 -","- C28 H22 Cu I N4 O3 -","- C224 H176 Cu8 I8 N32 O24 -","8","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0613","0.0488","","","0.1353","0.1434","","","","","","1.043","","","","has coordinates,has disorder","231412","2020-10-21","18:00:00",""
"4003180","24.404","0.003","12.3305","0.0014","17.9345","0.0019","90","","113.07","0.006","90","","4965.1","1","130","2","130","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cu I N6 O -","- C24 H20 Cu I N6 O -","- C192 H160 Cu8 I8 N48 O8 -","8","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.1065","0.0705","","","0.1893","0.2108","","","","","","1.215","","","","has coordinates","231413","2020-10-21","18:00:00",""
"4003181","12.5823","0.0008","13.544","0.0008","17.5152","0.0011","68.665","0.002","89.462","0.002","64.914","0.002","2480.6","0.3","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H44 Cu2 I2 N8 O2 -","- C54 H44 Cu2 I2 N8 O2 -","- C108 H88 Cu4 I4 N16 O4 -","2","1","","Khatua, Sajal; Goswami, Soumyabrata; Biswas, Soumava; Tomar, Kapil; Jena, Himanshu Sekhar; Konar, Sanjit","Stable Multiresponsive Luminescent MOF for Colorimetric Detection of Small Molecules in Selective and Reversible Manner","Chemistry of Materials","2015","27","15","5349","","10.1021/acs.chemmater.5b01773","","","0.71073","MoKα","","0.0384","0.0342","","","0.103","0.1063","","","","","","1.073","","","","has coordinates","231414","2020-10-21","18:00:00",""
"4003182","9.0462","0.0001","22.0677","0.0002","14.1102","0.0001","90","","91.134","0.001","90","","2816.25","0.04","173","0.14","173","0.14","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C40 H28 -","- C40 H28 -","- C160 H112 -","4","1","","He, Zikai; Zhang, Liuqing; Mei, Ju; Zhang, Tian; Lam, Jacky W. Y.; Shuai, Zhigang; Dong, Yong Qiang; Tang, Ben Zhong","Polymorphism-Dependent and Switchable Emission of Butterfly-Like Bis(diarylmethylene)dihydroanthracenes","Chemistry of Materials","2015","27","19","6601","","10.1021/acs.chemmater.5b02280","","x-ray","1.5418","CuKα","","0.0407","0.0383","","","0.0911","0.0927","","","","","","1.005","","","","has coordinates","231415","2020-10-21","18:00:00",""
"4003183","10.4299","0.0016","11.9506","0.0018","13.855","0.002","99.954","0.003","101.968","0.003","107.734","0.003","1556.6","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H36 -","- C44 H36 -","- C88 H72 -","2","1","","He, Zikai; Zhang, Liuqing; Mei, Ju; Zhang, Tian; Lam, Jacky W. Y.; Shuai, Zhigang; Dong, Yong Qiang; Tang, Ben Zhong","Polymorphism-Dependent and Switchable Emission of Butterfly-Like Bis(diarylmethylene)dihydroanthracenes","Chemistry of Materials","2015","27","19","6601","","10.1021/acs.chemmater.5b02280","","","0.71073","MoKα","","0.0571","0.0464","","","0.1226","0.1316","","","","","","1.047","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003184","19.089","0.002","10.2565","0.0013","21.225","0.003","90","","91.282","0.002","90","","4154.5","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C91 H75 Cl9 O8 -","- C91 H75 Cl9 O8 -","- C182 H150 Cl18 O16 -","2","0.5","","He, Zikai; Zhang, Liuqing; Mei, Ju; Zhang, Tian; Lam, Jacky W. Y.; Shuai, Zhigang; Dong, Yong Qiang; Tang, Ben Zhong","Polymorphism-Dependent and Switchable Emission of Butterfly-Like Bis(diarylmethylene)dihydroanthracenes","Chemistry of Materials","2015","27","19","6601","","10.1021/acs.chemmater.5b02280","","","0.71073","MoKα","","0.1023","0.0874","","","0.2494","0.2639","","","","","","1.09","","","","has coordinates,has disorder","231417","2020-10-21","18:00:00",""
"4003185","10.4082","0.0013","10.5164","0.0014","29.494","0.004","90","","93.522","0.002","90","","3222.2","0.7","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 -","- C44 H36 -","- C176 H144 -","4","1","","He, Zikai; Zhang, Liuqing; Mei, Ju; Zhang, Tian; Lam, Jacky W. Y.; Shuai, Zhigang; Dong, Yong Qiang; Tang, Ben Zhong","Polymorphism-Dependent and Switchable Emission of Butterfly-Like Bis(diarylmethylene)dihydroanthracenes","Chemistry of Materials","2015","27","19","6601","","10.1021/acs.chemmater.5b02280","","","0.71073","MoKα","","0.0733","0.0487","","","0.1129","0.1267","","","","","","1.013","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003186","19.988","0.001","19.988","0.001","13.3947","0.0009","90","","90","","90","","5351.5","0.5","293","2","293","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C0.71 O2 Si -","- C0.541667 O2.33333 Si -","- C52 O224 Si96 -","96","12","","Santoro, Mario; Dziubek, Kamil; Scelta, Demetrio; Ceppatelli, Matteo; Gorelli, Federico A.; Bini, Roberto; Thibaud, Jean-Marc; Di Renzo, Francesco; Cambon, Olivier; Rouquette, Jerome; Hermet, Patrick; van der Lee, Arie; Haines, Julien","High Pressure Synthesis of All-Transoid Polycarbonyl [—(C═O)—]n in a Zeolite","Chemistry of Materials","2015","27","19","6486","","10.1021/acs.chemmater.5b02596","","x-ray","1.54184","CuKα","","0.104","0.0918","","","0.2453","0.259","","","","","","1.037","","","","has coordinates","231419","2020-10-21","18:00:00",""
"4003187","4.7594","0.0016","13.444","0.003","16.816","0.006","107.754","0.014","95.034","0.016","90.919","0.019","1019.7","0.6","90","","90","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H44 F6 N2 O4 S2 -","- C48 H44 F6 N2 O4 S2 -","- C48 H44 F6 N2 O4 S2 -","1","0.5","","Nakano, Masahiro; Osaka, Itaru; Hashizume, Daisuke; Takimiya, Kazuo","α-Modified Naphthodithiophene Diimides—Molecular Design Strategy for Air-Stable n-Channel Organic Semiconductors","Chemistry of Materials","2015","27","18","6418","","10.1021/acs.chemmater.5b02601","","","0.71073","MoKα","","0.1792","0.0956","","","0.2605","0.3132","","","","","","1.046","","","","has coordinates,has disorder","301811","2025-08-19","19:33:37",""
"4003188","5.3741","0.0011","8.3251","0.0016","18.155","0.003","93.296","0.01","93.705","0.01","98.532","0.01","799.7","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","DC-NDTI8","DCNDTI","","- C34 H36 Cl2 N2 O4 S2 -","- C34 H36 Cl2 N2 O4 S2 -","- C34 H36 Cl2 N2 O4 S2 -","1","0.5","","Nakano, Masahiro; Osaka, Itaru; Hashizume, Daisuke; Takimiya, Kazuo","α-Modified Naphthodithiophene Diimides—Molecular Design Strategy for Air-Stable n-Channel Organic Semiconductors","Chemistry of Materials","2015","27","18","6418","","10.1021/acs.chemmater.5b02601","","","1.54187","CuKα","","0.1078","0.066","","","0.1725","0.2258","","","","","","1.158","","","","has coordinates,has disorder","301811","2025-08-19","19:33:37",""
"4003189","19.855","0.007","12.366","0.004","10.331","0.003","90","","119.994","0.008","90","","2196.8","1.2","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H36 Au N3 Si2 -","- C15 H36 Au N3 Si2 -","- C60 H144 Au4 N12 Si8 -","4","0.5","","Griffiths, Matthew B. E.; Koponen, Sara E.; Mandia, David J.; McLeod, Jennifer F.; Coyle, Jason P.; Sims, Jeffrey J.; Giorgi, Javier B.; Sirianni, Eric R.; Yap, Glenn P. A.; Barry, Seán T.","Surfactant Directed Growth of Gold Metal Nanoplates by Chemical Vapor Deposition","Chemistry of Materials","2015","27","17","6116","","10.1021/acs.chemmater.5b02712","","","0.71073","MoKα","","0.0148","0.0142","","","0.0363","0.0366","","","","","","1.082","","","","has coordinates","231422","2020-10-21","18:00:00",""
"4003190","9.5789","0.0014","6.9929","0.001","17.858","0.003","90","","91.031","0.002","90","","1196","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 Au Cl N2 -","- C9 H18 Au Cl N2 -","- C36 H72 Au4 Cl4 N8 -","4","1","","Griffiths, Matthew B. E.; Koponen, Sara E.; Mandia, David J.; McLeod, Jennifer F.; Coyle, Jason P.; Sims, Jeffrey J.; Giorgi, Javier B.; Sirianni, Eric R.; Yap, Glenn P. A.; Barry, Seán T.","Surfactant Directed Growth of Gold Metal Nanoplates by Chemical Vapor Deposition","Chemistry of Materials","2015","27","17","6116","","10.1021/acs.chemmater.5b02712","","","0.71073","MoKα","","0.04","0.0258","","","0.0535","0.0588","","","","","","1.031","","","","has coordinates","231423","2020-10-21","18:00:00",""
"4003204","8.8022","0.0002","4.603","0.0001","22.6036","0.0004","90","","90.6026","0.0008","90","","915.77","0.03","101","2","101","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NSz2T","NSz2T","","- C20 H12 N4 S2 Se2 -","- C20 H12 N4 S2 Se2 -","- C40 H24 N8 S4 Se4 -","2","0.5","","Kawashima, Kazuaki; Osaka, Itaru; Takimiya, Kazuo","Effect of Chalcogen Atom on the Properties of Naphthobischalcogenadiazole-Based π-Conjugated Polymers","Chemistry of Materials","2015","27","19","6558","","10.1021/acs.chemmater.5b03124","","","1.54187","CuKα","","0.0386","0.0364","","","0.094","0.1057","","","","","","0.896","","","","has coordinates","301811","2025-08-19","19:33:37",""
"4003205","11.7955","0.0015","8.5619","0.0009","18.814","0.002","90","","106.722","0.0013","90","","1819.7","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","NTz2T","NTz2T","","- C20 H12 N4 S4 -","- C20 H12 N4 S4 -","- C80 H48 N16 S16 -","4","0.5","","Kawashima, Kazuaki; Osaka, Itaru; Takimiya, Kazuo","Effect of Chalcogen Atom on the Properties of Naphthobischalcogenadiazole-Based π-Conjugated Polymers","Chemistry of Materials","2015","27","19","6558","","10.1021/acs.chemmater.5b03124","","","0.7107","MoKα","","0.0499","0.0398","","","0.1043","0.1123","","","","","","0.745","","","","has coordinates","231426","2020-10-21","18:00:00",""
"4003206","4.7463","0.0001","10.0444","0.0002","17.8813","0.0003","90","","96.1637","0.0013","90","","847.54","0.03","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","NOz2T","NOz2T","","- C20 H12 N4 O2 S2 -","- C20 H12 N4 O2 S2 -","- C40 H24 N8 O4 S4 -","2","0.5","","Kawashima, Kazuaki; Osaka, Itaru; Takimiya, Kazuo","Effect of Chalcogen Atom on the Properties of Naphthobischalcogenadiazole-Based π-Conjugated Polymers","Chemistry of Materials","2015","27","19","6558","","10.1021/acs.chemmater.5b03124","","","1.54187","CuKα","","0.0543","0.0451","","","0.1123","0.1195","","","","","","1.05","","","","has coordinates","231427","2020-10-21","18:00:00",""
"4003207","6.1351","0.0001","8.9483","0.0002","12.4437","0.0003","93.009","0.001","99.232","0.001","94.8946","0.0016","670.31","0.02","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H34 N6 S2 Sn2 -","- C22 H34 N6 S2 Sn2 -","- C22 H34 N6 S2 Sn2 -","1","0.5","","Ahmet, Ibbi Y.; Hill, Michael S.; Johnson, Andrew L.; Peter, Laurence M.","Polymorph-Selective Deposition of High Purity SnS Thin Films from a Single Source Precursor","Chemistry of Materials","2015","27","22","7680","","10.1021/acs.chemmater.5b03220","","","0.71073","MoKα","","0.0467","0.0437","","","0.1103","0.1118","","","","","","1.174","","","","has coordinates","231428","2020-10-21","18:00:00",""
"4003208","3.629473","","9.812765","","18.426905","","90","","90","","118.042","","579.231","","","","","","","","","","","","","3","P 1 1 21/b","-P 2bc","14","","","","- C5 N5 O -","- C20 N20 O4 -","- C20 N20 O4 -","1","0.25","","Hirsch, Anna; Gur, Dvir; Polishchuk, Iryna; Levy, Davide; Pokroy, Boaz; Cruz-Cabeza, Aurora J.; Addadi, Lia; Kronik, Leeor; Leiserowitz, Leslie","“Guanigma”: The Revised Structure of Biogenic Anhydrous Guanine","Chemistry of Materials","2015","27","24","8289","","10.1021/acs.chemmater.5b03549","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","231429","2020-10-21","18:00:00",""
"4003209","11.824","0.005","11.824","0.005","11.824","0.005","90","","90","","90","","1653.1","1.2","100","","100","","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C0.17 H0.5 F0.1 N0.04 O2 Si -","- C0.1666 H0.4998 F0.10325 N0.0416667 O2 Si -","- C3.9984 H11.9952 F2.478 N O48 Si24 -","24","0.5","","Boal, Ben W.; Schmidt, Joel E.; Deimund, Mark A.; Deem, Michael W.; Henling, Lawrence M.; Brand, Stephen K.; Zones, Stacey I.; Davis, Mark E.","Facile Synthesis and Catalysis of Pure-Silica and Heteroatom LTA","Chemistry of Materials","2015","27","22","7774","","10.1021/acs.chemmater.5b03579","","","0.71073","MoKα","","0.0427","0.0296","","","0.075","0.0798","","","","","","1.123","","","","has coordinates,has disorder","231430","2020-10-21","18:00:00",""
"4003210","11.857","0.004","11.857","0.004","11.857","0.004","90","","90","","90","","1667","1","100","","100","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- O2 Si -","- O2 Si -","- O48 Si24 -","24","0.5","","Boal, Ben W.; Schmidt, Joel E.; Deimund, Mark A.; Deem, Michael W.; Henling, Lawrence M.; Brand, Stephen K.; Zones, Stacey I.; Davis, Mark E.","Facile Synthesis and Catalysis of Pure-Silica and Heteroatom LTA","Chemistry of Materials","2015","27","22","7774","","10.1021/acs.chemmater.5b03579","","","0.71073","MoKα","","0.085","0.0449","","","0.0833","0.0933","","","","","","1.152","","","","has coordinates","231431","2020-10-21","18:00:00",""
"4003211","11.813","0.003","11.813","0.003","11.813","0.003","90","","90","","90","","1648.5","0.7","100","","100","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- F0.08 O2 Si -","- F0.08425 O2 Si -","- F2.022 O48 Si24 -","24","0.5","","Boal, Ben W.; Schmidt, Joel E.; Deimund, Mark A.; Deem, Michael W.; Henling, Lawrence M.; Brand, Stephen K.; Zones, Stacey I.; Davis, Mark E.","Facile Synthesis and Catalysis of Pure-Silica and Heteroatom LTA","Chemistry of Materials","2015","27","22","7774","","10.1021/acs.chemmater.5b03579","","","0.71073","MoKα","","0.0623","0.0497","","","0.1145","0.1188","","","","","","1.099","","","","has coordinates","231432","2020-10-21","18:00:00",""
"4003212","5.0182","0.0006","5.0182","0.0006","8.355","0.002","90","","90","","120","","182.21","0.05","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C F K O3 Zn -","- C F K O3 Zn -","- C2 F2 K2 O6 Zn2 -","2","0.166667","","Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao","Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series","Chemistry of Materials","2015","27","21","7520","","10.1021/acs.chemmater.5b03890","","","0.71073","MoKα","","0.0107","0.0106","","","0.0233","0.0234","","","","","","1.018","","","","has coordinates","231433","2020-10-21","18:00:00",""
"4003213","5.1349","0.0013","5.1349","0.0013","8.846","0.004","90","","90","","120","","202","0.12","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C Cd F K O3 -","- C Cd F K O3 -","- C2 Cd2 F2 K2 O6 -","2","0.166667","","Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao","Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series","Chemistry of Materials","2015","27","21","7520","","10.1021/acs.chemmater.5b03890","","","0.71073","MoKα","","0.0105","0.0104","","","0.0247","0.0247","","","","","","1.227","","","","has coordinates","231434","2020-10-21","18:00:00",""
"4003214","5.2109","0.0007","5.2109","0.0007","9.0645","0.0019","90","","90","","120","","213.16","0.06","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C Cd F O3 Rb -","- C Cd F O3 Rb -","- C2 Cd2 F2 O6 Rb2 -","2","0.166667","","Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao","Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series","Chemistry of Materials","2015","27","21","7520","","10.1021/acs.chemmater.5b03890","","","0.71073","MoKα","","0.0128","0.0116","","","0.0244","0.025","","","","","","1.183","","","","has coordinates","231435","2020-10-21","18:00:00",""
"4003215","5.1035","0.0009","5.1035","0.0009","8.619","0.004","90","","90","","120","","194.41","0.1","293","2","293","2","","","","","","","","5","P -6 c 2","P -6c 2","188","","","","- C F O3 Rb Zn -","- C F O2.997 Rb Zn -","- C2 F2 O5.994 Rb2 Zn2 -","2","0.166667","","Yang, Guangsai; Peng, Guang; Ye, Ning; wang, Jiyang; Luo, Min; Yan, Tao; Zhou, Yuqiao","Structural Modulation of Anionic Group Architectures by Cations to Optimize SHG Effects: A Facile Route to New NLO Materials in the ATCO3F (A = K, Rb; T = Zn, Cd) Series","Chemistry of Materials","2015","27","21","7520","","10.1021/acs.chemmater.5b03890","","","0.71073","MoKα","","0.0228","0.0172","","","0.032","0.0332","","","","","","1.01","","","","has coordinates,has disorder","231436","2020-10-21","18:00:00",""
"4003419","5.09","0.0002","9.28","0.0003","9.3946","0.0003","84.733","0.001","84.283","0.001","89.235","0.001","439.68","0.03","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C4 H12 Au2 Cl4 Cu N4 O6 -","- C4 H12 Au2 Cl4 Cu N4 O6 -","- C4 H12 Au2 Cl4 Cu N4 O6 -","1","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0226","0.0211","","","0.0518","0.0524","","","","","","1.177","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003420","8.4718","0.0001","8.612","0.0001","10.6612","0.0001","86.056","0.001","81.895","0.001","86.063","0.001","766.869","0.015","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H28 Au2 Cl4 Cu N8 O4 -","- C16 H28 Au2 Cl4 Cu N8 O4 -","- C16 H28 Au2 Cl4 Cu N8 O4 -","1","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0368","0.0263","","","0.0642","0.0674","","","","","","1.059","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003421","8.3765","0.0002","8.4243","0.0002","10.8307","0.0003","90.153","0.002","92.457","0.002","92.463","0.001","762.86","0.03","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H28 Au2 Br4 Cu N8 O4 -","- C16 H28 Au2 Br4 Cu N8 O4 -","- C16 H28 Au2 Br4 Cu N8 O4 -","1","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0354","0.0266","","","0.0633","0.0656","","","","","","1.065","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003422","8.2802","0.0007","8.508","0.0007","11.2279","0.0009","80.18","0.0019","79.306","0.002","86.825","0.0019","765.63","0.11","296","2","296","2","","","","","","","","8","P -1","-P 1","2","","","","- C12 H24 Au2 Br4 Cu N4 O4 S4 -","- C12 H24 Au2 Br4 Cu N4 O4 S4 -","- C12 H24 Au2 Br4 Cu N4 O4 S4 -","1","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0631","0.0422","","","0.1043","0.1138","","","","","","1.037","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003423","11.6264","0.00015","8.091","0.0001","14.8596","0.00019","90","","104.857","0.0006","90","","1351.1","0.03","299","2","299","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H24 Au2 Br4 Cu N4 O8 -","- C12 H24 Au2 Br4 Cu N4 O8 -","- C24 H48 Au4 Br8 Cu2 N8 O16 -","2","0.5","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0722","0.0345","","","0.0559","0.0636","","","","","","1.007","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003424","19.8327","0.0004","13.9821","0.0003","19.8634","0.0005","90","","118.153","0.001","90","","4856.51","0.19","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 Au2 Cl4 Cu N4 O6 -","- C12 H20 Au2 Cl4 Cu N4 O6 -","- C96 H160 Au16 Cl32 Cu8 N32 O48 -","8","2","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0369","0.0304","","","0.0588","0.0608","","","","","","1.067","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4003425","18.5292","0.0003","18.5292","0.0003","19.6529","0.0004","90","","90","","120","","5843.47","0.18","150","2","150","2","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C62 H62 Au6 Cu3 N22 O6 -","- C62 H62 Au6 Cu3 N22 O6 -","- C186 H186 Au18 Cu9 N66 O18 -","3","0.25","","Ovens, Jeffrey S.; Leznoff, Daniel B.","Raman Detected Sensing of Volatile Organic Compounds by Vapochromic Cu[AuX2(CN)2]2 (X = Cl, Br) Coordination Polymer Materials","Chemistry of Materials","2015","27","5","1465","","10.1021/cm502998w","","","0.71073","MoKα","","0.0434","0.03","","","0.064","0.0713","","","","","","1.202","","","","has coordinates","239741","2020-10-21","18:00:00",""
"4030258","21.805","0.011","5.426","0.002","23.613","0.008","90","","90","","90","","2794","2","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Bi8 Mn4 O25.5 Sr8 -","- Bi8 Mn4 O25.52 Sr8 -","- Bi32 Mn16 O102.08 Sr32 -","4","0.5","","Tarascon, J. M.; Le Page, Y.; McKinnon, W. R.","Synthesis and structural aspects of doped and undoped high Tc bismuth cuprates","European Journal of Solid State and Inorganic Chemistry","1990","27","","81","104","","","x-ray","1.542","CuKα","","","0.139","","","","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030259","5.874","0.001","16.003","0.003","8.408","0.002","90","","103.99","0.02","90","","766.9","0.3","","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 Cl O7 Pr -","- C2 Cl O7 Pr -","- C8 Cl4 O28 Pr4 -","4","1","","Hiltunen, L.; Holsa, J.","Structural study of praseodynium oxalate halide trihydrates","European Journal of Solid State and Inorganic Chemistry","1990","27","","401","410","","","x-ray","0.71069","MoKα","","","0.0286","","","0.0301","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030260","5.941","0.001","16.26","0.007","8.494","0.004","90","","104.28","0.03","90","","795.2","0.5","","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C2 H6 Br O7 Pr -","- C2 Br O7 Pr -","- C8 Br4 O28 Pr4 -","4","1","","Hiltunen, L.; Holsa, J.","Structural study of praseodynium oxalate halide trihydrates","European Journal of Solid State and Inorganic Chemistry","1990","27","","401","410","","","x-ray","0.71069","MoKα","","","0.0381","","","0.0383","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030261","5.403","0.001","27.698","0.008","5.54","0.001","90","","90","","90","","829.1","0.3","","","293","","","","","","","","","3","A b m 2","A 2 -2b","39","","","","- F7 O4 Y5 -","- F6.996 O4.004 Y5 -","- F27.984 O16.016 Y20 -","4","","","Bevan, D. J. M.; Mohyla, J.; Hoskins, B. F.; Steen, R. J.","The crystal structures of some Vernier phases in the yttrium oxide-fluoride system","European Journal of Solid State and Inorganic Chemistry","1990","27","","451","465","","","x-ray","1.542","CuKα","","","0.061","","","0.047","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030262","5.415","0.006","33.133","0.008","5.53","0.004","90","","90","","90","","992.2","1.3","","","293","","","","","","","","","3","P c m b","-P 2bc 2c","57","","","","- F8 O5 Y6 -","- F7.995 O5.005 Y6 -","- F31.98 O20.02 Y24 -","4","0.5","","Bevan, D. J. M.; Mohyla, J.; Hoskins, B. F.; Steen, R. J.","The crystal structures of some Vernier phases in the yttrium oxide-fluoride system","European Journal of Solid State and Inorganic Chemistry","1990","27","","451","465","","","x-ray","1.542","CuKα","","","0.06","","","0.057","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030263","5.423","0.001","38.624","0.006","5.527","0.001","90","","90","","90","","1157.7","0.3","","","293","","","","","","","","","3","A b m 2","A 2 -2b","39","","","","- F9 O6 Y7 -","- F9 O6 Y7 -","- F36 O24 Y28 -","4","","","Bevan, D. J. M.; Mohyla, J.; Hoskins, B. F.; Steen, R. J.","The crystal structures of some Vernier phases in the yttrium oxide-fluoride system","European Journal of Solid State and Inorganic Chemistry","1990","27","","451","465","","","x-ray","1.542","CuKα","","","0.054","","","0.048","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030264","5.413","0.001","93.917","0.006","5.529","0.001","90","","90","","90","","2810.8","0.7","","","293","","","","","","","","","3","A b m 2","A 2 -2b","39","","","","- F23 O14 Y17 -","- F23.014 O13.986 Y17 -","- F92.056 O55.944 Y68 -","4","","","Bevan, D. J. M.; Mohyla, J.; Hoskins, B. F.; Steen, R. J.","The crystal structures of some Vernier phases in the yttrium oxide-fluoride system","European Journal of Solid State and Inorganic Chemistry","1990","27","","451","465","","","x-ray","1.542","CuKα","","","0.101","","","0.116","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030265","12.46","0.01","7.363","0.008","12.93","0.01","90","","109.36","0.07","90","","1119.2","1.8","","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cu F7 Fe Na2 -","- Cu F7 Fe Na2 -","- Cu8 F56 Fe8 Na16 -","8","1","","Yacubovich, O. V.; Urusov, V. S.; Frenzen, G.; Massa, W.; Babel, D.","The crystal structure of Na2CuFeF7, a new variant in the weberite family","European Journal of Solid State and Inorganic Chemistry","1990","27","","467","475","","","x-ray","0.71069","MoKα","","","0.0294","","","0.0276","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030266","3.3263","0.0009","5.776","0.002","35.876","0.013","90","","90","","90","","689.3","0.4","","","293","","","","","","","","","3","C m c 21","C 2c -2","36","","","","- Nb2 Pb1.14 S5.14 -","- Nb2 Pb1.08 S5.08 -","- Nb8 Pb4.32 S20.32 -","4","0.5","","Meerschaut, A.; Guemas, L.; Auriel, C.; Rouxel, J.","Preparation, structure determination and transport properties of a new misfit layer compound : (PbS1.14)(NbS2)2","European Journal of Solid State and Inorganic Chemistry","1990","27","","557","570","","","x-ray","0.71069","MoKα","","","0.054","","","0.066","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030267","6.922","0.002","11.286","0.003","8.713","0.002","90","","98.21","0.04","90","","673.7","0.3","","","293","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C12 H21 Cl Pt -","- C12 Cl Pt -","- C24 Cl2 Pt2 -","2","0.5","","Rockensuss, W.; Roeski, H. W.; Gilje, J. W.; Noltemeyer, M.","Synthesis and structure of new n5-pentamethylcyclopentadienyldimethylplatinum (IV) complexes","European Journal of Solid State and Inorganic Chemistry","1990","27","","599","615","","","x-ray","0.71069","MoKα","","","0.041","","","0.05","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030268","12.74","0.005","12.74","0.005","3.932","0.001","90","","90","","120","","552.7","0.3","","","293","","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- As12 Ce5 Ni15 Zr3 -","- As12 Ce5 Ni14.92 Zr3 -","- As12 Ce5 Ni14.92 Zr3 -","1","0.0833333","","Pivan, J. Y.; Guerin, R.; Pena, O.; Padiou, J.; El Ghadraoui, E. H.; Rafiq, M.","New quaternary lanthanoid transition metal arsenides with Ho5Ni19P12-type derivative structure","European Journal of Solid State and Inorganic Chemistry","1990","27","","617","631","","","x-ray","0.71069","MoKα","","","0.042","","","0.044","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030269","12.651","0.001","12.651","0.001","3.82","0.001","90","","90","","120","","529.47","0.15","","","293","","","","","","","","","4","P -6 2 m","P -6 -2","189","","","","- As12 Er5 Ni16 Zr3 -","- As12 Er5 Ni16 Zr3 -","- As12 Er5 Ni16 Zr3 -","1","0.0833333","","Pivan, J. Y.; Guerin, R.; Pena, O.; Padiou, J.; El Ghadraoui, E. H.; Rafiq, M.","New quaternary lanthanoid transition metal arsenides with Ho5Ni19P12-type derivative structure","European Journal of Solid State and Inorganic Chemistry","1990","27","","617","631","","","x-ray","0.71069","MoKα","","","0.049","","","0.057","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030270","8.075","0.002","8.075","0.002","8.075","0.002","90","","90","","90","","526.5","0.2","","","293","","","","","","","","","4","I m -3","-I 2 2 3","204","","","","- Ba F12 Fe4 Na2 -","- Ba F12 Fe4 Na1.998 -","- Ba2 F24 Fe8 Na3.996 -","2","0.0416667","","Darriet, J.; Mayorga, S. G.; Tressaud, A.","Crystal structure of Na2BaFe4F12 : a new ordered perovskite-like fluoride","European Journal of Solid State and Inorganic Chemistry","1990","27","","783","790","","","x-ray","0.71069","MoKα","","","0.0257","","","0.025","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030271","4.029","0.001","6.906","0.003","12.902","0.005","85.08","0.03","81.99","0.03","73.05","0.03","339.7","0.2","","","293","","","","","","","","","3","P -1","-P 1","2","","","","- Bi4.8 Cu1.6 S8 -","- Bi4.4 Cu1.4 S8 -","- Bi4.4 Cu1.4 S8 -","1","0.5","","Liautard, B; Garcia, J. C.; Brun, G.; Tedenac, J. C.; Maurin, M.","Crystal structure of Cu(1+3x)Bi(5-x)X8 (X = S, Se) alloys","European Journal of Solid State and Inorganic Chemistry","1990","27","","818","830","","","x-ray","0.71069","MoKα","","","0.053","","","0.078","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030272","4.148","0.001","7.182","0.002","13.388","0.004","85.45","0.02","81.25","0.02","73.26","0.02","377.23","0.18","","","293","","","","","","","","","3","P -1","-P 1","2","","","","- Bi4.8 Cu1.6 Se8 -","- Bi4.4 Cu1.4 Se8 -","- Bi4.4 Cu1.4 Se8 -","1","0.5","","Liautard, B; Garcia, J. C.; Brun, G.; Tedenac, J. C.; Maurin, M.","Crystal structure of Cu(1+3x)Bi(5-x)X8 (X = S, Se) alloys","European Journal of Solid State and Inorganic Chemistry","1990","27","","818","830","","","x-ray","0.71069","MoKα","","","0.053","","","0.076","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4030273","13.371","0.002","8.8","0.001","13.372","0.003","90","","90","","90","","1573.4","0.5","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ge8 K2 O17 -","- Ge8 K2 O17 -","- Ge32 K8 O68 -","4","0.5","","Harbrecht, B.; Kushauer, J.; Weber, H.-J.","","European Journal of Solid State and Inorganic Chemistry","1990","27","","831","843","","","x-ray","0.56","AgKα","","","0.031","","","0.038","","","","","","","","","","","has coordinates","178481","2020-10-21","18:00:00",""
"4031558","8.36","","16.08","","16.2","","90","","105.5","","90","","2098.54","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(Co (C O)4)3 Cl Sn","","- C12 Cl Co3 O12 Sn -","- C12 Cl Co3 O12 Sn -","- C48 Cl4 Co12 O48 Sn4 -","4","1","","Bir'yukov, B.P.; Kukhtenkova, E.A.; Struchkov, Yu.T.; Kolobova, N.E.; Anisimov, K.N.; Khandozhko, V.I.","Crystal Structure of Chlorotris(tetracarbonylcobalt) Tin, Cl Sn (Co(Co)4)3","Journal of Organometallic Chemistry","1971","27","","337","339","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031651","7.154","","7.154","","7.154","","90","","90","","90","","366.14","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 Tb -","- Ni2 Tb -","- Ni16 Tb8 -","8","0.0416667","","Burnasheva, V.V.; Ivanov, A.V.","X-ray diffraction investigation of certain hydride phases Ln T2 Hx (T= Fe, Co, Ni)","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1982","27","","601","601","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4031652","7.154","","7.154","","7.154","","90","","90","","90","","366.14","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Ni2 Y -","- Ni2 Y -","- Ni16 Y8 -","8","0.0416667","","Burnasheva, V.V.; Ivanov, A.V.","X-ray diffraction investigation of certain hydride phases Ln T2 Hx (T= Fe, Co, Ni)","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1982","27","","601","601","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4070503","11.6161","0.0008","17.703","0.0012","9.5129","0.0006","90","","90","","90","","1956.2","0.2","110","2","110","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C11 H30 B8 N2 Pt -","- C11 H30 B8 N2 Pt -","- C44 H120 B32 N8 Pt4 -","4","0.5","","Carr, Michael J.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10-Vertexarachno-Platinacarboranes","Organometallics","2008","27","9","2099","","10.1021/om7012056","","","0.71073","MoKα","","0.0222","0.0204","","","0.0489","0.0498","","","","","","1.039","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070504","11.4393","0.0003","11.523","0.0003","12.9427","0.0003","80.784","0.001","81.299","0.002","61.667","0.001","1476.71","0.07","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H41 B8 N3 Pt -","- C22 H41 B8 N3 Pt -","- C44 H82 B16 N6 Pt2 -","2","1","","Carr, Michael J.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10-Vertexarachno-Platinacarboranes","Organometallics","2008","27","9","2099","","10.1021/om7012056","","","0.71073","MoKα","","0.0375","0.0304","","","0.0586","0.0612","","","","","","1.056","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070505","23.555","0.0007","10.9581","0.0003","27.9532","0.0007","90","","120.204","0.002","90","","6235.7","0.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 B8 N P Pt -","- C24 H36 B8 N P Pt -","- C192 H288 B64 N8 P8 Pt8 -","8","2","","Carr, Michael J.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10-Vertexarachno-Platinacarboranes","Organometallics","2008","27","9","2099","","10.1021/om7012056","","","0.71073","MoKα","","0.0794","0.0594","","","0.1403","0.1526","","","","","","1.044","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070506","12.0336","0.0005","11.1519","0.0005","19.2314","0.0008","90","","114.892","0.002","90","","2341.06","0.18","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H34 B8 P2 Pt -","- C17 H34 B8 P2 Pt -","- C68 H136 B32 P8 Pt4 -","4","1","","Carr, Michael J.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10-Vertexarachno-Platinacarboranes","Organometallics","2008","27","9","2099","","10.1021/om7012056","","","0.71073","MoKα","","0.034","0.0302","","","0.0758","0.0771","","","","","","1.003","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070507","11.4458","0.0003","20.8605","0.0005","16.5321","0.0004","90","","123.187","0.001","90","","3303.44","0.15","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 B8 P2 Pt -","- C27 H36 B8 P2 Pt -","- C108 H144 B32 P8 Pt4 -","4","1","","Carr, Michael J.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10-Vertexarachno-Platinacarboranes","Organometallics","2008","27","9","2099","","10.1021/om7012056","","","0.71073","MoKα","","0.0379","0.0285","","","0.0569","0.0598","","","","","","1.058","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070508","31.728","0.008","11.472","0.003","17.01","0.005","90","","109.609","0.013","90","","5832","3","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H52 B8 N4 Pt -","- C19 H52 B8 N4 Pt -","- C152 H416 B64 N32 Pt8 -","8","1","","Carr, Michael J.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10-Vertexarachno-Platinacarboranes","Organometallics","2008","27","9","2099","","10.1021/om7012056","","","0.71073","MoKα","","0.0393","0.0299","","","0.064","0.0667","","","","","","1.119","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070509","20.4041","0.0007","9.719","0.0003","13.7472","0.0004","90","","116.543","0.003","90","","2438.83","0.15","110","2","110","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H41 B8 N3 Pt -","- C15 H41 B8 N3 Pt -","- C60 H164 B32 N12 Pt4 -","4","1","","Carr, Michael J.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10-Vertexarachno-Platinacarboranes","Organometallics","2008","27","9","2099","","10.1021/om7012056","","","0.71073","MoKα","","0.0253","0.0217","","","0.0481","0.0494","","","","","","1.053","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070510","14.3012","0.0011","10.3809","0.0007","22.6397","0.0014","90","","125.297","0.004","90","","2743.2","0.4","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H34 B8 I2 N2 Pt -","- C17 H34 B8 I2 N2 Pt -","- C68 H136 B32 I8 N8 Pt4 -","4","1","","Carr, Michael J.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10-Vertexarachno-Platinacarboranes","Organometallics","2008","27","9","2099","","10.1021/om7012056","","","0.71073","MoKα","","0.0511","0.0295","","","0.0469","0.0529","","","","","","1.022","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070511","9.6927","0.0005","19.8328","0.0011","17.7492","0.001","90","","101.936","0.003","90","","3338.2","0.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H34 B8 I2 P2 Pt -","- C27 H34 B8 I2 P2 Pt -","- C108 H136 B32 I8 P8 Pt4 -","4","1","","Carr, Michael J.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10-Vertexarachno-Platinacarboranes","Organometallics","2008","27","9","2099","","10.1021/om7012056","","","0.71073","MoKα","","0.0755","0.0602","","","0.1134","0.1188","","","","","","1.15","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070512","10.086","0.002","11.493","0.002","17.784","0.004","77.85","0.03","74.33","0.03","71.97","0.03","1869.2","0.8","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H42 B8 I2 O P2 Pt -","- C31 H42 B8 I2 O P2 Pt -","- C62 H84 B16 I4 O2 P4 Pt2 -","2","1","","Carr, Michael J.; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10-Vertexarachno-Platinacarboranes","Organometallics","2008","27","9","2099","","10.1021/om7012056","","","0.71073","MoKα","","0.0335","0.0281","","","0.066","0.0688","","","","","","1.04","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070513","13.243","0.005","13.758","0.005","16.578","0.005","97.57","0.005","91.79","0.005","117.29","0.005","2646.4","1.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H42 O6 P2 Ru3 S4 -","- C55 H42 O6 P2 Ru3 S4 -","- C110 H84 O12 P4 Ru6 S8 -","2","1","","Begum, Noorjahan; Hyder, Md. Iqbal; Hassan, Mohammad R.; Kabir, Shariff E.; Bennett, Dennis W.; Haworth, Daniel T.; Siddiquee, Tasneem A.; Rokhsana, Dalia; Sharmin, Ayesha; Rosenberg, Edward","Facile E−E and E−C Bond Activation of PhEEPh (E = Te, Se, S) by Ruthenium Carbonyl Clusters: Formation of Di- and Triruthenium Complexes Bearing Bridging dppm and Phenylchalcogenide and Capping Chalcogenido Ligands","Organometallics","2008","27","7","1550","","10.1021/om701042s","","","0.71069","MoKα","","0.0567","0.0393","","","0.1011","0.1102","","","","","","1.08","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070514","11.015","0.005","18.542","0.005","19.843","0.005","90","0.005","92.34","0.005","90","0.005","4049","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H32 O4 P2 Ru2 Te2 -","- C41 H32 O4 P2 Ru2 Te2 -","- C164 H128 O16 P8 Ru8 Te8 -","4","1","","Begum, Noorjahan; Hyder, Md. Iqbal; Hassan, Mohammad R.; Kabir, Shariff E.; Bennett, Dennis W.; Haworth, Daniel T.; Siddiquee, Tasneem A.; Rokhsana, Dalia; Sharmin, Ayesha; Rosenberg, Edward","Facile E−E and E−C Bond Activation of PhEEPh (E = Te, Se, S) by Ruthenium Carbonyl Clusters: Formation of Di- and Triruthenium Complexes Bearing Bridging dppm and Phenylchalcogenide and Capping Chalcogenido Ligands","Organometallics","2008","27","7","1550","","10.1021/om701042s","","","0.71069","MoKα","","0.0492","0.0379","","","0.0941","0.102","","","","","","0.934","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070515","19.621","0.005","22.168","0.005","23.948","0.005","90","0.005","90","0.005","90","0.005","10416","4","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C43 H32 O6 P2 Ru3 Te4 -","- C43 H32 O6 P2 Ru3 Te4 -","- C344 H256 O48 P16 Ru24 Te32 -","8","1","","Begum, Noorjahan; Hyder, Md. Iqbal; Hassan, Mohammad R.; Kabir, Shariff E.; Bennett, Dennis W.; Haworth, Daniel T.; Siddiquee, Tasneem A.; Rokhsana, Dalia; Sharmin, Ayesha; Rosenberg, Edward","Facile E−E and E−C Bond Activation of PhEEPh (E = Te, Se, S) by Ruthenium Carbonyl Clusters: Formation of Di- and Triruthenium Complexes Bearing Bridging dppm and Phenylchalcogenide and Capping Chalcogenido Ligands","Organometallics","2008","27","7","1550","","10.1021/om701042s","","","0.71069","MoKα","","0.082","0.0528","","","0.1325","0.1512","","","","","","1.032","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070516","14.324","0.004","20.6","0.005","20.514","0.003","90","","103.01","0.02","90","","5898","2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H42 O7 P2 Ru3 Te4 -","- C56 H42 O7 P2 Ru3 Te4 -","- C224 H168 O28 P8 Ru12 Te16 -","4","1","","Begum, Noorjahan; Hyder, Md. Iqbal; Hassan, Mohammad R.; Kabir, Shariff E.; Bennett, Dennis W.; Haworth, Daniel T.; Siddiquee, Tasneem A.; Rokhsana, Dalia; Sharmin, Ayesha; Rosenberg, Edward","Facile E−E and E−C Bond Activation of PhEEPh (E = Te, Se, S) by Ruthenium Carbonyl Clusters: Formation of Di- and Triruthenium Complexes Bearing Bridging dppm and Phenylchalcogenide and Capping Chalcogenido Ligands","Organometallics","2008","27","7","1550","","10.1021/om701042s","","","0.71073","MoKα","","0.061","0.0477","","","0.1467","0.1559","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070517","13.103","0.002","13.604","0.002","17.044","0.003","95.79","0.01","93.41","0.01","115.75","0.01","2704.3","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H42 O6 P2 Ru3 S0 Se4 -","- C55 H42 O6 P2 Ru3 Se4 -","- C110 H84 O12 P4 Ru6 Se8 -","2","1","","Begum, Noorjahan; Hyder, Md. Iqbal; Hassan, Mohammad R.; Kabir, Shariff E.; Bennett, Dennis W.; Haworth, Daniel T.; Siddiquee, Tasneem A.; Rokhsana, Dalia; Sharmin, Ayesha; Rosenberg, Edward","Facile E−E and E−C Bond Activation of PhEEPh (E = Te, Se, S) by Ruthenium Carbonyl Clusters: Formation of Di- and Triruthenium Complexes Bearing Bridging dppm and Phenylchalcogenide and Capping Chalcogenido Ligands","Organometallics","2008","27","7","1550","","10.1021/om701042s","","","0.71073","MoKα","","0.0809","0.0466","","","0.1037","0.1195","","","","","","1.047","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070518","10.5384","0.0014","13.0298","0.0017","20.266","0.003","90","","93.439","0.002","90","","2777.8","0.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 B F4 Mo O7 P2 -","- C22 H35 B F4 Mo O7 P2 -","- C88 H140 B4 F16 Mo4 O28 P8 -","4","1","","Grime, Richard W.; Helliwell, Madeleine; Hussain, Zaffar I.; Lancashire, Hannah N.; Mason, Christopher R.; McDouall, Joseph J. W.; Mydlowski, Christopher M.; Whiteley, Mark W.","Metallacumulenylidene Complexes in the Cycloheptatrienyl Molybdenum Series [Mo{(C)nCR2}L2(η-C7H7)]+(n= 0−2; L2= P-Donor Ligand). X-ray Crystal Structures of [Mo{CC(H)Ph}{P(OMe)3}2(η-C7H7)][BF4] and [Mo(CCCPh2)(dppe)(η-C7H7)][PF6] and DFT Investigation of Cumulenylidene Ligand Orientations","Organometallics","2008","27","5","857","","10.1021/om700920t","","","0.71073","MoKα","","0.0492","0.0343","","","0.073","0.078","","","","","","1.029","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070519","11.526","0.0008","17.7669","0.0013","20.4687","0.0015","90","","99.621","0.001","90","","4132.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48.25 H41.5 Cl0.5 F6 Mo P3 -","- C48.25 H41 Cl0.5 F6 Mo P3 -","- C193 H164 Cl2 F24 Mo4 P12 -","4","1","","Grime, Richard W.; Helliwell, Madeleine; Hussain, Zaffar I.; Lancashire, Hannah N.; Mason, Christopher R.; McDouall, Joseph J. W.; Mydlowski, Christopher M.; Whiteley, Mark W.","Metallacumulenylidene Complexes in the Cycloheptatrienyl Molybdenum Series [Mo{(C)nCR2}L2(η-C7H7)]+(n= 0−2; L2= P-Donor Ligand). X-ray Crystal Structures of [Mo{CC(H)Ph}{P(OMe)3}2(η-C7H7)][BF4] and [Mo(CCCPh2)(dppe)(η-C7H7)][PF6] and DFT Investigation of Cumulenylidene Ligand Orientations","Organometallics","2008","27","5","857","","10.1021/om700920t","","","0.71073","MoKα","","0.0602","0.0483","","","0.1247","0.1326","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070520","10.3794","0.0011","17.0781","0.0018","15.4868","0.0017","90","","92.412","0.002","90","","2742.8","0.5","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H45 Fe2 S3 -","- C26 H45 Fe2 S3 -","- C104 H180 Fe8 S12 -","4","1","","Chen, Yanhui; Zhou, Yuhan; Qu, Jingping","Synthesis and Reactions of Novel Triply Thiolate-Bridged Diiron Complexes [Cp*Fe(μ2-SR)3FeCp*] (Cp*= η5-C5Me5; R = Et, Ph)","Organometallics","2008","27","4","666","","10.1021/om0611148","","","0.71073","MoKα","","0.0775","0.0497","","","0.0981","0.1095","","","","","","0.987","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070521","8.9152","0.0003","16.2139","0.0004","17.5863","0.0006","90","","103.271","0.002","90","","2474.22","0.13","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H34 Cl2 Fe2 N S2 -","- C19 H34 Cl2 Fe2 N S2 -","- C76 H136 Cl8 Fe8 N4 S8 -","4","1","","Chen, Yanhui; Zhou, Yuhan; Qu, Jingping","Synthesis and Reactions of Novel Triply Thiolate-Bridged Diiron Complexes [Cp*Fe(μ2-SR)3FeCp*] (Cp*= η5-C5Me5; R = Et, Ph)","Organometallics","2008","27","4","666","","10.1021/om0611148","","","0.71073","MoKα","","0.0842","0.0468","","","0.0953","0.1103","","","","","","1.003","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070522","23.8072","0.0004","23.8072","0.0004","23.8072","0.0004","90","","90","","90","","13493.5","0.4","293","2","293","2","","","","","","","","4","I -4 3 d","I -4bd 2c 3","220","","","","- C38 H15 Fe2 S3 -","- C38.1 H15 Fe2 S3 -","- C609.6 H240 Fe32 S48 -","16","0.333333","","Chen, Yanhui; Zhou, Yuhan; Qu, Jingping","Synthesis and Reactions of Novel Triply Thiolate-Bridged Diiron Complexes [Cp*Fe(μ2-SR)3FeCp*] (Cp*= η5-C5Me5; R = Et, Ph)","Organometallics","2008","27","4","666","","10.1021/om0611148","","","0.71073","MoKα","","0.0541","0.0455","","","0.1195","0.1268","","","","","","1.014","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070523","38.895","0.003","9.2962","0.0006","17.9312","0.0011","90","","115.091","0.003","90","","5871.7","0.7","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H45 Fe2 O S3 -","- C27 H45 Fe2 O S3 -","- C216 H360 Fe16 O8 S24 -","8","1","","Chen, Yanhui; Zhou, Yuhan; Qu, Jingping","Synthesis and Reactions of Novel Triply Thiolate-Bridged Diiron Complexes [Cp*Fe(μ2-SR)3FeCp*] (Cp*= η5-C5Me5; R = Et, Ph)","Organometallics","2008","27","4","666","","10.1021/om0611148","","","0.71073","MoKα","","0.1255","0.0599","","","0.1383","0.1736","","","","","","0.966","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070524","9.1039","0.0009","33.854","0.003","11.6173","0.0011","90","","105.452","0.005","90","","3451.1","0.6","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H54 Fe2 N S3 -","- C31 H54 Fe2 N S3 -","- C124 H216 Fe8 N4 S12 -","4","1","","Chen, Yanhui; Zhou, Yuhan; Qu, Jingping","Synthesis and Reactions of Novel Triply Thiolate-Bridged Diiron Complexes [Cp*Fe(μ2-SR)3FeCp*] (Cp*= η5-C5Me5; R = Et, Ph)","Organometallics","2008","27","4","666","","10.1021/om0611148","","","0.71073","MoKα","","0.0527","0.0414","","","0.1029","0.1098","","","","","","1.056","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070525","12.584","0.006","14.088","0.007","15.533","0.007","114.865","0.016","93.39","0.02","114.21","0.02","2187.7","1.9","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H54 Co2 F12 O7 P2 -","- C39 H54 Co2 F12 O7 P2 -","- C78 H108 Co4 F24 O14 P4 -","2","1","","Perekalin, Dmitry S.; Babak, Maria V.; Novikov, Valentin V.; Petrovskii, Pavel V.; Lyssenko, Konstantin A.; Corsini, Maddalena; Zanello, Piero; Kudinov, Alexander R.","A New Approach to the Photochemically Controlled Crown Ethers: (Tetramethylcyclobutadiene)cobalt Complexes with Benzo-15-Crown-5 and Dibenzo-18-Crown-6†","Organometallics","2008","27","15","3654","","10.1021/om7002688","","","0.71073","MoKα","","0.1256","0.0466","","","0.0669","0.0795","","","","","","0.728","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070526","9.746","0.0018","12.138","0.002","14.577","0.003","114.113","0.004","106.166","0.005","91.635","0.005","1491.7","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H36 Co F6 O6 P -","- C28 H36 Co F6 O6 P -","- C56 H72 Co2 F12 O12 P2 -","2","1","","Perekalin, Dmitry S.; Babak, Maria V.; Novikov, Valentin V.; Petrovskii, Pavel V.; Lyssenko, Konstantin A.; Corsini, Maddalena; Zanello, Piero; Kudinov, Alexander R.","A New Approach to the Photochemically Controlled Crown Ethers: (Tetramethylcyclobutadiene)cobalt Complexes with Benzo-15-Crown-5 and Dibenzo-18-Crown-6†","Organometallics","2008","27","15","3654","","10.1021/om7002688","","","0.71073","MoKα","","0.1985","0.0663","","","0.096","0.1142","","","","","","0.822","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070527","25.7528","0.0004","6.9451","0.0001","24.4159","0.0007","90","","90","","90","","4366.92","0.16","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H24 Cl3 N3 Pt -","- C21 H24 Cl3 N3 Pt -","- C168 H192 Cl24 N24 Pt8 -","8","2","","Batema, Guido D.; Lutz, Martin; Spek, Anthony L.; van Walree, Cornelis A.; Donegá, Celso de Mello; Meijerink, Andries; Havenith, Remco W. A.; Pérez-Moreno, Javier; Clays, Koen; Büchel, Michael; Dijken, Addy van; Bryce, David L.; van Klink, Gerard P. M.; Koten, Gerard van","Substituted 4,4′-Stilbenoid NCN-Pincer Platinum(II) Complexes. Luminescence and Tuning of the Electronic and NLO Properties and the Application in an OLED","Organometallics","2008","27","8","1690","","10.1021/om700352z","","","0.71073","MoKα","","0.0404","0.0309","","","0.0625","0.0654","","","","","","1.109","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070528","11.1598","0.0002","14.9046","0.0002","29.3635","0.0004","90","","90","","90","","4884.1","0.13","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C62 H48 I P3 Ru -","- C62 H48 I P3 Ru -","- C248 H192 I4 P12 Ru4 -","4","1","","Zhao, Xiaoxi; Ivanova, Nina; Hadzovic, Alen; Zimmer-De Iuliis, Marco; Lough, Alan J.; Morris, Robert H.","Use of an Iodide-Modified Merrifield Resin in the Synthesis of Ruthenium Hydride Complexes. The Structure of RuHI((R)-binap)(PPh3)","Organometallics","2008","27","4","503","","10.1021/om700360r","","","0.71073","MoKα","","0.0732","0.0433","","","0.0864","0.0992","","","","","","1.038","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070529","6.6064","0.0001","7.1808","0.0001","9.0424","0.0002","100.621","0.001","92.0073","0.0011","103.101","0.0013","409.317","0.013","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C5 H5 Br3 Zr -","- C5 H5 Br3 Zr -","- C10 H10 Br6 Zr2 -","2","1","","Glöckner, Andreas; Arif, Atta M.; Ernst, Richard D.","Isolation and Characterization of Bromination Products of Zr(C5H5)2Br2","Organometallics","2008","27","3","327","","10.1021/om700437w","","","0.71073","MoKα","","0.0376","0.0363","","","0.1116","0.1126","","","","","","1.101","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070530","10.5696","0.0001","16.7523","0.0003","11.6071","0.0002","90","","116.499","0.0011","90","","1839.3","0.05","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 Br6 O Zr2 -","- C10 H12 Br6 O Zr2 -","- C40 H48 Br24 O4 Zr8 -","4","1","","Glöckner, Andreas; Arif, Atta M.; Ernst, Richard D.","Isolation and Characterization of Bromination Products of Zr(C5H5)2Br2","Organometallics","2008","27","3","327","","10.1021/om700437w","","","0.71073","MoKα","","0.0521","0.0382","","","0.0909","0.097","","","","","","1.028","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070531","17.1182","0.0003","17.3886","0.0003","17.2162","0.0004","90","","111.866","0.0007","90","","4755.92","0.16","150","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C17 H19 Br17 Cl4 Zr5 -","- C17 H19 Br17 Cl4 Zr5 -","- C68 H76 Br68 Cl16 Zr20 -","4","1","","Glöckner, Andreas; Arif, Atta M.; Ernst, Richard D.","Isolation and Characterization of Bromination Products of Zr(C5H5)2Br2","Organometallics","2008","27","3","327","","10.1021/om700437w","","","0.71073","MoKα","","0.1055","0.0586","","","0.1172","0.1315","","","","","","1.043","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070532","9.7079","0.0006","10.1259","0.0006","12.1991","0.0007","110.563","0.001","96.051","0.001","93.479","0.001","1110.36","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H31 Au Br P -","- C24 H31 Au Br P -","- C48 H62 Au2 Br2 P2 -","2","1","","Partyka, David V.; Robilotto, Thomas J.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Dialkylbiarylphosphine Complexes of Gold(I) Halides. Gold−Aryl π-Interactions in the Solid State","Organometallics","2008","27","1","28","","10.1021/om700517q","","","0.71073","MoKα","","0.0206","0.0196","","","0.0493","0.0497","","","","","","1.011","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070533","22.9442","0.0015","10.0227","0.0006","19.9907","0.0013","90","","93.204","0.001","90","","4589.9","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H33 Au Cl P -","- C25 H33 Au Cl P -","- C200 H264 Au8 Cl8 P8 -","8","1","","Partyka, David V.; Robilotto, Thomas J.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Dialkylbiarylphosphine Complexes of Gold(I) Halides. Gold−Aryl π-Interactions in the Solid State","Organometallics","2008","27","1","28","","10.1021/om700517q","","","0.71073","MoKα","","0.0353","0.0337","","","0.0713","0.0718","","","","","","1.37","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070534","23.054","0.004","10.1873","0.0017","19.95","0.003","90","","92.877","0.003","90","","4679.5","1.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H33 Au Br P -","- C25 H33 Au Br P -","- C200 H264 Au8 Br8 P8 -","8","1","","Partyka, David V.; Robilotto, Thomas J.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Dialkylbiarylphosphine Complexes of Gold(I) Halides. Gold−Aryl π-Interactions in the Solid State","Organometallics","2008","27","1","28","","10.1021/om700517q","","","0.71073","MoKα","","0.0419","0.041","","","0.0825","0.0828","","","","","","1.454","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070535","40.675","0.007","8.8858","0.0016","17.537","0.003","90","","97.18","0.003","90","","6288.7","1.9","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H49 Au Cl P -","- C33 H49 Au Cl P -","- C264 H392 Au8 Cl8 P8 -","8","1","","Partyka, David V.; Robilotto, Thomas J.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Dialkylbiarylphosphine Complexes of Gold(I) Halides. Gold−Aryl π-Interactions in the Solid State","Organometallics","2008","27","1","28","","10.1021/om700517q","","","0.71073","MoKα","","0.0448","0.0416","","","0.0919","0.0972","","","","","","1.335","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070536","11.5636","0.0014","14.2767","0.0017","21.04","0.003","90.776","0.003","98.288","0.003","93.685","0.003","3429.2","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 Au Br P -","- C36 H52 Au Br P -","- C144 H208 Au4 Br4 P4 -","4","2","","Partyka, David V.; Robilotto, Thomas J.; Zeller, Matthias; Hunter, Allen D.; Gray, Thomas G.","Dialkylbiarylphosphine Complexes of Gold(I) Halides. Gold−Aryl π-Interactions in the Solid State","Organometallics","2008","27","1","28","","10.1021/om700517q","","","0.71073","MoKα","","0.0445","0.0342","","","0.087","0.0899","","","","","","1.003","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070537","16.1229","0.0011","21.8507","0.0013","18.5574","0.0011","90","","90","","90","","6537.7","0.7","100","2","100","2","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C71 H90 B Fe N2 O Si2 U -","- C71 H90 B Fe N2 O Si2 U -","- C284 H360 B4 Fe4 N8 O4 Si8 U4 -","4","1","","Monreal, Marisa J.; Diaconescu, Paula L.","A Weak Interaction between Iron and Uranium in Uranium Alkyl Complexes Supported by Ferrocene Diamide Ligands","Organometallics","2008","27","8","1702","","10.1021/om700541u","","","0.71073","MoKα","","0.1096","0.0689","","","0.1294","0.144","","","","","","1.079","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070538","15.1641","0.0012","17.782","0.0015","20.8018","0.0017","90","","90","","90","","5609.2","0.8","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C20 H34 Fe I2 N2 O Si2 U -","- C20 H34 Fe I2 N2 O Si2 U -","- C160 H272 Fe8 I16 N16 O8 Si16 U8 -","8","1","","Monreal, Marisa J.; Diaconescu, Paula L.","A Weak Interaction between Iron and Uranium in Uranium Alkyl Complexes Supported by Ferrocene Diamide Ligands","Organometallics","2008","27","8","1702","","10.1021/om700541u","","","0.71073","MoKα","","0.041","0.022","","","0.0395","0.0445","","","","","","1.017","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070539","12.316","0.002","13.413","0.003","22.081","0.004","90","","95.153","0.002","90","","3632.9","1.2","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C36 H48 Fe N2 Si2 U -","- C36 H48 Fe N2 Si2 U -","- C144 H192 Fe4 N8 Si8 U4 -","4","1","","Monreal, Marisa J.; Diaconescu, Paula L.","A Weak Interaction between Iron and Uranium in Uranium Alkyl Complexes Supported by Ferrocene Diamide Ligands","Organometallics","2008","27","8","1702","","10.1021/om700541u","","","0.71073","MoKα","","0.1018","0.0895","","","0.2026","0.2096","","","","","","1.126","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070540","26.6853","0.0006","14.9164","0.0003","32.2051","0.0008","90","","100.476","0.001","90","","12605.5","0.5","213","2","213","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,1,1,3,3,4,5,5,7,7,8,8,10,10,11,12,12,14,14,14-Docosamethyl- 2,2,6,6,9,9,13,13-octakis(trimethylsilyl)-4,11- bis[1',1',3',3',3'-pentamethyl-2',2?-bis(trimethylsilyl)- trisilanyl]tetradecasilane","","- C66 H198 Si32 -","- C66 H198 Si32 -","- C264 H792 Si128 -","4","0.5","","Krempner, Clemens; Köckerling, Martin","Nanoscale Double-Core Oligosilane Dendrimers: Synthesis, Structure, and Electronic Properties","Organometallics","2008","27","3","346","","10.1021/om700544e","","","0.71073","MoKα","","0.1308","0.0814","","","0.2364","0.2604","","","","","","1.09","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4070541","24.622","0.002","14.719","0.002","32.45","0.003","90","","111.04","0.006","90","","10976","2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1,1,1,2,3,3,4,5,5,7,7,8,8,10,10,11,12,12,13,14,14,14-Eicosamethyl- 2,6,6,9,9,13-hexakis(trimethylsilyl)-4,11- bis[1',1',2?,3',3',3'-hexaamethyl-2'- bis(trimethylsilyl)-trisilanyl]tetradecasilane","","- C58 H174 Si28 -","- C58 H174 Si28 -","- C232 H696 Si112 -","4","0.5","","Krempner, Clemens; Köckerling, Martin","Nanoscale Double-Core Oligosilane Dendrimers: Synthesis, Structure, and Electronic Properties","Organometallics","2008","27","3","346","","10.1021/om700544e","","","0.71073","MoKα","","0.1998","0.065","","","0.1546","0.1819","","","","","","0.904","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070542","8.9197","0.0005","14.9354","0.0008","12.4181","0.0007","90","","100.74","0.001","90","","1625.35","0.16","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 F3 Ga N4 -","- C16 H14 F3 Ga N4 -","- C64 H56 F12 Ga4 N16 -","4","1","","Song, Yi-Hwa; Chiu, Yuan-Chieh; Chi, Yun; Chou, Pi-Tai; Cheng, Yi-Ming; Lin, Chun-Wei; Lee, Gene-Hsiang; Carty, Arthur J.","Synthesis, Characterization, and Photophysical Properties of Luminescent Gallium and Indium Complexes Constructed using Tridentate 6-Azolyl-2,2′-bipyridine Chelates","Organometallics","2008","27","1","80","","10.1021/om700577y","","","0.71073","MoKα","","0.0367","0.0309","","","0.0716","0.0744","","","","","","1.039","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070543","6.8471","0.0006","8.6997","0.0007","9.0856","0.0007","88.128","0.002","82.9","0.002","70.894","0.002","507.46","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H20 In2 N10 -","- C16 H20 In2 N10 -","- C16 H20 In2 N10 -","1","0.5","","Song, Yi-Hwa; Chiu, Yuan-Chieh; Chi, Yun; Chou, Pi-Tai; Cheng, Yi-Ming; Lin, Chun-Wei; Lee, Gene-Hsiang; Carty, Arthur J.","Synthesis, Characterization, and Photophysical Properties of Luminescent Gallium and Indium Complexes Constructed using Tridentate 6-Azolyl-2,2′-bipyridine Chelates","Organometallics","2008","27","1","80","","10.1021/om700577y","","","0.71073","MoKα","","0.0184","0.0171","","","0.043","0.0435","","","","","","1.043","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070544","14.0228","0.0016","17.5293","0.0017","23.478","0.002","90","","100.962","0.007","90","","5665.8","1","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H56 Cl5 F P4 Ru -","- C62 H56 Cl5 F P4 Ru -","- C248 H224 Cl20 F4 P16 Ru4 -","4","1","","Gauthier, Nicolas; Olivier, Céline; Rigaut, Stéphane; Touchard, Daniel; Roisnel, Thierry; Humphrey, Mark G.; Paul, Frédéric","Intramolecular Optical Electron Transfer in Mixed-Valent Dinuclear Iron−Ruthenium Complexes Featuring a 1,4-Diethynylaryl Spacer","Organometallics","2008","27","6","1063","","10.1021/om700584m","","x-ray","0.71073","MoKα","","0.1362","0.0846","","","0.1883","0.2149","","","","","","1.035","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070545","11.3181","0.0014","18.874","0.002","13.5474","0.0017","90","","113.76","0.002","90","","2648.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","01062a","","","- C27 H44 K O P -","- C27 H44 K O P -","- C108 H176 K4 O4 P4 -","4","1","","Brady, Erik D.; Chmely, Stephen C.; Jayaratne, Kumudini C.; Hanusa, Timothy P.; Young, Victor G.","s-Block Metal Complexes of the Bis(tetramethylcyclopentadienyl) Phosphonium Diylide [Me(t-Bu)P(C5Me4)2]−","Organometallics","2008","27","7","1612","","10.1021/om700635c","","","0.71073","MoKα","","0.05","0.0454","","","0.1289","0.1337","","","","","","1.053","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070546","15.615","0.005","10.092","0.003","21.098","0.006","90","","104.88","0.005","90","","3213.3","1.7","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","01022a","","","- C29 H54 Ca N P Si2 -","- C29 H54 Ca N P Si2 -","- C116 H216 Ca4 N4 P4 Si8 -","4","1","","Brady, Erik D.; Chmely, Stephen C.; Jayaratne, Kumudini C.; Hanusa, Timothy P.; Young, Victor G.","s-Block Metal Complexes of the Bis(tetramethylcyclopentadienyl) Phosphonium Diylide [Me(t-Bu)P(C5Me4)2]−","Organometallics","2008","27","7","1612","","10.1021/om700635c","","","0.71073","MoKα","","0.1257","0.0464","","","0.0568","0.1365","","","","","","1.063","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070547","12.553","0.005","13.193","0.005","20.198","0.005","86.425","0.005","76.582","0.005","79.054","0.005","3193.9","1.9","115","2","115","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H71 Cu Fe I N3 P4 -","- C70 H68 Cu Fe I N2 P4 -","- C140 H136 Cu2 Fe2 I2 N4 P8 -","2","1","","Beaupérin, Matthieu; Fayad, Elie; Amardeil, Régine; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Meunier, Philippe; Hierso, Jean-Cyrille","First Copper(I) Ferrocenyltetraphosphine Complexes: Possible Involvement in Sonogashira Cross-Coupling Reaction?","Organometallics","2008","27","7","1506","","10.1021/om700700q","","","0.71073","MoKα","","0.1459","0.0796","","","0.1637","0.1989","","","","","","1.067","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070548","11.7939","0.0002","15.6829","0.0003","18.4282","0.0003","91.007","0.001","103.969","0.001","103.612","0.001","3204.8","0.1","115","2","115","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H71 Cu Fe I N3 P4 -","- C72 H71 Cu Fe I N3 P4 -","- C144 H142 Cu2 Fe2 I2 N6 P8 -","2","1","","Beaupérin, Matthieu; Fayad, Elie; Amardeil, Régine; Cattey, Hélène; Richard, Philippe; Brandès, Stéphane; Meunier, Philippe; Hierso, Jean-Cyrille","First Copper(I) Ferrocenyltetraphosphine Complexes: Possible Involvement in Sonogashira Cross-Coupling Reaction?","Organometallics","2008","27","7","1506","","10.1021/om700700q","","","0.71073","MoKα","","0.0643","0.0585","","","0.1338","0.1363","","","","","","1.218","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070549","13.5186","0.0013","19.2906","0.0019","22.476","0.002","90","","99.559","0.001","90","","5780","0.9","273","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C52 H91 Fe2 K N4 O2 Sc Si4 -","- C52 H91 Fe2 K N4 O2 Sc Si4 -","- C208 H364 Fe8 K4 N16 O8 Sc4 Si16 -","4","1","","Carver, Colin T.; Monreal, Marisa J.; Diaconescu, Paula L.","Scandium Alkyl Complexes Supported by a Ferrocene Diamide Ligand","Organometallics","2008","27","3","363","","10.1021/om7007277","","","0.71073","MoKα","","0.0847","0.048","","","0.0979","0.1142","","","","","","1.02","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070550","13.554","0.003","19.352","0.004","20.878","0.004","90","","90","","90","","5476","2","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C51 H84 Fe2 K N4 Sc Si4 -","- C51 H84 Fe2 K N4 Sc Si4 -","- C204 H336 Fe8 K4 N16 Sc4 Si16 -","4","1","","Carver, Colin T.; Monreal, Marisa J.; Diaconescu, Paula L.","Scandium Alkyl Complexes Supported by a Ferrocene Diamide Ligand","Organometallics","2008","27","3","363","","10.1021/om7007277","","","0.71073","MoKα","","0.0848","0.0538","","","0.1035","0.1178","","","","","","1.038","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070551","68.24","0.013","10.606","0.002","19.858","0.004","90","","90","","90","","14372","5","100","2","100","2","","","","","","","","7","I b a 2","I 2 -2c","45","","","","- C35 H57 Fe N2 O Sc Si2 -","- C35 H57 Fe N2 O Sc Si2 -","- C560 H912 Fe16 N32 O16 Sc16 Si32 -","16","2","","Carver, Colin T.; Monreal, Marisa J.; Diaconescu, Paula L.","Scandium Alkyl Complexes Supported by a Ferrocene Diamide Ligand","Organometallics","2008","27","3","363","","10.1021/om7007277","","","0.71073","MoKα","","0.0655","0.0412","","","0.0871","0.0951","","","","","","0.922","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070552","9.913","0.002","12.742","0.003","12.952","0.003","70.982","0.002","70.217","0.002","87.775","0.002","1450.7","0.6","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C24.5 H38 Cl Fe N2 Sc Si2 -","- C24.5 H38 Cl Fe N2 Sc Si2 -","- C49 H76 Cl2 Fe2 N4 Sc2 Si4 -","2","1","","Carver, Colin T.; Monreal, Marisa J.; Diaconescu, Paula L.","Scandium Alkyl Complexes Supported by a Ferrocene Diamide Ligand","Organometallics","2008","27","3","363","","10.1021/om7007277","","","0.71073","MoKα","","0.0456","0.0328","","","0.0796","0.0849","","","","","","0.912","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070553","21.415","0.009","33.894","0.014","9.776","0.004","90","","90","","90","","7096","5","110","2","110","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C32 H60 Fe Li N2 Sc Si2 -","- C32 H60 Fe Li N2 Sc Si2 -","- C256 H480 Fe8 Li8 N16 Sc8 Si16 -","8","0.5","","Carver, Colin T.; Monreal, Marisa J.; Diaconescu, Paula L.","Scandium Alkyl Complexes Supported by a Ferrocene Diamide Ligand","Organometallics","2008","27","3","363","","10.1021/om7007277","","","0.71073","MoKα","","0.0697","0.0656","","","0.146","0.1478","","","","","","1.184","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070554","13.5032","0.0016","12.364","0.0015","21.265","0.003","90","","98.435","0.001","90","","3511.9","0.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H59 Al2 Fe N2 Sc Si2 -","- C29 H59 Al2 Fe N2 Sc Si2 -","- C116 H236 Al8 Fe4 N8 Sc4 Si8 -","4","1","","Carver, Colin T.; Monreal, Marisa J.; Diaconescu, Paula L.","Scandium Alkyl Complexes Supported by a Ferrocene Diamide Ligand","Organometallics","2008","27","3","363","","10.1021/om7007277","","","0.71073","MoKα","","0.1137","0.0521","","","0.0633","0.0721","","","","","","1.172","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070555","16.0645","0.0015","10.2243","0.001","21.086","0.002","90","","104.469","0.001","90","","3353.5","0.6","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C31 H57 Fe N2 O2 Sc Si2 -","- C31 H57 Fe N2 O2 Sc Si2 -","- C124 H228 Fe4 N8 O8 Sc4 Si8 -","4","1","","Carver, Colin T.; Monreal, Marisa J.; Diaconescu, Paula L.","Scandium Alkyl Complexes Supported by a Ferrocene Diamide Ligand","Organometallics","2008","27","3","363","","10.1021/om7007277","","","0.71073","MoKα","","0.0739","0.0439","","","0.0883","0.1016","","","","","","1.014","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070556","10.3428","0.0007","13.0938","0.0009","12.7756","0.0009","90","","97.251","0.001","90","","1716.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 Cl N3 Rh -","- C16 H27 Cl N3 Rh -","- C64 H108 Cl4 N12 Rh4 -","4","1","","Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Bartolomé, M. Isabel; Gierz, Verena; Lahoz, Fernando J.; Oro, Luis A.","Rhodium(I) Complexes with Hemilabile N-Heterocyclic Carbenes: Efficient Alkyne Hydrosilylation Catalysts","Organometallics","2008","27","2","224","","10.1021/om700728a","","","0.71073","MoKα","","0.0258","0.0233","","","0.0512","0.0522","","","","","","1.106","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070557","36.9644","0.001","36.9644","0.001","7.2845","0.0004","90","","90","","120","","8619.8","0.6","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C16 H28 Cl2 N3 Rh -","- C16 H28 Cl2 N3 Rh -","- C288 H504 Cl36 N54 Rh18 -","18","1","","Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Bartolomé, M. Isabel; Gierz, Verena; Lahoz, Fernando J.; Oro, Luis A.","Rhodium(I) Complexes with Hemilabile N-Heterocyclic Carbenes: Efficient Alkyne Hydrosilylation Catalysts","Organometallics","2008","27","2","224","","10.1021/om700728a","","","0.71073","MoKα","","0.036","0.0289","","","0.0658","0.0684","","","","","","1.021","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070558","23.094","0.002","10.1344","0.001","16.274","0.0011","90","","110.602","0.005","90","","3565.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H46 N2 O S4 U -","- C38 H46 N2 O S4 U -","- C152 H184 N8 O4 S16 U4 -","4","1","","Roger, Mathieu; Belkhiri, Lotfi; Arliguie, Thérèse; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","Uranium and Lanthanide Complexes with the 2-Mercapto Benzothiazolate Ligand: Evidence for a Specific Covalent Binding Site in the Differentiation of Isostructural Lanthanide(III) and Actinide(III) Compounds","Organometallics","2008","27","1","33","","10.1021/om7007315","","","0.71073","MoKα","","0.0507","0.0328","","","0.0654","0.0681","","","","","","1.037","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070559","9.632","0.0006","8.1686","0.0003","39.303","0.002","90","","94.286","0.003","90","","3083.7","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N3 S6 U -","- C31 H27 N3 S6 U -","- C124 H108 N12 S24 U4 -","4","1","","Roger, Mathieu; Belkhiri, Lotfi; Arliguie, Thérèse; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","Uranium and Lanthanide Complexes with the 2-Mercapto Benzothiazolate Ligand: Evidence for a Specific Covalent Binding Site in the Differentiation of Isostructural Lanthanide(III) and Actinide(III) Compounds","Organometallics","2008","27","1","33","","10.1021/om7007315","","","0.71073","MoKα","","0.0428","0.0294","","","0.0626","0.0665","","","","","","0.991","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070560","11.5158","0.0005","12.3498","0.0007","21.6525","0.0012","90.184","0.003","93.485","0.003","114.484","0.003","2795.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H67 K N3 O8 S6 U -","- C51 H67 K N3 O8 S6 U -","- C102 H134 K2 N6 O16 S12 U2 -","2","1","","Roger, Mathieu; Belkhiri, Lotfi; Arliguie, Thérèse; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","Uranium and Lanthanide Complexes with the 2-Mercapto Benzothiazolate Ligand: Evidence for a Specific Covalent Binding Site in the Differentiation of Isostructural Lanthanide(III) and Actinide(III) Compounds","Organometallics","2008","27","1","33","","10.1021/om7007315","","","0.71073","MoKα","","0.0576","0.0445","","","0.0978","0.104","","","","","","1.036","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4070561","25.1934","0.0011","23.1439","0.0015","21.3284","0.0007","90","","90","","90","","12436","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H75 K La N3 O11 S6 -","- C55 H75 K La N3 O11 S6 -","- C440 H600 K8 La8 N24 O88 S48 -","8","1","","Roger, Mathieu; Belkhiri, Lotfi; Arliguie, Thérèse; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","Uranium and Lanthanide Complexes with the 2-Mercapto Benzothiazolate Ligand: Evidence for a Specific Covalent Binding Site in the Differentiation of Isostructural Lanthanide(III) and Actinide(III) Compounds","Organometallics","2008","27","1","33","","10.1021/om7007315","","","0.71073","MoKα","","0.122","0.0994","","","0.2862","0.3071","","","","","","1.054","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070562","25.1464","0.0019","23.1691","0.0011","21.3386","0.0016","90","","90","","90","","12432.3","1.4","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H75 Ce K N3 O11 S6 -","- C55 H75 Ce K N3 O11 S6 -","- C440 H600 Ce8 K8 N24 O88 S48 -","8","1","","Roger, Mathieu; Belkhiri, Lotfi; Arliguie, Thérèse; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","Uranium and Lanthanide Complexes with the 2-Mercapto Benzothiazolate Ligand: Evidence for a Specific Covalent Binding Site in the Differentiation of Isostructural Lanthanide(III) and Actinide(III) Compounds","Organometallics","2008","27","1","33","","10.1021/om7007315","","","0.71073","MoKα","","0.1903","0.104","","","0.2796","0.3236","","","","","","1.054","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070563","25.0619","0.0013","23.1566","0.0007","21.2957","0.0011","90","","90","","90","","12358.9","1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C55 H75 K N3 Nd O11 S6 -","- C55 H75 K N3 Nd O11 S6 -","- C440 H600 K8 N24 Nd8 O88 S48 -","8","1","","Roger, Mathieu; Belkhiri, Lotfi; Arliguie, Thérèse; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel","Uranium and Lanthanide Complexes with the 2-Mercapto Benzothiazolate Ligand: Evidence for a Specific Covalent Binding Site in the Differentiation of Isostructural Lanthanide(III) and Actinide(III) Compounds","Organometallics","2008","27","1","33","","10.1021/om7007315","","","0.71073","MoKα","","0.1516","0.0964","","","0.2784","0.3071","","","","","","1.098","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070564","11.1359","0.0005","12.7246","0.0006","12.9267","0.0006","76.003","0.001","74.189","0.001","64.557","0.001","1574.97","0.13","86","2","86","2","","","","","","","","5","P -1","-P 1","2","Arene-Y(CH2SiMe3)2.THF","","","- C32 H47 O Si2 Y -","- C32 H47 O Si2 Y -","- C64 H94 O2 Si4 Y2 -","2","1","","Sun, Jianlong; Berg, David J.; Twamley, Brendan","Yttrium Complexes of a Phenanthrene-Fused Cyclopentadienyl: Synthetic, Structural, and Reactivity Studies","Organometallics","2008","27","4","683","","10.1021/om7007343","","","0.71073","MoKα","","0.035","0.0305","","","0.075","0.077","","","","","","1.049","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070565","10.5591","0.0012","24.499","0.003","27.461","0.003","90","","100.724","0.01","90","","6979.7","1.4","89","2","89","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C68 H86 O2 Si4 Y2, C7 H8","","","- C75 H94 O2 Si4 Y2 -","- C75 H94 O2 Si4 Y2 -","- C300 H376 O8 Si16 Y8 -","4","1","","Sun, Jianlong; Berg, David J.; Twamley, Brendan","Yttrium Complexes of a Phenanthrene-Fused Cyclopentadienyl: Synthetic, Structural, and Reactivity Studies","Organometallics","2008","27","4","683","","10.1021/om7007343","","","0.71073","MoKα","","0.0662","0.0425","","","0.0849","0.0926","","","","","","1.03","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070566","13.87","0.003","22.02","0.004","15.361","0.003","90","","95.34","0.03","90","","4671.2","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H49 Ir N4 O2 -","- C56 H45 Ir N4 O2 -","- C224 H180 Ir4 N16 O8 -","4","1","","Cheung, Chi Wai; Chan, Kin Shing","Base-Promoted Selective Activation of Benzylic Carbon−Hydrogen Bonds of Toluenes by Iridium(III) Porphyrin","Organometallics","2008","27","13","3043","","10.1021/om700751h","","","0.71073","MoKα","","0.0945","0.0503","","","0.1372","0.1569","","","","","","1.043","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070567","7.6573","0.0012","16.574","0.003","21.973","0.003","90","","90.18","0.003","90","","2788.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C55 H42 Ir N5 O2 -","- C55 Ir N5 O2 -","- C110 Ir2 N10 O4 -","2","0.5","","Cheung, Chi Wai; Chan, Kin Shing","Base-Promoted Selective Activation of Benzylic Carbon−Hydrogen Bonds of Toluenes by Iridium(III) Porphyrin","Organometallics","2008","27","13","3043","","10.1021/om700751h","","","0.71073","MoKα","","0.1024","0.0582","","","0.1621","0.1925","","","","","","1.095","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070568","12.755","0.003","22.544","0.006","16.701","0.004","90","","100.692","0.006","90","","4719","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C59 H51 Ir N4 -","- C59 H51 Ir N4 -","- C236 H204 Ir4 N16 -","4","1","","Cheung, Chi Wai; Chan, Kin Shing","Base-Promoted Selective Activation of Benzylic Carbon−Hydrogen Bonds of Toluenes by Iridium(III) Porphyrin","Organometallics","2008","27","13","3043","","10.1021/om700751h","","","0.71073","MoKα","","0.0658","0.0422","","","0.1022","0.1198","","","","","","1.074","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070569","7.9288","0.0002","15.1703","0.0004","10.52","0.0002","90","","99.605","0.002","90","","1247.63","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H30 Cl4 N2 P2 Pt -","- C19 H30 Cl4 N2 P2 Pt -","- C38 H60 Cl8 N4 P4 Pt2 -","2","1","","Das, Atanu Kumar; Bulak, Ece; Sarkar, Biprajit; Lissner, Falk; Schleid, Thomas; Niemeyer, Mark; Fiedler, Jan; Kaim, Wolfgang","Structures and Redox Properties of Metal Complexes of the Electron-Deficient Diphosphine Chelate LigandR,R-QuinoxP","Organometallics","2008","27","2","218","","10.1021/om700755y","","","0.71073","MoKα","","0.0479","0.0429","","","0.1019","0.1043","","","","","","1.051","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070570","7.9252","0.0001","15.1396","0.0003","10.4448","0.0002","90","","99.015","0.001","90","","1237.73","0.04","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H30 Cl4 N2 P2 Pd -","- C19 H30 Cl4 N2 P2 Pd -","- C38 H60 Cl8 N4 P4 Pd2 -","2","1","","Das, Atanu Kumar; Bulak, Ece; Sarkar, Biprajit; Lissner, Falk; Schleid, Thomas; Niemeyer, Mark; Fiedler, Jan; Kaim, Wolfgang","Structures and Redox Properties of Metal Complexes of the Electron-Deficient Diphosphine Chelate LigandR,R-QuinoxP","Organometallics","2008","27","2","218","","10.1021/om700755y","","","0.71073","MoKα","","0.0338","0.0317","","","0.0794","0.0807","","","","","","1.023","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070571","22.692","0.004","11.993","0.002","10.439","0.0015","90","","104.375","0.012","90","","2752","0.8","173","2","173","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C21 H28 Cl N2 O3 P2 Re -","- C21 H28 Cl N2 O3 P2 Re -","- C84 H112 Cl4 N8 O12 P8 Re4 -","4","1","","Das, Atanu Kumar; Bulak, Ece; Sarkar, Biprajit; Lissner, Falk; Schleid, Thomas; Niemeyer, Mark; Fiedler, Jan; Kaim, Wolfgang","Structures and Redox Properties of Metal Complexes of the Electron-Deficient Diphosphine Chelate LigandR,R-QuinoxP","Organometallics","2008","27","2","218","","10.1021/om700755y","","","0.71073","MoKα","","0.0303","0.0278","","","0.0668","0.0674","","","","","","0.998","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070572","11.3899","0.0007","15.0631","0.0009","18.4369","0.0011","87.7008","0.0012","76.4194","0.0011","88.4252","0.0011","3071.7","0.3","193","2","193","2","","","","","","","","10","P -1","-P 1","2","","","","- C61 H54 Cl2 F3 N2 O9 Os P4 Rh S -","- C61 H54 Cl2 F3 N2 O9 Os P4 Rh S -","- C122 H108 Cl4 F6 N4 O18 Os2 P8 Rh2 S2 -","2","1","","Samant, Rahul G.; Graham, Todd W.; Rowsell, Bryan D.; McDonald, Robert; Cowie, Martin","Coordination and Activation of Diazoalkanes in the Presence of Rh/Ru and Rh/Os Metal Combinations","Organometallics","2008","27","13","3070","","10.1021/om700756q","","","0.71073","MoKα","","0.0304","0.0281","","","0.0743","0.0765","","","","","","1.038","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070573","9.7862","0.0005","16.7367","0.0008","11.0019","0.0005","90","","112.949","0.001","90","","1659.36","0.14","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[CpRu(Car)](PF6)","[CpRu(Car)](PF6)","","- C17 H14 F6 N P Ru -","- C17 H14 F6 N P Ru -","- C68 H56 F24 N4 P4 Ru4 -","4","1","","Choi, Moon-Gun; Ho, Teh C.; Angelici, Robert J.","Arene Binding Affinities in [CpRu(η6-arene)]+Complexes: Models for the Adsorption of Arenes on Hydrodesulfurization Catalysts","Organometallics","2008","27","6","1098","","10.1021/om700773j","","","0.71073","MoKα","","0.0581","0.0549","","","0.1659","0.1689","","","","","","1.07","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070574","11.982","0.004","12.206","0.005","21.559","0.008","80.422","0.033","79.953","0.027","61.608","0.028","2718.6","1.9","193","","193","","","","","","","","","7","P -1","-P 1","2","Ir2(tfepma)3H4","","","- C27 H37 F36 Ir2 N3 O12 P6 -","- C27 H37 F36 Ir2 N3 O12 P6 -","- C54 H74 F72 Ir4 N6 O24 P12 -","2","1","","Esswein, Arthur J.; Veige, Adam S.; Piccoli, Paula M. B.; Schultz, Arthur J.; Nocera, Daniel G.","Intramolecular C−H Bond Activation and Redox Isomerization across Two-Electron Mixed Valence Diiridium Cores","Organometallics","2008","27","6","1073","","10.1021/om7007748","powder diffraction","neutron","","neutron","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070575","5.195","0.005","9.58","0.009","41.29","0.04","90","","90","0.018","90","","2055","3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H16 N4 S4 -","- C20 H16 N4 S4 -","- C80 H64 N16 S16 -","4","2","","Liu, Wei; Wang, Ru; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Syntheses, Structures, and Properties of Tricarbonyl Rhenium(I) Heteronuclear Complexes with a New Bridging Ligand Containing Coupled Bis(2-pyridyl) and 1,2-Dithiolene Units","Organometallics","2008","27","1","126","","10.1021/om700776s","","","0.71073","MoKα","","0.0948","0.0862","","","0.2298","0.243","","","","","","1.154","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070576","17.761","0.008","10.191","0.004","22.264","0.007","90","","116.61","0.03","90","","3603","3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Br Cl6 N4 O3 Re S4 -","- C25 H18 Br Cl6 N4 O3 Re S4 -","- C100 H72 Br4 Cl24 N16 O12 Re4 S16 -","4","1","","Liu, Wei; Wang, Ru; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Syntheses, Structures, and Properties of Tricarbonyl Rhenium(I) Heteronuclear Complexes with a New Bridging Ligand Containing Coupled Bis(2-pyridyl) and 1,2-Dithiolene Units","Organometallics","2008","27","1","126","","10.1021/om700776s","","","0.71073","MoKα","","0.1567","0.0853","","","0.1843","0.2121","","","","","","1.001","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070577","17.174","0.009","14.14","0.007","22.72","0.012","90","","93.788","0.01","90","","5505","5","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C51 H45 Au2 Cl2 N2 O2.5 P2 S4 -","- C51 H45 Au2 Cl2 N2 O2.5 P2 S4 -","- C204 H180 Au8 Cl8 N8 O10 P8 S16 -","4","1","","Liu, Wei; Wang, Ru; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Syntheses, Structures, and Properties of Tricarbonyl Rhenium(I) Heteronuclear Complexes with a New Bridging Ligand Containing Coupled Bis(2-pyridyl) and 1,2-Dithiolene Units","Organometallics","2008","27","1","126","","10.1021/om700776s","","","0.71073","MoKα","","0.0954","0.0566","","","0.1509","0.1669","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070578","12.413","0.002","15.205","0.003","17.43","0.003","103.993","0.004","104.478","0.004","99.802","0.004","2996.1","0.9","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C55 H42 Au2 Cl5 N2 O3 P2 Re S4 -","- C55 H42 Au2 Cl5 N2 O3 P2 Re S4 -","- C110 H84 Au4 Cl10 N4 O6 P4 Re2 S8 -","2","1","","Liu, Wei; Wang, Ru; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Syntheses, Structures, and Properties of Tricarbonyl Rhenium(I) Heteronuclear Complexes with a New Bridging Ligand Containing Coupled Bis(2-pyridyl) and 1,2-Dithiolene Units","Organometallics","2008","27","1","126","","10.1021/om700776s","","","0.71073","MoKα","","0.0932","0.0632","","","0.1547","0.1675","","","","","","0.983","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070579","18.866","0.005","10.91","0.003","15.82","0.004","90","","104.639","0.005","90","","3150.5","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 N4 Pt S4 -","- C32 H32 N4 Pt S4 -","- C128 H128 N16 Pt4 S16 -","4","1","","Liu, Wei; Wang, Ru; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Syntheses, Structures, and Properties of Tricarbonyl Rhenium(I) Heteronuclear Complexes with a New Bridging Ligand Containing Coupled Bis(2-pyridyl) and 1,2-Dithiolene Units","Organometallics","2008","27","1","126","","10.1021/om700776s","","","0.71073","MoKα","","0.0909","0.0642","","","0.1604","0.17","","","","","","0.988","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4070580","8.9503","0.0017","13.158","0.003","17.986","0.003","100.325","0.003","94.305","0.003","98.211","0.004","2051.5","0.7","293","2","273","2","","","","","","","","8","P -1","-P 1","2","","","","- C38 H39 Cl N5 O4 Pt Re S4 -","- C38 H39 Cl N5 O4 Pt Re S4 -","- C76 H78 Cl2 N10 O8 Pt2 Re2 S8 -","2","1","","Liu, Wei; Wang, Ru; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Syntheses, Structures, and Properties of Tricarbonyl Rhenium(I) Heteronuclear Complexes with a New Bridging Ligand Containing Coupled Bis(2-pyridyl) and 1,2-Dithiolene Units","Organometallics","2008","27","1","126","","10.1021/om700776s","","","0.71073","MoKα","","0.0642","0.0558","","","0.1283","0.1326","","","","","","1.195","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070581","13.5476","0.001","14.3566","0.0011","8.4221","0.0006","90","","90","","90","","1638.1","0.2","193","2","193","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C31 H48 Br2 N4 Rh2 -","- C31 H48 Br2 N4 Rh2 -","- C62 H96 Br4 N8 Rh4 -","2","0.5","","Wells, Kyle D.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","A-Frame Complexes of Dirhodium Bridged by Dicarbene and Diphosphine Ligands","Organometallics","2008","27","4","691","","10.1021/om7007937","","","0.71073","MoKα","","0.0193","0.0185","","","0.0469","0.0472","","","","","","1.04","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070582","11.8636","0.0009","22.2177","0.0017","12.4686","0.0009","90","","90","","90","","3286.5","0.4","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C32 H50 Cl2 N4 Rh2 -","- C32 H50 Cl2 N4 Rh2 -","- C128 H200 Cl8 N16 Rh8 -","4","0.5","","Wells, Kyle D.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","A-Frame Complexes of Dirhodium Bridged by Dicarbene and Diphosphine Ligands","Organometallics","2008","27","4","691","","10.1021/om7007937","","","0.71073","MoKα","","0.0558","0.0509","","","0.1161","0.1183","","","","","","1.283","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070583","12.8695","0.0013","13.727","0.0014","11.6622","0.0012","90","","93.176","0.002","90","","2057.1","0.4","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Br2 N4 O4 Rh2 -","- C14 H14 Br2 N4 O4 Rh2 -","- C56 H56 Br8 N16 O16 Rh8 -","4","1","","Wells, Kyle D.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","A-Frame Complexes of Dirhodium Bridged by Dicarbene and Diphosphine Ligands","Organometallics","2008","27","4","691","","10.1021/om7007937","","","0.71073","MoKα","","0.0276","0.0223","","","0.0555","0.0578","","","","","","1.039","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070584","9.8546","0.0008","15.6685","0.0013","20.6221","0.0017","80.025","0.002","82.513","0.002","85.2524","0.0018","3103.4","0.4","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C66.5 H67 B Br Cl N4 O2 P2 Rh2 -","- C66.5 H67 B Br Cl N4 O2 P2 Rh2 -","- C133 H134 B2 Br2 Cl2 N8 O4 P4 Rh4 -","2","1","","Wells, Kyle D.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","A-Frame Complexes of Dirhodium Bridged by Dicarbene and Diphosphine Ligands","Organometallics","2008","27","4","691","","10.1021/om7007937","","","0.71073","MoKα","","0.0479","0.0402","","","0.1368","0.1427","","","","","","1.138","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4070585","11.3885","0.0008","15.9168","0.0011","18.2173","0.0013","81.3302","0.0011","88.8169","0.0011","70.5456","0.001","3076.6","0.4","193","2","193","2","","","","","","","","8","P -1","-P 1","2","","","","- C70 H65 B Br N4 O2 P2 Rh2 -","- C70 H65 B Br N4 O2 P2 Rh2 -","- C140 H130 B2 Br2 N8 O4 P4 Rh4 -","2","1","","Wells, Kyle D.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","A-Frame Complexes of Dirhodium Bridged by Dicarbene and Diphosphine Ligands","Organometallics","2008","27","4","691","","10.1021/om7007937","","","0.71073","MoKα","","0.0588","0.0376","","","0.0902","0.1082","","","","","","1.068","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070586","14.2878","0.0009","14.4048","0.0009","15.9943","0.001","105.019","0.0008","113.443","0.0008","97.7086","0.0009","2810.5","0.3","193","2","193","2","","","","","","","","9","P -1","-P 1","2","","","","- C45 H50 Br Cl6 I N6 O2 P2 Rh2 -","- C42 H44 Br I N6 O2 P2 Rh2 -","- C84 H88 Br2 I2 N12 O4 P4 Rh4 -","2","1","","Wells, Kyle D.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","A-Frame Complexes of Dirhodium Bridged by Dicarbene and Diphosphine Ligands","Organometallics","2008","27","4","691","","10.1021/om7007937","","","0.71073","MoKα","","0.0343","0.0304","","","0.0804","0.0827","","","","","","1.086","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070587","18.8274","0.0017","15.4094","0.0014","23.436","0.002","90","","98.2285","0.0013","90","","6729.2","1","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C66 H62 F6 N4 O8 P4 Rh2 S2 -","- C66 H62 F6 N4 O8 P4 Rh2 S2 -","- C264 H248 F24 N16 O32 P16 Rh8 S8 -","4","1","","Wells, Kyle D.; Ferguson, Michael J.; McDonald, Robert; Cowie, Martin","A-Frame Complexes of Dirhodium Bridged by Dicarbene and Diphosphine Ligands","Organometallics","2008","27","4","691","","10.1021/om7007937","","","0.71073","MoKα","","0.0432","0.0336","","","0.0899","0.0996","","","","","","1.047","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070588","16.49","0.003","19.83","0.003","24.01","0.003","90","","98.589","0.006","90","","7763","2","110","2","110","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C79 H68 B7 Cu Fe2 Ir N O5 P4 -","- C79 H68 B7 Cu Fe2 Ir N O5 P4 -","- C316 H272 B28 Cu4 Fe8 Ir4 N4 O20 P16 -","4","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Tetrametallic Copper and Gold Derivatives of a Cyano-Iridium-Diiron-Monocarborane Cluster","Organometallics","2008","27","1","148","","10.1021/om700801j","","","0.71073","MoKα","","0.1988","0.0758","","","0.1566","0.2052","","","","","","0.96","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070589","15.358","0.005","15.787","0.005","15.948","0.006","85.577","0.009","64.734","0.009","66.82","0.009","3195.2","1.9","110","2","110","2","","","","","","","","10","P -1","-P 1","2","","","","- C62 H55 Au B7 Cl2 Fe2 Ir N O5 P3 -","- C62 H55 Au B7 Cl2 Fe2 Ir N O5 P3 -","- C124 H110 Au2 B14 Cl4 Fe4 Ir2 N2 O10 P6 -","2","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","Tetrametallic Copper and Gold Derivatives of a Cyano-Iridium-Diiron-Monocarborane Cluster","Organometallics","2008","27","1","148","","10.1021/om700801j","","","0.71073","MoKα","","0.0918","0.0491","","","0.0891","0.1056","","","","","","1.014","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070590","19.2495","0.0011","16.5177","0.0009","19.7412","0.0011","90","","90","","90","","6276.9","0.6","187","2","187","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H30 Cl2 F6 N2 O2 Ti -","- C28 H30 Cl2 F6 N2 O2 Ti -","- C224 H240 Cl16 F48 N16 O16 Ti8 -","8","1","","Ye, Wei-Ping; Zhan, Jie; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis and Characterization of Titanium Complexes Bearing Two β-Enaminoketonato Ligands with Electron-Withdrawing Groups and Their Behavior in Ethylene Polymerization","Organometallics","2008","27","15","3642","","10.1021/om700803u","","","0.71073","MoKα","","0.0505","0.04","","","0.1056","0.1147","","","","","","1.021","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070591","25.7113","0.0007","25.7113","0.0007","9.8977","0.0006","90","","90","","90","","6543.1","0.5","187","2","187","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C28 H26 Cl2 F8 N2 O2 Ti -","- C28 H26 Cl2 F8 N2 O2 Ti -","- C224 H208 Cl16 F64 N16 O16 Ti8 -","8","1","","Ye, Wei-Ping; Zhan, Jie; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis and Characterization of Titanium Complexes Bearing Two β-Enaminoketonato Ligands with Electron-Withdrawing Groups and Their Behavior in Ethylene Polymerization","Organometallics","2008","27","15","3642","","10.1021/om700803u","","","0.71073","MoKα","","0.0682","0.056","","","0.1833","0.1935","","","","","","1.138","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070592","12.84","0.002","15.936","0.002","15.369","0.002","90","","94.637","0.002","90","","3134.5","0.7","187","2","187","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Cl2 F8 N2 O2 Ti -","- C28 H28 Cl2 F8 N2 O2 Ti -","- C112 H112 Cl8 F32 N8 O8 Ti4 -","4","0.5","","Ye, Wei-Ping; Zhan, Jie; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis and Characterization of Titanium Complexes Bearing Two β-Enaminoketonato Ligands with Electron-Withdrawing Groups and Their Behavior in Ethylene Polymerization","Organometallics","2008","27","15","3642","","10.1021/om700803u","","","0.71073","MoKα","","0.0882","0.0632","","","0.139","0.1497","","","","","","1.109","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070593","8.5961","0.0005","35.172","0.002","10.6131","0.0006","90","","102.499","0.001","90","","3132.7","0.3","187","2","187","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl2 F8 N2 O2 Ti -","- C28 H10 Cl2 F8 N2 O2 Ti -","- C112 H40 Cl8 F32 N8 O8 Ti4 -","4","1","","Ye, Wei-Ping; Zhan, Jie; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis and Characterization of Titanium Complexes Bearing Two β-Enaminoketonato Ligands with Electron-Withdrawing Groups and Their Behavior in Ethylene Polymerization","Organometallics","2008","27","15","3642","","10.1021/om700803u","","","0.71073","MoKα","","0.0812","0.0681","","","0.1965","0.2111","","","","","","1.011","","","","has coordinates,has disorder","178594","2020-10-21","18:00:00",""
"4070594","13.905","0.0008","16.987","0.001","15.1935","0.0009","90","","99.915","0.001","90","","3535.2","0.4","187","2","187","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H29.5 Cl2 F10 N2 O2 Ti -","- C29.5 H29.5 Cl2 F10 N2 O2 Ti -","- C118 H118 Cl8 F40 N8 O8 Ti4 -","4","1","","Ye, Wei-Ping; Zhan, Jie; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis and Characterization of Titanium Complexes Bearing Two β-Enaminoketonato Ligands with Electron-Withdrawing Groups and Their Behavior in Ethylene Polymerization","Organometallics","2008","27","15","3642","","10.1021/om700803u","","","0.71073","MoKα","","0.0699","0.0507","","","0.1447","0.1622","","","","","","0.968","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070595","9.6966","0.0009","8.6009","0.0008","20.8763","0.0019","90","","102.983","0.001","90","","1696.6","0.3","187","2","187","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cl2 F12 N2 O2 Ti -","- C30 H28 Cl2 F12 N2 O2 Ti -","- C60 H56 Cl4 F24 N4 O4 Ti2 -","2","0.5","","Ye, Wei-Ping; Zhan, Jie; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis and Characterization of Titanium Complexes Bearing Two β-Enaminoketonato Ligands with Electron-Withdrawing Groups and Their Behavior in Ethylene Polymerization","Organometallics","2008","27","15","3642","","10.1021/om700803u","","","0.71073","MoKα","","0.0606","0.0448","","","0.1017","0.1102","","","","","","1.016","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070596","8.596","0.0017","14.522","0.003","11.155","0.002","90","","94.99","0.03","90","","1387.2","0.5","173","2","173","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C22 H35 B Cl2 N4 O S2 Ta -","- C22 H35 B Cl2 N4 O S2 Ta -","- C44 H70 B2 Cl4 N8 O2 S4 Ta2 -","2","0.5","","Hill, Anthony F.; Smith, Matthew K.; Wagler, Jörg","Near Linear Ta−H−B Geometry: [TaCl2(η-C5Me5){κ3-H,S,S′-H2B(methimazolyl)2}]","Organometallics","2008","27","9","2137","","10.1021/om7008099","","","0.71073","MoKα","","0.0365","0.0334","","","0.0837","0.0854","","","","","","1.089","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4070597","10.5252","0.0008","18.4639","0.0014","15.847","0.0012","90","","92.326","0.002","90","","3077.1","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H46 B N6 O2 Rh -","- C29 H46 B N6 O2 Rh -","- C116 H184 B4 N24 O8 Rh4 -","4","1","","Blake, Alexander J.; George, Michael W.; Hall, Michael B.; McMaster, Jonathan; Portius, Peter; Sun, Xue Z.; Towrie, Michael; Webster, Charles Edwin; Wilson, Claire; Zarić, Snežana D.","Probing the Mechanism of Carbon−Hydrogen Bond Activation by Photochemically Generated Hydridotris(pyrazolyl)borato Carbonyl Rhodium Complexes: New Experimental and Theoretical Investigations","Organometallics","2008","27","2","189","","10.1021/om7008217","","","0.71073","MoKα","","0.0456","0.034","","","0.0745","0.0776","","","","","","0.94","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070598","13.7","0.006","14.054","0.006","17.196","0.007","102.186","0.007","99.416","0.005","91.966","0.007","3185","2","113.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C51 H88 F5 O12 P2 Pd Si7 -","- C51 H88 F5 O12 P2 Pd Si7 -","- C102 H176 F10 O24 P4 Pd2 Si14 -","2","1","","Tanabe, Makoto; Mutou, Kohji; Mintcheva, Neli; Osakada, Kohtaro","Preparation and NMR Studies of Palladium Complexes with a Silsesquioxanate Ligand","Organometallics","2008","27","4","519","","10.1021/om700827f","","","0.7107","MoKα","","","0.0603","","","","0.1326","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070599","9.1891","0.0002","12.9671","0.0004","23.1494","0.0006","87.108","0.0012","81.2931","0.0017","84.9957","0.0015","2714.26","0.13","200","","200","","","","","","","","local","9","P -1","-P 1","2","","","","- C53 H53 B Co2 Mo N6 O6 P2 Se -","- C53 H53 B Co2 Mo N6 O6 P2 Se -","- C106 H106 B2 Co4 Mo2 N12 O12 P4 Se2 -","2","1","","Caldwell, Lorraine M.; Hill, Anthony F.; Rae, A. David; Willis, Anthony C.","Alkynylselenolatoalkylidynes: [Mo(CSeCCR)(CO)2{HB(pzMe2)3}] (R = CMe3, SiMe3; pzMe2= 3,5-Dimethylpyrazol-1-yl)","Organometallics","2008","27","3","341","","10.1021/om7008342","","","0.71073","MoKα","","0.0977","0.0512","","0.0721","0.0527","0.0527","","","","","","1.105","","","","has coordinates","178594","2020-10-21","18:00:00",""
"4070600","14.093","0.004","19.431","0.005","20.15","0.005","90","","109.277","0.008","90","","5209","2","200","","200","","","","","","","","local","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H51 B Co2 Mo N6 O6 P2 -","- C53 H51 B Co2 Mo N6 O6 P2 -","- C212 H204 B4 Co8 Mo4 N24 O24 P8 -","4","1","","Caldwell, Lorraine M.; Hill, Anthony F.; Rae, A. David; Willis, Anthony C.","Alkynylselenolatoalkylidynes: [Mo(CSeCCR)(CO)2{HB(pzMe2)3}] (R = CMe3, SiMe3; pzMe2= 3,5-Dimethylpyrazol-1-yl)","Organometallics","2008","27","3","341","","10.1021/om7008342","","","0.71073","MoKα","","0.2773","0.1322","","0.1998","0.1046","0.1046","","","","","","1.0923","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070601","9.8899","0.0002","20.0454","0.0004","11.3937","0.0002","90","","99.5623","0.0011","90","","2227.38","0.07","200","","200","","","","","","","","local","8","P 1 21/n 1","-P 2yn","14","","","","- C13.5 H18 B I2 N6 O0.5 Pt S3 -","- C13.5 H18 B I2 N6 O0.5 Pt S3 -","- C54 H72 B4 I8 N24 O2 Pt4 S12 -","4","1","","Crossley, Ian R.; Hill, Anthony F.; Willis, Anthony C.","Retention of Pt→B Bonding in Oxidative Addition Reactions of the Platinaboratrane [Pt(PPh3){B(mt)3}](Pt→B)10(mt = Methimazolyl)","Organometallics","2008","27","3","312","","10.1021/om700835h","","","0.71073","MoKα","","0.0315","0.0174","","0.0179","0.0162","0.0162","","","","","","1.1089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070602","9.7438","0.0002","12.9979","0.0002","17.1896","0.0003","109.965","0.0009","101.305","0.0013","93.5646","0.0011","1986.73","0.06","200","","200","","","","","","","","?","8","P -1","-P 1","2","","","","- C32 H35 B Cl5 N6 P Pt S3 -","- C32 H35 B Cl5 N6 P Pt S3 -","- C64 H70 B2 Cl10 N12 P2 Pt2 S6 -","2","1","","Crossley, Ian R.; Hill, Anthony F.; Willis, Anthony C.","Retention of Pt→B Bonding in Oxidative Addition Reactions of the Platinaboratrane [Pt(PPh3){B(mt)3}](Pt→B)10(mt = Methimazolyl)","Organometallics","2008","27","3","312","","10.1021/om700835h","","","0.71073","MoKα","","0.0374","0.0261","","0.0373","0.0276","0.0276","","","","","","1.1226","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070603","17.094","0.006","12.559","0.007","22.155","0.012","90","","112.038","0.014","90","","4409","4","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H32 Ge I N Si -","- C17 H32 Ge I N Si -","- C136 H256 Ge8 I8 N8 Si8 -","8","4","","Strohmann, Carsten; Däschlein, Christian","Synthesis of a Highly Enantiomerically Enriched Silagermane and Selective Cleavage of the Si−Ge Bond with Lithium","Organometallics","2008","27","11","2499","","10.1021/om700848z","","","0.71073","MoKα","","0.0647","0.0531","","","0.1274","0.1338","","","","","","1.069","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070604","13.04","0.003","15.018","0.003","18.379","0.004","90","","90.564","0.015","90","","3599.1","1.3","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31.5 H52 B7 Fe N2 O P -","- C31.5 H52 B7 Fe N2 O P -","- C126 H208 B28 Fe4 N8 O4 P4 -","4","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","A 10-Vertex Iron−Dicarbollide System Formed by Insertion of {Fe(CO)4} into 8-Vertex [closo-1-CB7H8]−: Synthesis and Reactivity Studies","Organometallics","2008","27","5","908","","10.1021/om700865s","","","0.71073","MoKα","","0.1348","0.0574","","","0.1065","0.1339","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070605","7.5362","0.0003","8.3695","0.0004","23.0178","0.001","84.158","0.002","83.378","0.003","83.582","0.002","1427.28","0.11","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H26 B7 Co2 Fe O9 P -","- C19 H26 B7 Co2 Fe O9 P -","- C38 H52 B14 Co4 Fe2 O18 P2 -","2","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","A 10-Vertex Iron−Dicarbollide System Formed by Insertion of {Fe(CO)4} into 8-Vertex [closo-1-CB7H8]−: Synthesis and Reactivity Studies","Organometallics","2008","27","5","908","","10.1021/om700865s","","","0.71073","MoKα","","0.0587","0.0373","","","0.0674","0.0747","","","","","","1.013","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070606","13.1331","0.0007","15.1294","0.0008","19.8109","0.001","90","","90","","90","","3936.3","0.4","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C13 H26 B7 Fe O3 P -","- C13 H26 B7 Fe O3 P -","- C104 H208 B56 Fe8 O24 P8 -","8","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","A 10-Vertex Iron−Dicarbollide System Formed by Insertion of {Fe(CO)4} into 8-Vertex [closo-1-CB7H8]−: Synthesis and Reactivity Studies","Organometallics","2008","27","5","908","","10.1021/om700865s","","","0.71073","MoKα","","0.0661","0.0408","","","0.0852","0.0988","","","","","","1.039","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070607","8.7786","0.0006","9.8596","0.0007","15.0003","0.0011","85.101","0.004","79.204","0.003","82.038","0.003","1260.69","0.16","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H41 B7 Fe O2 P2 -","- C18 H41 B7 Fe O2 P2 -","- C36 H82 B14 Fe2 O4 P4 -","2","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","A 10-Vertex Iron−Dicarbollide System Formed by Insertion of {Fe(CO)4} into 8-Vertex [closo-1-CB7H8]−: Synthesis and Reactivity Studies","Organometallics","2008","27","5","908","","10.1021/om700865s","","","0.71073","MoKα","","0.093","0.0764","","","0.1832","0.19","","","","","","1.206","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070608","12.2721","0.0015","14.7948","0.0018","17.112","0.002","106.637","0.006","107.82","0.006","98.8","0.006","2733.7","0.6","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C18.5 H42 B7 Cl Fe O2 P2 -","- C18.5 H42 B7 Cl Fe O2 P2 -","- C74 H168 B28 Cl4 Fe4 O8 P8 -","4","2","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","A 10-Vertex Iron−Dicarbollide System Formed by Insertion of {Fe(CO)4} into 8-Vertex [closo-1-CB7H8]−: Synthesis and Reactivity Studies","Organometallics","2008","27","5","908","","10.1021/om700865s","","","0.71073","MoKα","","0.087","0.0482","","","0.0863","0.1023","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070609","7.8468","0.0005","20.1965","0.0014","16.5178","0.0011","90","","98.123","0.002","90","","2591.4","0.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H43 B7 Fe O2 P2 -","- C19 H43 B7 Fe O2 P2 -","- C76 H172 B28 Fe4 O8 P8 -","4","1","","Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.","A 10-Vertex Iron−Dicarbollide System Formed by Insertion of {Fe(CO)4} into 8-Vertex [closo-1-CB7H8]−: Synthesis and Reactivity Studies","Organometallics","2008","27","5","908","","10.1021/om700865s","","","0.71073","MoKα","","0.078","0.0447","","","0.0868","0.099","","","","","","1.014","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070610","10.457","0.0008","22.908","0.002","12.7945","0.0011","90","","93.873","0.005","90","","3057.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Pd hydrazobenzene p-CF3-phenylNC precursor","","","- C28 H20 Cl2 F6 N4 Pd -","- C28 H20 Cl2 F6 N4 Pd -","- C112 H80 Cl8 F24 N16 Pd4 -","4","1","","Wanniarachchi, Yoshitha A.; Slaughter, LeGrande M.","Reversible Chelate Ring Opening of a Sterically Crowded Palladium Bis(acyclic diaminocarbene) Complex","Organometallics","2008","27","6","1055","","10.1021/om700866p","","x-ray","0.71073","MoKα","","0.0722","0.0432","","","0.0854","0.0926","","","","","","0.981","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070611","9.0014","0.0005","11.4002","0.0006","14.646","0.0007","110.666","0.003","93.013","0.003","100.034","0.003","1374.07","0.13","170","2","170","2","","","","","","","","6","P -1","-P 1","2","Pd hydrazobenzene dicarbene dichloride","","","- C28 H20 Cl2 F6 N4 Pd -","- C28 H20 Cl2 F6 N4 Pd -","- C56 H40 Cl4 F12 N8 Pd2 -","2","1","","Wanniarachchi, Yoshitha A.; Slaughter, LeGrande M.","Reversible Chelate Ring Opening of a Sterically Crowded Palladium Bis(acyclic diaminocarbene) Complex","Organometallics","2008","27","6","1055","","10.1021/om700866p","","x-ray","0.71073","MoKα","","0.063","0.0477","","","0.1077","0.1175","","","","","","1.034","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070612","5.1979","0.0002","19.9137","0.001","9.6023","0.0005","90","","99.177","0.003","90","","981.21","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","sodium 7-azaindol-7-ylboranate dioxane solvate","","- C9 H12 B N2 Na O -","- C9 H12 B N2 Na O -","- C36 H48 B4 N8 Na4 O4 -","4","1","","Wagler, Jörg; Hill, Anthony F.","7-Azaindol-7-ylborate: A Novel Bidentate N^BH3Chelating Ligand","Organometallics","2008","27","10","2350","","10.1021/om700871p","","","0.71073","MoKα","","0.0659","0.0472","","","0.116","0.1245","","","","","","1.095","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070613","11.6962","0.0002","11.7252","0.0002","14.5351","0.0003","95.812","0.001","94.505","0.001","106.179","0.001","1892.63","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(7-azaindol-7-ylboranato)-trans-bis(triphenylphosphine)carbonylrhodium(I)","","- C44 H38 B N2 O P2 Rh -","- C44 H38 B N2 O P2 Rh -","- C88 H76 B2 N4 O2 P4 Rh2 -","2","1","","Wagler, Jörg; Hill, Anthony F.","7-Azaindol-7-ylborate: A Novel Bidentate N^BH3Chelating Ligand","Organometallics","2008","27","10","2350","","10.1021/om700871p","","","0.71073","MoKα","","0.0567","0.0367","","","0.0762","0.0813","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070614","10.5388","0.0001","12.5141","0.0002","15.3891","0.0002","95.952","0.001","95.274","0.001","101.739","0.001","1963.05","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(7-azaindol-7-ylboranato)-cis-bis(triphenylphosphine)rhodium(I) THF solvate","","- C47 H46 B N2 O P2 Rh -","- C47 H46 B N2 O P2 Rh -","- C94 H92 B2 N4 O2 P4 Rh2 -","2","1","","Wagler, Jörg; Hill, Anthony F.","7-Azaindol-7-ylborate: A Novel Bidentate N^BH3Chelating Ligand","Organometallics","2008","27","10","2350","","10.1021/om700871p","","","0.71073","MoKα","","0.0395","0.0298","","","0.0704","0.0734","","","","","","1.061","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070615","9.4514","0.0001","13.0932","0.0002","17.4539","0.0001","90","","95.338","0.001","90","","2150.54","0.04","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 N12 O12 Re4 -","- C36 H32 N12 O12 Re4 -","- C72 H64 N24 O24 Re8 -","2","0.5","","Wu, Jing-Yun; Thanasekaran, P.; Cheng, Yi-Wei; Lee, Chung-Chou; Manimaran, B.; Rajendran, T.; Liao, Rong-Tang; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh","Unprecedented Reduction of 2,2′-Bipyrimidine in a One-Pot Synthesis of Neutral Rhenium(I)-Based Molecular Rectangles","Organometallics","2008","27","9","2141","","10.1021/om700873x","","","0.71073","MoKα","","0.0602","0.039","","0.0685","0.064","","","","1.069","1.116","1.116","","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070616","9.9044","0.0005","15.6627","0.0008","17.5653","0.0009","90","","103.424","0.001","90","","2650.5","0.2","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H40 N12 O12 Re4 -","- C48 H40 N12 O12 Re4 -","- C96 H80 N24 O24 Re8 -","2","0.5","","Wu, Jing-Yun; Thanasekaran, P.; Cheng, Yi-Wei; Lee, Chung-Chou; Manimaran, B.; Rajendran, T.; Liao, Rong-Tang; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh","Unprecedented Reduction of 2,2′-Bipyrimidine in a One-Pot Synthesis of Neutral Rhenium(I)-Based Molecular Rectangles","Organometallics","2008","27","9","2141","","10.1021/om700873x","","","0.71073","MoKα","","0.0891","0.0649","","","0.128","0.1376","","","","","","1.188","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070617","12.0644","0.0004","14.0753","0.0004","11.8832","0.0004","90","","90","","90","","2017.89","0.11","295","2","295","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H12 N4 O8 Re2 -","- C16 H12 N4 O8 Re2 -","- C64 H48 N16 O32 Re8 -","4","0.5","","Wu, Jing-Yun; Thanasekaran, P.; Cheng, Yi-Wei; Lee, Chung-Chou; Manimaran, B.; Rajendran, T.; Liao, Rong-Tang; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh","Unprecedented Reduction of 2,2′-Bipyrimidine in a One-Pot Synthesis of Neutral Rhenium(I)-Based Molecular Rectangles","Organometallics","2008","27","9","2141","","10.1021/om700873x","","","0.71073","MoKα","","0.0336","0.0206","","","0.0465","0.0491","","","","","","1.011","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070618","20.425","0.0008","15.508","0.0007","11.904","0.0006","90","","103.913","0.0016","90","","3660","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 Cl4 N2 Ni2 P2 -","- C38 H36 Cl4 N2 Ni2 P2 -","- C152 H144 Cl16 N8 Ni8 P8 -","4","0.5","","Kermagoret, Anthony; Braunstein, Pierre","Mono- and Dinuclear Nickel Complexes with Phosphino-, Phosphinito-, and Phosphonitopyridine Ligands: Synthesis, Structures, and Catalytic Oligomerization of Ethylene","Organometallics","2008","27","1","88","","10.1021/om7008759","","","0.71073","MoKα","","0.148","0.0963","","","0.1061","0.1158","","","","","","1.209","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070619","8.877","0.0003","17.116","0.0006","12.018","0.0005","90","","102.727","0.0012","90","","1781.14","0.11","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Cl2 N Ni O P -","- C14 H24 Cl2 N Ni O P -","- C56 H96 Cl8 N4 Ni4 O4 P4 -","4","1","","Kermagoret, Anthony; Braunstein, Pierre","Mono- and Dinuclear Nickel Complexes with Phosphino-, Phosphinito-, and Phosphonitopyridine Ligands: Synthesis, Structures, and Catalytic Oligomerization of Ethylene","Organometallics","2008","27","1","88","","10.1021/om7008759","","","0.71073","MoKα","","0.1207","0.0825","","","0.1085","0.1169","","","","","","1.188","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070620","14.3067","0.0013","13.3228","0.001","13.0886","0.0011","90","","91.665","0.01","90","","2493.7","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 B N7 O Ru S3 -","- C17.994 H23.982 B N7 O Ru S3 -","- C71.976 H95.928 B4 N28 O4 Ru4 S12 -","4","1","","Crossley, Ian R.; Foreman, Mark R. St.-J.; Hill, Anthony F.; Owen, Gareth R.; White, Andrew J. P.; Williams, David J.; Willis, Anthony C.","Synthesis of the Ruthenaboratranes [Ru(CS)(PPh3){B(mt)3}](Ru\ρightarrow B)8and [Ru(CO)(CNR){B(mt)3}](Ru→B)8(mt = methimazolyl, R =tBu, C6H3Me2-2,6, C6H2Me3-2,4,6)","Organometallics","2008","27","3","381","","10.1021/om7008777","","","1.54178","CuKα","","0.0812","0.0571","","","0.1411","0.1526","","","","","","1.013","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070621","25.124","0.0006","13.124","0.0002","16.4268","0.0003","90","","90","","90","","5416.37","0.18","200","","200","","","","","","","","?","7","I b a 2","I 2 -2c","45","","","","- C23 H26 B N7 O Ru S3 -","- C23 H26 B N7 O Ru S3 -","- C184 H208 B8 N56 O8 Ru8 S24 -","8","1","","Crossley, Ian R.; Foreman, Mark R. St.-J.; Hill, Anthony F.; Owen, Gareth R.; White, Andrew J. P.; Williams, David J.; Willis, Anthony C.","Synthesis of the Ruthenaboratranes [Ru(CS)(PPh3){B(mt)3}](Ru\ρightarrow B)8and [Ru(CO)(CNR){B(mt)3}](Ru→B)8(mt = methimazolyl, R =tBu, C6H3Me2-2,6, C6H2Me3-2,4,6)","Organometallics","2008","27","3","381","","10.1021/om7008777","","","0.71073","MoKα","","0.0376","0.0268","","0.0317","0.0266","0.0266","","","","","","1.0898","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070622","11.9019","0.0009","13.3665","0.0006","14.9119","0.0008","68.943","0.004","74.221","0.006","81.936","0.004","2128.1","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H32 B Cl6 N6 P Ru S4 -","- C32.999 H31.999 B Cl5.997 N6 P Ru S4 -","- C65.998 H63.998 B2 Cl11.994 N12 P2 Ru2 S8 -","2","1","","Crossley, Ian R.; Foreman, Mark R. St.-J.; Hill, Anthony F.; Owen, Gareth R.; White, Andrew J. P.; Williams, David J.; Willis, Anthony C.","Synthesis of the Ruthenaboratranes [Ru(CS)(PPh3){B(mt)3}](Ru\ρightarrow B)8and [Ru(CO)(CNR){B(mt)3}](Ru→B)8(mt = methimazolyl, R =tBu, C6H3Me2-2,6, C6H2Me3-2,4,6)","Organometallics","2008","27","3","381","","10.1021/om7008777","","","1.54178","CuKα","","0.0578","0.0491","","","0.127","0.1319","","","","","","1.014","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070623","10.892","0.003","16.012","0.004","18.471","0.005","90","","100.392","0.005","90","","3168.6","1.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H48 N8 Zr2 -","- C30 H48 N8 Zr2 -","- C120 H192 N32 Zr8 -","4","1","","Majumder, Supriyo; Odom, Aaron L.","Group-4 Dipyrrolylmethane Complexes in Intramolecular Olefin Hydroamination","Organometallics","2008","27","6","1174","","10.1021/om700883a","","","0.71073","MoKα","","0.0437","0.0349","","","0.0905","0.0947","","","","","","1.045","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070624","21.7527","0.0012","11.3266","0.0007","21.7446","0.0011","90","","118.717","0.003","90","","4698.6","0.5","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 Fe Si2 -","- C22 H38 Fe Si2 -","- C176 H304 Fe8 Si16 -","8","2","","Chong, Daesung; Geiger, William E.; Davis, Nathan A.; Weisbrich, Anke; Shi, Yifan; Arif, Atta M.; Ernst, Richard D.","Synthetic, Structural, and Electrochemical Studies of Edge-Bridged Open Ferrocenes","Organometallics","2008","27","3","430","","10.1021/om700886k","","","0.71073","MoKα","","0.1023","0.0468","","","0.0897","0.1117","","","","","","1.03","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070625","9.9956","0.0002","11.2121","0.0003","17.1629","0.0004","94.629","0.001","95.3399","0.0013","115.613","0.0013","1711.2","0.07","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H62 Fe Si2 -","- C34 H62 Fe Si2 -","- C68 H124 Fe2 Si4 -","2","1","","Chong, Daesung; Geiger, William E.; Davis, Nathan A.; Weisbrich, Anke; Shi, Yifan; Arif, Atta M.; Ernst, Richard D.","Synthetic, Structural, and Electrochemical Studies of Edge-Bridged Open Ferrocenes","Organometallics","2008","27","3","430","","10.1021/om700886k","","","0.71073","MoKα","","0.0523","0.0407","","","0.0972","0.1058","","","","","","1.04","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070626","7.7101","0.0002","59.1719","0.0019","15.7478","0.0005","90","","102.131","0.001","90","","7024.1","0.4","150","1","150","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 Fe -","- C20 H30 Fe -","- C320 H480 Fe16 -","16","4","","Chong, Daesung; Geiger, William E.; Davis, Nathan A.; Weisbrich, Anke; Shi, Yifan; Arif, Atta M.; Ernst, Richard D.","Synthetic, Structural, and Electrochemical Studies of Edge-Bridged Open Ferrocenes","Organometallics","2008","27","3","430","","10.1021/om700886k","","","0.71073","MoKα","","0.1442","0.0834","","","0.2054","0.2612","","","","","","1.063","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070627","10.3336","0.0005","11.8386","0.0006","18.0531","0.001","90","","106.042","0.001","90","","2122.53","0.19","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis[bis-(2,3,4-trifluorobenzoato-O,O')-penta(carbonyl)- diruthenium(I,I)]","","- C38 H8 F12 O18 Ru4 -","- C38 H8 F12 O18 Ru4 -","- C76 H16 F24 O36 Ru8 -","2","0.5","","Sevryugina, Yulia; Weaver, Beth; Hansen, Jørn; Thompson, Janelle; Davies, Huw M. L.; Petrukhina, Marina A.","Influence of Electron-Deficient Ruthenium(I) Carbonyl Carboxylates on the Vinylogous Reactivity of Metal Carbenoids","Organometallics","2008","27","8","1750","","10.1021/om700888f","","","0.71073","MoKα","","0.0221","0.0207","","","0.0502","0.0507","","","","","","1.111","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070628","10.2883","0.0005","15.4363","0.0008","14.0317","0.0007","90","","110.34","0.001","90","","2089.47","0.18","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis[bis-(2,4,6-trifluorobenzoato-O,O')-penta(carbonyl)- diruthenium(I,I)]","","- C38 H8 F12 O18 Ru4 -","- C38 H8 F12 O18 Ru4 -","- C76 H16 F24 O36 Ru8 -","2","0.5","","Sevryugina, Yulia; Weaver, Beth; Hansen, Jørn; Thompson, Janelle; Davies, Huw M. L.; Petrukhina, Marina A.","Influence of Electron-Deficient Ruthenium(I) Carbonyl Carboxylates on the Vinylogous Reactivity of Metal Carbenoids","Organometallics","2008","27","8","1750","","10.1021/om700888f","","","0.71073","MoKα","","0.0254","0.0219","","","0.0532","0.0546","","","","","","1.048","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070629","9.6158","0.001","10.5643","0.0011","11.7591","0.0012","112.876","0.001","95.196","0.002","91.192","0.002","1094","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","bis[bis-(pentafluorobenzoato-O,O')-penta(carbonyl)- diruthenium(I,I)]","","- C38 F20 O18 Ru4 -","- C38 F20 O18 Ru4 -","- C38 F20 O18 Ru4 -","1","0.5","","Sevryugina, Yulia; Weaver, Beth; Hansen, Jørn; Thompson, Janelle; Davies, Huw M. L.; Petrukhina, Marina A.","Influence of Electron-Deficient Ruthenium(I) Carbonyl Carboxylates on the Vinylogous Reactivity of Metal Carbenoids","Organometallics","2008","27","8","1750","","10.1021/om700888f","","","0.71073","MoKα","","0.0475","0.0438","","","0.113","0.1169","","","","","","1.061","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070630","9.6393","0.0007","11.3055","0.0008","14.1228","0.001","72.102","0.001","73.861","0.001","67.004","0.001","1326.11","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","catena[bis(3,5-bis(trifluoromethyl)benzoato-O,O')- tetra(carbonyl)-diruthenium(I,I)]","","- C22 H6 F12 O8 Ru2 -","- C22 H6 F12 O8 Ru2 -","- C44 H12 F24 O16 Ru4 -","2","1","","Sevryugina, Yulia; Weaver, Beth; Hansen, Jørn; Thompson, Janelle; Davies, Huw M. L.; Petrukhina, Marina A.","Influence of Electron-Deficient Ruthenium(I) Carbonyl Carboxylates on the Vinylogous Reactivity of Metal Carbenoids","Organometallics","2008","27","8","1750","","10.1021/om700888f","","","0.71073","MoKα","","0.0673","0.0461","","","0.1003","0.1095","","","","","","1.023","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070631","11.5905","0.0007","11.9241","0.0007","13.0024","0.0008","76.263","0.001","73.727","0.001","77.817","0.001","1655.44","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","bis(3,5-bis(trifluoromethyl)benzoato-O,O')- penta(carbonyl)-(eta2-toluene)-diruthenium(I,I)","","- C30 H14 F12 O9 Ru2 -","- C30 H14 F12 O9 Ru2 -","- C60 H28 F24 O18 Ru4 -","2","1","","Sevryugina, Yulia; Weaver, Beth; Hansen, Jørn; Thompson, Janelle; Davies, Huw M. L.; Petrukhina, Marina A.","Influence of Electron-Deficient Ruthenium(I) Carbonyl Carboxylates on the Vinylogous Reactivity of Metal Carbenoids","Organometallics","2008","27","8","1750","","10.1021/om700888f","","","0.71073","MoKα","","0.0654","0.0441","","","0.1035","0.1155","","","","","","1.007","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4070632","12.6491","0.0005","8.7326","0.0003","13.626","0.0005","90","","99.274","0.001","90","","1485.45","0.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis(trifluoroacetato-O,O')-tetra(carbonyl)- bis(water)-diruthenium(I,I)","","- C8 H4 F6 O10 Ru2 -","- C8 H4 F6 O10 Ru2 -","- C32 H16 F24 O40 Ru8 -","4","1","","Sevryugina, Yulia; Weaver, Beth; Hansen, Jørn; Thompson, Janelle; Davies, Huw M. L.; Petrukhina, Marina A.","Influence of Electron-Deficient Ruthenium(I) Carbonyl Carboxylates on the Vinylogous Reactivity of Metal Carbenoids","Organometallics","2008","27","8","1750","","10.1021/om700888f","","","0.71073","MoKα","","0.0183","0.0177","","","0.0444","0.0449","","","","","","1.075","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070633","10.967","0.002","11.242","0.003","26.084","0.007","85.594","0.004","78.046","0.004","61.295","0.003","2758.6","1.2","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H84 La2 N6 Si12 -","- C24 H84 La2 N6 Si12 -","- C48 H168 La4 N12 Si24 -","2","1","","Yuen, Holming F.; Marks, Tobin J.","Synthesis and Catalytic Properties of Phenylene-Bridged Binuclear Organolanthanide Complexes","Organometallics","2008","27","2","155","","10.1021/om7008952","","","0.71073","MoKα","","0.0662","0.057","","","0.1406","0.1449","","","","","","1.104","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070634","9.708","0.003","14.996","0.004","17.847","0.005","79.35","0.007","87.704","0.01","81.536","0.007","2525.4","1.3","103","2","103","2","","","","","","","","3","P -1","-P 1","2","HSiSi","","","- C39 H80 Si8 -","- C39 H80 Si8 -","- C78 H160 Si16 -","2","1","","Kajiwara, Takashi; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","Synthesis of Alkali Metal Salts of Borylsilyl Anions Utilizing Highly Crowded Silylboranes and Their Properties#","Organometallics","2008","27","5","880","","10.1021/om7008974","","","0.7107","MoKα","","0.1108","0.0948","","","0.2593","0.2775","","","","","","1.065","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070635","12.189","0.004","13.204","0.005","19.744","0.007","79.858","0.014","72.051","0.013","78.938","0.016","2943.5","1.8","103","2","103","2","","","","","","","","5","P -1","-P 1","2","SiB2pin2","","","- C48 H94 B2 O4 Si7 -","- C48 H94 B2 O4 Si7 -","- C96 H188 B4 O8 Si14 -","2","1","","Kajiwara, Takashi; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","Synthesis of Alkali Metal Salts of Borylsilyl Anions Utilizing Highly Crowded Silylboranes and Their Properties#","Organometallics","2008","27","5","880","","10.1021/om7008974","","","0.7107","MoKα","","0.0709","0.0523","","","0.1113","0.1221","","","","","","1.075","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070636","13.1","0.007","20.193","0.01","24.014","0.011","65.154","0.012","78.169","0.012","88.869","0.018","5626","5","103","2","103","2","","","","","","","","5","P -1","-P 1","2","BSiTMS","","","- C45 H91 B O2 Si8 -","- C45 H91 B O2 Si8 -","- C180 H364 B4 O8 Si32 -","4","2","","Kajiwara, Takashi; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","Synthesis of Alkali Metal Salts of Borylsilyl Anions Utilizing Highly Crowded Silylboranes and Their Properties#","Organometallics","2008","27","5","880","","10.1021/om7008974","","","0.7107","MoKα","","0.0772","0.0605","","","0.1368","0.1475","","","","","","1.079","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4070637","9.22","0.006","12.874","0.008","23.73","0.014","100.332","0.006","92.284","0.009","108.119","0.012","2620","3","103","2","103","2","","","","","","","","5","P -1","-P 1","2","MeSiB","","","- C43 H85 B O2 Si7 -","- C43 H85 B O2 Si7 -","- C86 H170 B2 O4 Si14 -","2","1","","Kajiwara, Takashi; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","Synthesis of Alkali Metal Salts of Borylsilyl Anions Utilizing Highly Crowded Silylboranes and Their Properties#","Organometallics","2008","27","5","880","","10.1021/om7008974","","","0.7107","MoKα","","0.1068","0.079","","","0.1916","0.2138","","","","","","1.071","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070638","11.384","0.004","13.277","0.005","15.422","0.005","79.505","0.009","80.473","0.009","87.062","0.009","2259.8","1.4","103","2","103","2","","","","","","","","3","P -1","-P 1","2","SiHMe","","","- C37 H74 Si7 -","- C37 H74 Si7 -","- C74 H148 Si14 -","2","1","","Kajiwara, Takashi; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","Synthesis of Alkali Metal Salts of Borylsilyl Anions Utilizing Highly Crowded Silylboranes and Their Properties#","Organometallics","2008","27","5","880","","10.1021/om7008974","","","0.7107","MoKα","","0.1032","0.0854","","","0.2045","0.2193","","","","","","1.065","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070639","35.738","0.019","13.262","0.006","22.777","0.012","90","","110.042","0.008","90","","10142","9","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","SiBpinOH","","","- C42 H83 B O2 Si7 -","- C42 H83 B O2 Si7 -","- C336 H664 B8 O16 Si56 -","8","1","","Kajiwara, Takashi; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","Synthesis of Alkali Metal Salts of Borylsilyl Anions Utilizing Highly Crowded Silylboranes and Their Properties#","Organometallics","2008","27","5","880","","10.1021/om7008974","","","0.7107","MoKα","","0.1164","0.0859","","","0.1659","0.1804","","","","","","1.149","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070640","8.483","0.005","9.652","0.005","10.57","0.007","81.832","0.012","66.426","0.007","74.004","0.009","762","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C38 H40 N4 -","- C38 H40 N4 -","- C38 H40 N4 -","1","0.5","","Huang, Yuan-Biao; Tang, Guang-Rong; Jin, Gui-Ying; Jin, Guo-Xin","Binuclear Nickel and Copper Complexes with Bridging 2,5-Diamino-1,4-benzoquinonediimines: Synthesis, Structures, and Catalytic Olefin Polymerization","Organometallics","2008","27","2","259","","10.1021/om700901x","","","0.71073","MoKα","","0.141","0.0877","","","0.2175","0.2351","","","","","","1.207","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070641","23.63","0.03","7.308","0.009","16.31","0.02","90","","128.656","0.017","90","","2199","5","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C44 H48 N4 Ni2 O6 -","- C44 H50 N4 Ni2 O6 -","- C88 H100 N8 Ni4 O12 -","2","0.25","","Huang, Yuan-Biao; Tang, Guang-Rong; Jin, Gui-Ying; Jin, Guo-Xin","Binuclear Nickel and Copper Complexes with Bridging 2,5-Diamino-1,4-benzoquinonediimines: Synthesis, Structures, and Catalytic Olefin Polymerization","Organometallics","2008","27","2","259","","10.1021/om700901x","","","0.71073","MoKα","","0.2626","0.1341","","","0.3082","0.3778","","","","","","0.975","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070642","7.651","0.002","11.783","0.003","13.848","0.004","114.862","0.004","99.241","0.005","90.263","0.005","1114.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 N4 Ni2 O4 -","- C48 H52 N4 Ni2 O4 -","- C48 H52 N4 Ni2 O4 -","1","0.5","","Huang, Yuan-Biao; Tang, Guang-Rong; Jin, Gui-Ying; Jin, Guo-Xin","Binuclear Nickel and Copper Complexes with Bridging 2,5-Diamino-1,4-benzoquinonediimines: Synthesis, Structures, and Catalytic Olefin Polymerization","Organometallics","2008","27","2","259","","10.1021/om700901x","","","0.71073","MoKα","","0.1081","0.0663","","","0.1446","0.1627","","","","","","0.992","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070643","7.688","0.003","11.813","0.005","13.804","0.005","114.828","0.006","99.704","0.006","90.174","0.006","1117.7","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H52 Cu2 N4 O4 -","- C48 H52 Cu2 N4 O4 -","- C48 H52 Cu2 N4 O4 -","1","0.5","","Huang, Yuan-Biao; Tang, Guang-Rong; Jin, Gui-Ying; Jin, Guo-Xin","Binuclear Nickel and Copper Complexes with Bridging 2,5-Diamino-1,4-benzoquinonediimines: Synthesis, Structures, and Catalytic Olefin Polymerization","Organometallics","2008","27","2","259","","10.1021/om700901x","","","0.71073","MoKα","","0.0967","0.0533","","","0.12","0.1437","","","","","","0.986","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070644","28.4062","0.0013","7.6114","0.0003","22.3725","0.001","90","","98.73","0.003","90","","4781.1","0.4","173","","173","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C20 H22 F3 N O8 S W -","- C20 H22 F3 N O8 S W -","- C160 H176 F24 N8 O64 S8 W8 -","8","1","","Jackson, Andrew B.; Khosla, Chetna; Gaskins, Helen E.; White, Peter S.; Templeton, Joseph L.","Reduction of π-Bound Nitriles to π-Bound Imines in a Tungsten(II) Bis(acetylacetonate) Coordination Sphere","Organometallics","2008","27","6","1322","","10.1021/om7009039","","","0.71073","MolybdenumKα","","0.056","0.04","","0.044","","0.042","","","","","","1.94","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070645","8.3192","0.0003","14.2955","0.0004","17.0591","0.0006","90","","92.92","","90","","2026.16","0.12","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O5 W -","- C20 H25 N O5 W -","- C80 H100 N4 O20 W4 -","4","1","","Jackson, Andrew B.; Khosla, Chetna; Gaskins, Helen E.; White, Peter S.; Templeton, Joseph L.","Reduction of π-Bound Nitriles to π-Bound Imines in a Tungsten(II) Bis(acetylacetonate) Coordination Sphere","Organometallics","2008","27","6","1322","","10.1021/om7009039","","","0.71073","MoKα","","0.053","0.0394","","","0.1014","0.1065","","","","","","1.004","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070646","13.668","0.014","8.401","0.009","12.406","0.013","90","","96.961","0.013","90","","1414","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H8 Cu2 N2 O5 -","- C13 H8 Cu2 N2 O5 -","- C52 H32 Cu8 N8 O20 -","4","0.5","","Takahashi, Yoshiteru; Tsutsumi, Ken; Nakagai, Yuzo; Morimoto, Tsumoru; Kakiuchi, Kiyomi; Ogoshi, Sensuke; Kurosawa, Hideo","Mono- and Dipalladium Movement on the π-Conjugated Five-Carbon Chain","Organometallics","2008","27","2","276","","10.1021/om700909k","","","0.71073","MoKα","","0.0665","0.0381","","","0.0859","0.1011","","","","","","1.04","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070647","9.161","0.004","15.238","0.006","18.554","0.009","94.636","0.018","97.931","0.018","91.766","0.015","2555","2","296.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C49 H51 Cl P2 Pd2 Si -","- C49 H51 Cl P2 Pd2 Si -","- C98 H102 Cl2 P4 Pd4 Si2 -","2","1","","Takahashi, Yoshiteru; Tsutsumi, Ken; Nakagai, Yuzo; Morimoto, Tsumoru; Kakiuchi, Kiyomi; Ogoshi, Sensuke; Kurosawa, Hideo","Mono- and Dipalladium Movement on the π-Conjugated Five-Carbon Chain","Organometallics","2008","27","2","276","","10.1021/om700909k","","","0.71075","MoKα","","","0.0775","","","","0.0652","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070648","10.0469","0.0004","10.6781","0.0004","13.1309","0.0005","76.667","0.002","68.524","0.002","68.91","0.002","1215.14","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 Au N2 P -","- C30 H22 Au N2 P -","- C60 H44 Au2 N4 P2 -","2","1","","Vicente, José; Gil-Rubio, Juan; Barquero, Natalia; Jones, Peter G.; Bautista, Delia","Synthesis of Luminescent Alkynyl Gold Metalaligands Containing 2,2′-Bipyridine-5-yl and 2,2′:6′,2′′-Terpyridine-4-yl Donor Groups","Organometallics","2008","27","4","646","","10.1021/om7009123","","","0.71073","MoKα","","0.0264","0.0255","","","0.058","0.0585","","","","","","1.122","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070649","8.6401","0.0004","9.4232","0.0004","19.5947","0.0008","85.165","0.002","86.406","0.002","85.237","0.002","1581.69","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H29 Au N3 P -","- C41 H29 Au N3 P -","- C82 H58 Au2 N6 P2 -","2","1","","Vicente, José; Gil-Rubio, Juan; Barquero, Natalia; Jones, Peter G.; Bautista, Delia","Synthesis of Luminescent Alkynyl Gold Metalaligands Containing 2,2′-Bipyridine-5-yl and 2,2′:6′,2′′-Terpyridine-4-yl Donor Groups","Organometallics","2008","27","4","646","","10.1021/om7009123","","","0.71073","MoKα","","0.0152","0.0147","","","0.0368","0.037","","","","","","1.088","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070650","15.8653","0.0011","14.342","0.0008","22.9292","0.0014","90","","104.006","0.004","90","","5062.2","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H46 Au2 Cl4 N4 P2 -","- C54 H46 Au2 Cl4 N4 P2 -","- C216 H184 Au8 Cl16 N16 P8 -","4","1","","Vicente, José; Gil-Rubio, Juan; Barquero, Natalia; Jones, Peter G.; Bautista, Delia","Synthesis of Luminescent Alkynyl Gold Metalaligands Containing 2,2′-Bipyridine-5-yl and 2,2′:6′,2′′-Terpyridine-4-yl Donor Groups","Organometallics","2008","27","4","646","","10.1021/om7009123","","","0.71073","MoKα","","0.0787","0.0369","","","0.0773","0.0961","","","","","","1.034","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070651","13.552","0.0014","14.052","0.0016","15.189","0.0016","69.737","0.005","66.133","0.005","66.901","0.005","2371.8","0.5","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H47 Au2 N4 O0.5 P2 -","- C52 H42 Au2 N4 P2 -","- C104 H84 Au4 N8 P4 -","2","1","","Vicente, José; Gil-Rubio, Juan; Barquero, Natalia; Jones, Peter G.; Bautista, Delia","Synthesis of Luminescent Alkynyl Gold Metalaligands Containing 2,2′-Bipyridine-5-yl and 2,2′:6′,2′′-Terpyridine-4-yl Donor Groups","Organometallics","2008","27","4","646","","10.1021/om7009123","","","0.71073","MoKα","","0.0917","0.0478","","","0.0819","0.0868","","","","","","0.847","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070652","13.0631","0.0006","15.8893","0.0008","20.2091","0.0008","104.761","0.004","93.429","0.004","90.574","0.004","4047.6","0.3","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C98 H72 Au4 N8 P4 -","- C98 H72 Au4 N8 P4 -","- C196 H144 Au8 N16 P8 -","2","1","","Vicente, José; Gil-Rubio, Juan; Barquero, Natalia; Jones, Peter G.; Bautista, Delia","Synthesis of Luminescent Alkynyl Gold Metalaligands Containing 2,2′-Bipyridine-5-yl and 2,2′:6′,2′′-Terpyridine-4-yl Donor Groups","Organometallics","2008","27","4","646","","10.1021/om7009123","","","0.71073","MoKα","","0.0721","0.0398","","","0.0857","0.1004","","","","","","1.037","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070653","25.492","0.003","12.3916","0.0012","15.1409","0.0015","90","","103.802","0.002","90","","4644.7","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C60 H44 Au N5 P2 -","- C60 H44 Au N5 P2 -","- C240 H176 Au4 N20 P8 -","4","0.5","","Vicente, José; Gil-Rubio, Juan; Barquero, Natalia; Jones, Peter G.; Bautista, Delia","Synthesis of Luminescent Alkynyl Gold Metalaligands Containing 2,2′-Bipyridine-5-yl and 2,2′:6′,2′′-Terpyridine-4-yl Donor Groups","Organometallics","2008","27","4","646","","10.1021/om7009123","","","0.71073","MoKα","","0.0389","0.0372","","","0.0802","0.0808","","","","","","1.254","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070654","11.5992","0.0009","21.2974","0.0015","20.5979","0.0015","90","","93.886","0.003","90","","5076.7","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H80 Fe Li N5 O3 -","- C52 H80 Fe Li N5 O3 -","- C208 H320 Fe4 Li4 N20 O12 -","4","1","","Fernández, Ignacio; Trovitch, Ryan J.; Lobkovsky, Emil; Chirik, Paul J.","Synthesis of Bis(imino)pyridine Iron Di- and Monoalkyl Complexes: Stability Differences between FeCH2SiMe3and FeCH2CMe3Derivatives","Organometallics","2008","27","1","109","","10.1021/om700913g","","","0.71073","MoKα","","0.0785","0.0597","","","0.1399","0.1502","","","","","","1.054","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070655","8.9994","0.0005","14.7098","0.0009","17.5144","0.0011","87.111","0.003","83.529","0.004","76.58","0.003","2240.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H48 Cl Fe N4 -","- C38 H48 Cl Fe N4 -","- C76 H96 Cl2 Fe2 N8 -","2","1","","Fernández, Ignacio; Trovitch, Ryan J.; Lobkovsky, Emil; Chirik, Paul J.","Synthesis of Bis(imino)pyridine Iron Di- and Monoalkyl Complexes: Stability Differences between FeCH2SiMe3and FeCH2CMe3Derivatives","Organometallics","2008","27","1","109","","10.1021/om700913g","","","0.71073","MoKα","","0.0711","0.0532","","","0.1427","0.1502","","","","","","1.012","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070656","32.313","0.005","9.3004","0.0013","22.451","0.004","90","","90","","90","","6747.1","1.9","133","2","133","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C34 H46 Fe N3 -","- C34 H46 Fe N3 -","- C272 H368 Fe8 N24 -","8","1","","Fernández, Ignacio; Trovitch, Ryan J.; Lobkovsky, Emil; Chirik, Paul J.","Synthesis of Bis(imino)pyridine Iron Di- and Monoalkyl Complexes: Stability Differences between FeCH2SiMe3and FeCH2CMe3Derivatives","Organometallics","2008","27","1","109","","10.1021/om700913g","","","0.71073","MoKα","","0.1057","0.0794","","","0.206","0.2215","","","","","","1.052","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070657","15.4995","0.0008","19.5284","0.0009","24.9868","0.0012","90","","90","","90","","7563","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H57 Fe N3 Si2 -","- C37 H57 Fe N3 Si2 -","- C296 H456 Fe8 N24 Si16 -","8","1","","Fernández, Ignacio; Trovitch, Ryan J.; Lobkovsky, Emil; Chirik, Paul J.","Synthesis of Bis(imino)pyridine Iron Di- and Monoalkyl Complexes: Stability Differences between FeCH2SiMe3and FeCH2CMe3Derivatives","Organometallics","2008","27","1","109","","10.1021/om700913g","","","0.71073","MoKα","","0.0667","0.0435","","","0.1047","0.1166","","","","","","1.019","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070658","11.3974","0.0005","12.4327","0.0005","12.4651","0.0005","96.722","0.002","115.82","0.002","90.816","0.002","1574.84","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H46 Fe N3 Si -","- C33 H46 Fe N3 Si -","- C66 H92 Fe2 N6 Si2 -","2","1","","Fernández, Ignacio; Trovitch, Ryan J.; Lobkovsky, Emil; Chirik, Paul J.","Synthesis of Bis(imino)pyridine Iron Di- and Monoalkyl Complexes: Stability Differences between FeCH2SiMe3and FeCH2CMe3Derivatives","Organometallics","2008","27","1","109","","10.1021/om700913g","","","0.71073","MoKα","","0.0624","0.0369","","","0.0884","0.104","","","","","","1.054","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070659","18.3091","0.0012","19.9442","0.0013","19.2586","0.0012","90","","91.1091","0.0009","90","","7031.2","0.8","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 F3 N2 O3 P Ru S -","- C36 H40 F3 N2 O3 P Ru S -","- C288 H320 F24 N16 O24 P8 Ru8 S8 -","8","2","","Lundgren, Rylan J.; Rankin, Matthew A.; McDonald, Robert; Stradiotto, Mark","Neutral, Cationic, and Zwitterionic Ruthenium(II) Atom Transfer Radical Addition Catalysts Supported by P,N-Substituted Indene or Indenide Ligands","Organometallics","2008","27","2","254","","10.1021/om700914k","","","0.71073","MoKα","","0.0656","0.0414","","","0.0932","0.105","","","","","","1.042","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070660","9.258","0.0001","16.667","0.0002","29.194","0.0003","90","","90","","90","","4504.72","0.09","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H32 N4 O3 Ru -","- C21 H32 N4 O3 Ru -","- C168 H256 N32 O24 Ru8 -","8","1","","Ellul, Charles E.; Saker, Olly; Mahon, Mary F.; Apperley, David C.; Whittlesey, Michael K.","Cleavage of Ru3(CO)12by N-Heterocyclic Carbenes: Isolation ofcis- andtrans-Ru(NHC)2(CO)3and Reaction with O2To Form Ru(NHC)2(CO)2(CO3)","Organometallics","2008","27","1","100","","10.1021/om700915t","","","0.71073","MoKα","","0.0763","0.0386","","","0.084","0.098","","","","","","1.031","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070661","16.519","0.0002","10.743","0.0002","17.38","0.0002","90","","114.699","0.001","90","","2802.15","0.07","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H40 N4 O4 Ru -","- C25 H40 N4 O4 Ru -","- C100 H160 N16 O16 Ru4 -","4","1","","Ellul, Charles E.; Saker, Olly; Mahon, Mary F.; Apperley, David C.; Whittlesey, Michael K.","Cleavage of Ru3(CO)12by N-Heterocyclic Carbenes: Isolation ofcis- andtrans-Ru(NHC)2(CO)3and Reaction with O2To Form Ru(NHC)2(CO)2(CO3)","Organometallics","2008","27","1","100","","10.1021/om700915t","","","0.71073","MoKα","","0.0692","0.0369","","","0.0777","0.0895","","","","","","1.037","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070662","10.634","0.0001","12.053","0.0002","11.28","0.0002","90","","110.466","0.001","90","","1354.52","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H40 N4 O3 Ru -","- C25 H40 N4 O3 Ru -","- C50 H80 N8 O6 Ru2 -","2","1","","Ellul, Charles E.; Saker, Olly; Mahon, Mary F.; Apperley, David C.; Whittlesey, Michael K.","Cleavage of Ru3(CO)12by N-Heterocyclic Carbenes: Isolation ofcis- andtrans-Ru(NHC)2(CO)3and Reaction with O2To Form Ru(NHC)2(CO)2(CO3)","Organometallics","2008","27","1","100","","10.1021/om700915t","","","0.71073","MoKα","","0.0304","0.0254","","","0.0533","0.0551","","","","","","1.058","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070663","15.664","0.0001","9.659","0.0001","36.012","0.0003","90","","93.325","0.001","90","","5439.39","0.08","150","2","150","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C22 H35 Cl2 N4 O5.5 Ru -","- C22 H35 Cl2 N4 O5.5 Ru -","- C176 H280 Cl16 N32 O44 Ru8 -","8","2","","Ellul, Charles E.; Saker, Olly; Mahon, Mary F.; Apperley, David C.; Whittlesey, Michael K.","Cleavage of Ru3(CO)12 by N-Heterocyclic Carbenes: Isolation of cis- and trans-Ru(NHC)2(CO)3 and Reaction with O2To Form Ru(NHC)2(CO)2(CO3)","Organometallics","2008","27","1","100","","10.1021/om700915t","","","0.71073","MoKα","","0.0496","0.0313","","","0.0698","0.0764","","","","","","1.028","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070664","10.602","0.0002","12.062","0.0002","11.393","0.0002","90","","110.069","0.001","90","","1368.49","0.04","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H40 N4 O5 Ru -","- C50 H80 N8 O10 Ru2 -","- C50 H80 N8 O10 Ru2 -","1","0.5","","Ellul, Charles E.; Saker, Olly; Mahon, Mary F.; Apperley, David C.; Whittlesey, Michael K.","Cleavage of Ru3(CO)12by N-Heterocyclic Carbenes: Isolation ofcis- andtrans-Ru(NHC)2(CO)3and Reaction with O2To Form Ru(NHC)2(CO)2(CO3)","Organometallics","2008","27","1","100","","10.1021/om700915t","","","0.71073","MoKα","","0.0291","0.0249","","","0.0544","0.056","","","","","","1.079","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070665","10.236","0.0001","10.781","0.0001","25.187","0.0003","90","","92.132","0.001","90","","2777.57","0.05","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Cl2 N4 O5 Ru -","- C22 H34 Cl2 N4 O5 Ru -","- C88 H136 Cl8 N16 O20 Ru4 -","4","1","","Ellul, Charles E.; Saker, Olly; Mahon, Mary F.; Apperley, David C.; Whittlesey, Michael K.","Cleavage of Ru3(CO)12by N-Heterocyclic Carbenes: Isolation ofcis- andtrans-Ru(NHC)2(CO)3and Reaction with O2To Form Ru(NHC)2(CO)2(CO3)","Organometallics","2008","27","1","100","","10.1021/om700915t","","","0.71073","MoKα","","0.0447","0.039","","","0.087","0.0895","","","","","","1.174","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070666","11.39","0.0002","18.2","0.0002","16.438","0.0002","90","","98.313","0.001","90","","3371.76","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H53 N5 O5 Ru -","- C33 H53 N5 O5 Ru -","- C132 H212 N20 O20 Ru4 -","4","1","","Ellul, Charles E.; Saker, Olly; Mahon, Mary F.; Apperley, David C.; Whittlesey, Michael K.","Cleavage of Ru3(CO)12by N-Heterocyclic Carbenes: Isolation ofcis- andtrans-Ru(NHC)2(CO)3and Reaction with O2To Form Ru(NHC)2(CO)2(CO3)","Organometallics","2008","27","1","100","","10.1021/om700915t","","","0.71073","MoKα","","0.0563","0.0371","","","0.0819","0.0899","","","","","","1.046","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070667","17.277","0.001","9.771","0.0006","18.618","0.001","90","","94.561","0.001","90","","3133","0.3","100","1","100","1","","","","","","","see text","5","P 1 c 1","P -2yc","7","","","","- C62 H100 La2 N8 Si2 -","- C62 H100 La2 N8 Si2 -","- C124 H200 La4 N16 Si4 -","2","1","","Bambirra, Sergio; Perazzolo, Francesca; Boot, Steven J.; Sciarone, Timo J. J.; Meetsma, Auke; Hessen, Bart","Strategies for the Synthesis of Lanthanum Dialkyl Complexes with Monoanionic Ancillary Ligands","Organometallics","2008","27","4","704","","10.1021/om700919h","","","0.71073","MoKα","","0.0296","0.0283","","","0.0643","0.065","","","","","","0.972","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070668","12.0223","0.0009","38.554","0.003","18.699","0.001","90","","102.521","0.001","90","","8461","1","100","1","100","1","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H65 La N2 O -","- C47 H65 La N2 O -","- C376 H520 La8 N16 O8 -","8","2","","Bambirra, Sergio; Perazzolo, Francesca; Boot, Steven J.; Sciarone, Timo J. J.; Meetsma, Auke; Hessen, Bart","Strategies for the Synthesis of Lanthanum Dialkyl Complexes with Monoanionic Ancillary Ligands","Organometallics","2008","27","4","704","","10.1021/om700919h","","","0.71073","MoKα","","0.0627","0.0481","","","0.0944","0.0991","","","","","","1.12","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070669","21.148","0.001","17.242","0.001","18.497","0.001","90","","92.309","0.001","90","","6739.2","0.6","100","1","100","1","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C76 H102 B La N2 O4 -","- C76 H102 B La N2 O4 -","- C304 H408 B4 La4 N8 O16 -","4","1","","Bambirra, Sergio; Perazzolo, Francesca; Boot, Steven J.; Sciarone, Timo J. J.; Meetsma, Auke; Hessen, Bart","Strategies for the Synthesis of Lanthanum Dialkyl Complexes with Monoanionic Ancillary Ligands","Organometallics","2008","27","4","704","","10.1021/om700919h","","","0.71073","MoKα","","0.0713","0.0575","","","0.129","0.1341","","","","","","1.147","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070670","10.045","0.002","20.093","0.004","10.41","0.002","90","","91.951","0.003","90","","2099.9","0.7","100","1","100","1","","","","","","","see text","6","P 1 21/m 1","-P 2yb","11","","","","- C41 H65 Br2 La N2 O3 -","- C41 H65 Br2 La N2 O3 -","- C82 H130 Br4 La2 N4 O6 -","2","0.5","","Bambirra, Sergio; Perazzolo, Francesca; Boot, Steven J.; Sciarone, Timo J. J.; Meetsma, Auke; Hessen, Bart","Strategies for the Synthesis of Lanthanum Dialkyl Complexes with Monoanionic Ancillary Ligands","Organometallics","2008","27","4","704","","10.1021/om700919h","","","0.71073","MoKα","","0.0614","0.0464","","","0.1166","0.1271","","","","","","1.037","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070671","21.519","0.003","14.637","0.002","48.082","0.007","90","","96.458","0.002","90","","15048","4","100","1","100","1","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C79 H123 K La N4 O4 -","- C74 H112 K La N4 O4 -","- C592 H896 K8 La8 N32 O32 -","8","1","","Bambirra, Sergio; Perazzolo, Francesca; Boot, Steven J.; Sciarone, Timo J. J.; Meetsma, Auke; Hessen, Bart","Strategies for the Synthesis of Lanthanum Dialkyl Complexes with Monoanionic Ancillary Ligands","Organometallics","2008","27","4","704","","10.1021/om700919h","","","0.71073","MoKα","","0.1112","0.0911","","","0.1685","0.1753","","","","","","1.255","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070672","17.3322","0.0017","19.32","0.002","27.697","0.004","90","","90","","90","","9274.6","1.9","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C42 H76 Cl F6 P3 Pd2 -","- C42 H76 Cl F6 P3 Pd2 -","- C336 H608 Cl8 F48 P24 Pd16 -","8","1","","Szuromi, Endre; Shen, Han; Goodall, Brian L.; Jordan, Richard F.","Polymerization of Norbornene and Methyl Acrylate by a Bimetallic Palladium(II) Allyl Complex","Organometallics","2008","27","3","402","","10.1021/om700921f","","","0.71073","MoKα","","0.0782","0.0493","","","0.1114","0.1256","","","","","","1.024","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070673","15.268","0.002","17.585","0.002","20.729","0.003","90","","90","","90","","5565.5","1.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H39 N2 Ni O P -","- C28 H39 N2 Ni O P -","- C224 H312 N16 Ni8 O8 P8 -","8","1","","Boardman, Brycelyn M.; Valderrama, Juan M.; Muñoz, Flor; Wu, Guang; Bazan, Guillermo C.; Rojas, Rene","Remote Activation of Nickel Complexes by Coordination of B(C6F5)3to an Exocyclic Carbonitrile Functionality","Organometallics","2008","27","8","1671","","10.1021/om700933y","","","0.71073","MoKα","","0.1155","0.0628","","","0.1411","0.1628","","","","","","1.293","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070674","11.3232","0.0018","16.038","0.003","22.489","0.004","90","","104.101","0.004","90","","3961","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H30 B F15 N2 Ni O -","- C43 H30 B F15 N2 Ni O -","- C172 H120 B4 F60 N8 Ni4 O4 -","4","1","","Boardman, Brycelyn M.; Valderrama, Juan M.; Muñoz, Flor; Wu, Guang; Bazan, Guillermo C.; Rojas, Rene","Remote Activation of Nickel Complexes by Coordination of B(C6F5)3to an Exocyclic Carbonitrile Functionality","Organometallics","2008","27","8","1671","","10.1021/om700933y","","","0.71073","MoKα","","0.1717","0.0535","","","0.1011","0.1471","","","","","","0.799","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070675","8.548","0.003","9.595","0.003","11.491","0.004","65.568","0.005","82.827","0.005","79.743","0.005","843","0.5","160","2","160","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 N2 Ni0.5 O -","- C18 H23 N2 Ni0.5 O -","- C36 H46 N4 Ni O2 -","2","1","","Boardman, Brycelyn M.; Valderrama, Juan M.; Muñoz, Flor; Wu, Guang; Bazan, Guillermo C.; Rojas, Rene","Remote Activation of Nickel Complexes by Coordination of B(C6F5)3to an Exocyclic Carbonitrile Functionality","Organometallics","2008","27","8","1671","","10.1021/om700933y","","","0.71073","MoKα","","0.0408","0.0375","","","0.0976","0.1008","","","","","","1.05","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070676","24.747","0.004","24.747","0.004","7.4616","0.0015","90","","90","","120","","3957.4","1.2","100","2","100","2","","","","","","","","3","P -3 c 1","-P 3 2""c","165","","","","- C12 H12 Co -","- C12 H12 Co -","- C216 H216 Co18 -","18","1.5","","Mayer, Ulrich F. J.; Charmant, Jonathan P. H.; Rae, James; Manners, Ian","Synthesis and Structures of Strained, Neutral [d7] and Cationic [d6] Hydrocarbon-Bridged [n]Cobaltocenophanes (n= 2, 3)","Organometallics","2008","27","7","1524","","10.1021/om700941v","","","0.71073","MoKα","","0.0819","0.0677","","","0.2163","0.2278","","","","","","1.136","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070677","6.278","0.002","7.28","0.003","10.834","0.004","90","","101.286","0.006","90","","485.6","0.3","173","2","173","","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C13 H14 Co -","- C13 H14 Co -","- C26 H28 Co2 -","2","1","","Mayer, Ulrich F. J.; Charmant, Jonathan P. H.; Rae, James; Manners, Ian","Synthesis and Structures of Strained, Neutral [d7] and Cationic [d6] Hydrocarbon-Bridged [n]Cobaltocenophanes (n= 2, 3)","Organometallics","2008","27","7","1524","","10.1021/om700941v","","x-ray","0.71074","MoKα","","0.0225","0.0203","","","0.046","0.047","","","","","","1.014","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070678","7.1957","0.0002","10.2972","0.0004","14.7117","0.0006","90","","92.524","0.002","90","","1089.01","0.07","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl Co O -","- C12 H14 Cl Co O -","- C48 H56 Cl4 Co4 O4 -","4","1","","Mayer, Ulrich F. J.; Charmant, Jonathan P. H.; Rae, James; Manners, Ian","Synthesis and Structures of Strained, Neutral [d7] and Cationic [d6] Hydrocarbon-Bridged [n]Cobaltocenophanes (n= 2, 3)","Organometallics","2008","27","7","1524","","10.1021/om700941v","","","0.71073","MoKα","","0.0559","0.0433","","","0.1359","0.15","","","","","","1.126","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070679","17.909","0.0016","13.3238","0.0011","16.8338","0.0015","90","","102.007","0.005","90","","3928.9","0.6","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H33 B11 Cl6 Ir O P -","- C32 H33 B11 Cl6 Ir O P -","- C128 H132 B44 Cl24 Ir4 O4 P4 -","4","1","","Douvris, Christos; Reed, Christopher A.","Increasing the Reactivity of Vaska’s Compound. Oxidative Addition of Chlorobenzene at Ambient Temperature","Organometallics","2008","27","5","807","","10.1021/om700943w","","","0.71073","MoKα","","0.0622","0.034","","","0.0602","0.0684","","","","","","1.012","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070680","8.3919","0.0004","29.9794","0.0016","14.0388","0.0008","90","","96.183","0.003","90","","3511.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 B11 Cl6 Ir O P -","- C27 H29 B11 Cl6 Ir O P -","- C108 H116 B44 Cl24 Ir4 O4 P4 -","4","1","","Douvris, Christos; Reed, Christopher A.","Increasing the Reactivity of Vaska’s Compound. Oxidative Addition of Chlorobenzene at Ambient Temperature","Organometallics","2008","27","5","807","","10.1021/om700943w","","","0.71073","MoKα","","0.0252","0.0199","","","0.0424","0.0443","","","","","","1.061","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070681","9.1707","0.001","23.557","0.003","21.908","0.003","90","","93.6401","0.0014","90","","4723.3","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 B11 Br6 Ir O2 P2 -","- C39 H36 B11 Br6 Ir O2 P2 -","- C156 H144 B44 Br24 Ir4 O8 P8 -","4","1","","Douvris, Christos; Reed, Christopher A.","Increasing the Reactivity of Vaska’s Compound. Oxidative Addition of Chlorobenzene at Ambient Temperature","Organometallics","2008","27","5","807","","10.1021/om700943w","","","0.71073","MoKα","","0.0439","0.0284","","","0.0581","0.0626","","","","","","1.015","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070682","12.3768","0.0016","13.7609","0.0017","17.074","0.002","75.545","0.005","82.197","0.005","77.793","0.005","2741.7","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H36 B11 Cl12 Ir O P2 -","- C44 H36 B11 Cl12 Ir O P2 -","- C88 H72 B22 Cl24 Ir2 O2 P4 -","2","1","","Douvris, Christos; Reed, Christopher A.","Increasing the Reactivity of Vaska’s Compound. Oxidative Addition of Chlorobenzene at Ambient Temperature","Organometallics","2008","27","5","807","","10.1021/om700943w","","","0.71073","MoKα","","0.0219","0.0184","","","0.0421","0.0438","","","","","","1.036","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070683","20.6332","0.0007","20.6332","0.0007","38.833","0.003","90","","90","","90","","16532.3","1.5","187","2","187","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C39 H56 N2 O P Sc Si2 -","- C39 H56 N2 O P Sc Si2 -","- C624 H896 N32 O16 P16 Sc16 Si32 -","16","1","","Li, Shihui; Miao, Wei; Tang, Tao; Dong, Weimin; Zhang, Xuequan; Cui, Dongmei","New Rare Earth Metal Bis(alkyl)s Bearing an Iminophosphonamido Ligand. Synthesis and Catalysis toward Highly 3,4-Selective Polymerization of Isoprene","Organometallics","2008","27","4","718","","10.1021/om700945r","","","0.71073","MoKα","","0.1442","0.0551","","","0.0891","0.1103","","","","","","0.833","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070684","20.8477","0.001","20.8477","0.001","39.083","0.003","90","","90","","90","","16986.5","1.7","293","2","293","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C39 H56 N2 O P Si2 Y -","- C39 H56 N2 O P Si2 Y -","- C624 H896 N32 O16 P16 Si32 Y16 -","16","1","","Li, Shihui; Miao, Wei; Tang, Tao; Dong, Weimin; Zhang, Xuequan; Cui, Dongmei","New Rare Earth Metal Bis(alkyl)s Bearing an Iminophosphonamido Ligand. Synthesis and Catalysis toward Highly 3,4-Selective Polymerization of Isoprene","Organometallics","2008","27","4","718","","10.1021/om700945r","","","0.71073","MoKα","","0.1703","0.0613","","","0.1028","0.1331","","","","","","0.937","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070685","20.7862","0.0019","20.7862","0.0019","39.098","0.007","90","","90","","90","","16893","4","187","2","187","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C39 H56 Lu N2 O P Si2 -","- C39 H56 Lu N2 O P Si2 -","- C624 H896 Lu16 N32 O16 P16 Si32 -","16","1","","Li, Shihui; Miao, Wei; Tang, Tao; Dong, Weimin; Zhang, Xuequan; Cui, Dongmei","New Rare Earth Metal Bis(alkyl)s Bearing an Iminophosphonamido Ligand. Synthesis and Catalysis toward Highly 3,4-Selective Polymerization of Isoprene","Organometallics","2008","27","4","718","","10.1021/om700945r","","","0.71073","MoKα","","0.0393","0.0286","","","0.0689","0.0751","","","","","","1.049","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070686","20.6088","0.0004","20.6088","0.0004","38.8061","0.0015","90","","90","","90","","16481.8","0.8","187","2","187","2","","","","","","","","7","I 41/a :2","-I 4ad","88","","","","- C38 H55 N3 O P Sc Si2 -","- C38 H55 N3 O P Sc Si2 -","- C608 H880 N48 O16 P16 Sc16 Si32 -","16","1","","Li, Shihui; Miao, Wei; Tang, Tao; Dong, Weimin; Zhang, Xuequan; Cui, Dongmei","New Rare Earth Metal Bis(alkyl)s Bearing an Iminophosphonamido Ligand. Synthesis and Catalysis toward Highly 3,4-Selective Polymerization of Isoprene","Organometallics","2008","27","4","718","","10.1021/om700945r","","","0.71073","MoKα","","0.0697","0.0458","","","0.114","0.1267","","","","","","0.942","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070687","9.2377","0.0003","31.9049","0.0009","9.9119","0.0003","90","","92.24","0.02","90","","2919.08","0.16","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H35 Mo Ni O3 P -","- C33 H35 Mo Ni O3 P -","- C132 H140 Mo4 Ni4 O12 P4 -","4","1","","Clapham, Sarah; Braunstein, Pierre; Boag, Neil M.; Welter, Richard; Chetcuti, Michael J.","Carbon−Phosphorus Bond Cleavage in Allyldiphenylphosphine by a Heterobimetallic NiMo Complex and Formation of an Electronically Unsaturated NiMo2μ-Diphenylphosphido Cluster","Organometallics","2008","27","8","1758","","10.1021/om700946j","","","0.71073","MoKα","","0.1734","0.0881","","","0.1253","0.1558","","","","","","1.107","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070688","42.922","0.005","14.0273","0.001","10.2398","0.001","90","","92.03","0.05","90","","6161.3","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H35 Mo2 Ni O3 P -","- C35 H35 Mo2 Ni O3 P -","- C280 H280 Mo16 Ni8 O24 P8 -","8","1","","Clapham, Sarah; Braunstein, Pierre; Boag, Neil M.; Welter, Richard; Chetcuti, Michael J.","Carbon−Phosphorus Bond Cleavage in Allyldiphenylphosphine by a Heterobimetallic NiMo Complex and Formation of an Electronically Unsaturated NiMo2μ-Diphenylphosphido Cluster","Organometallics","2008","27","8","1758","","10.1021/om700946j","","","0.71073","MoKα","","0.0593","0.0394","","","0.0909","0.0975","","","","","","1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070689","14.5583","0.0008","20.1309","0.0011","26.9433","0.0015","90","","90","","90","","7896.3","0.8","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C84 H106 Br2 N6 O3 Pd2 -","- C84 H106 Br2 N6 O3 Pd2 -","- C336 H424 Br8 N24 O12 Pd8 -","4","1","","Dyson, Gavin; Frison, Jean-Cédric; Simonovic, Stevan; Whitwood, Adrian C.; Douthwaite, Richard E.","Synthesis and Structural Variation of Iron, Rhodium, Palladium, and Silver Complexes of a Chiral N-Heterocyclic Carbene−Phenoxyimine Hybrid Ligand","Organometallics","2008","27","2","281","","10.1021/om7009478","","","0.71073","MoKα","","0.0554","0.0511","","","0.1292","0.1323","","","","","","1.027","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070690","12.786","0.003","16.419","0.003","18.434","0.004","90","","90","","90","","3869.9","1.4","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H57 Cl N3 O Rh -","- C41 H57 Cl N3 O Rh -","- C164 H228 Cl4 N12 O4 Rh4 -","4","1","","Dyson, Gavin; Frison, Jean-Cédric; Simonovic, Stevan; Whitwood, Adrian C.; Douthwaite, Richard E.","Synthesis and Structural Variation of Iron, Rhodium, Palladium, and Silver Complexes of a Chiral N-Heterocyclic Carbene−Phenoxyimine Hybrid Ligand","Organometallics","2008","27","2","281","","10.1021/om7009478","","","0.71073","MoKα","","0.0448","0.0342","","","0.0656","0.0689","","","","","","1.016","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070691","16.8959","0.0014","18.3946","0.0016","23.265","0.002","90","","90","","90","","7230.6","1.1","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C73 H96 Ag2 Br2 Fe N6 O2 -","- C73 H96 Ag2 Br2 Fe N6 O2 -","- C292 H384 Ag8 Br8 Fe4 N24 O8 -","4","1","","Dyson, Gavin; Frison, Jean-Cédric; Simonovic, Stevan; Whitwood, Adrian C.; Douthwaite, Richard E.","Synthesis and Structural Variation of Iron, Rhodium, Palladium, and Silver Complexes of a Chiral N-Heterocyclic Carbene−Phenoxyimine Hybrid Ligand","Organometallics","2008","27","2","281","","10.1021/om7009478","","","0.71073","MoKα","","0.0578","0.0418","","","0.0876","0.094","","","","","","1.056","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070692","10.8124","0.001","31.337","0.003","12.0187","0.0012","90","","107.634","0.003","90","","3880.9","0.6","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H57 B F4 Mo N8 -","- C31 H51 B F4 Mo N6 -","- C124 H204 B4 F16 Mo4 N24 -","4","1","","Petrovic, Dejan; Hrib, Cristian G.; Randoll, Sören; Jones, Peter G.; Tamm, Matthias","Synthesis and Reactivity of 16-Electron Cycloheptatrienyl-Molybdenum(0) Complexes with Bis(imidazolin-2-imine) Ligands","Organometallics","2008","27","4","778","","10.1021/om700953u","","","0.71073","MoKα","","0.0753","0.0532","","","0.1479","0.1567","","","","","","1.091","","","","has coordinates,has disorder","178595","2020-10-21","18:00:00",""
"4070693","14.507","0.003","8.2464","0.0016","23.934","0.004","90","","98.753","0.004","90","","2829.9","0.9","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H38 B F4 Mo N7 -","- C25 H38 B F4 Mo N7 -","- C100 H152 B4 F16 Mo4 N28 -","4","1","","Petrovic, Dejan; Hrib, Cristian G.; Randoll, Sören; Jones, Peter G.; Tamm, Matthias","Synthesis and Reactivity of 16-Electron Cycloheptatrienyl-Molybdenum(0) Complexes with Bis(imidazolin-2-imine) Ligands","Organometallics","2008","27","4","778","","10.1021/om700953u","","","0.71073","MoKα","","0.0898","0.0404","","","0.0882","0.114","","","","","","1.011","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4070694","11.5973","0.0014","12.5314","0.0014","14.8528","0.0018","65.387","0.003","70.003","0.003","66.079","0.003","1754.5","0.4","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H41 F12 Mo N8 P2 -","- C27 H41 F12 Mo N8 P2 -","- C54 H82 F24 Mo2 N16 P4 -","2","1","","Petrovic, Dejan; Hrib, Cristian G.; Randoll, Sören; Jones, Peter G.; Tamm, Matthias","Synthesis and Reactivity of 16-Electron Cycloheptatrienyl-Molybdenum(0) Complexes with Bis(imidazolin-2-imine) Ligands","Organometallics","2008","27","4","778","","10.1021/om700953u","","","0.71073","MoKα","","0.0762","0.0434","","","0.0894","0.1027","","","","","","1.037","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070695","15.5178","0.0015","13.3193","0.0014","21.697","0.002","90","","95.982","0.006","90","","4460.1","0.8","133","2","133","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C43 H60 B D6 F4 Mo N7 O -","- C43 H66 B F4 Mo N7 O -","- C172 H264 B4 F16 Mo4 N28 O4 -","4","1","","Petrovic, Dejan; Hrib, Cristian G.; Randoll, Sören; Jones, Peter G.; Tamm, Matthias","Synthesis and Reactivity of 16-Electron Cycloheptatrienyl-Molybdenum(0) Complexes with Bis(imidazolin-2-imine) Ligands","Organometallics","2008","27","4","778","","10.1021/om700953u","","","0.71073","MoKα","","0.0481","0.0346","","","0.0825","0.0921","","","","","","1.097","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070696","8.009","0.0006","27.588","0.002","15.9818","0.0012","90","","100.119","0.002","90","","3476.3","0.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H44 F6 Mo N7 P -","- C32 H44 F6 Mo N7 P -","- C128 H176 F24 Mo4 N28 P4 -","4","1","","Petrovic, Dejan; Hrib, Cristian G.; Randoll, Sören; Jones, Peter G.; Tamm, Matthias","Synthesis and Reactivity of 16-Electron Cycloheptatrienyl-Molybdenum(0) Complexes with Bis(imidazolin-2-imine) Ligands","Organometallics","2008","27","4","778","","10.1021/om700953u","","","0.71073","MoKα","","0.0891","0.0528","","","0.1218","0.1428","","","","","","1.032","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070697","20.015","0.002","14.9142","0.0014","20.075","0.002","90","","90","","90","","5992.5","1","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H38 B2 F8 Mo N7 -","- C25 H38 B2 F8 Mo N7 -","- C200 H304 B16 F64 Mo8 N56 -","8","1","","Petrovic, Dejan; Hrib, Cristian G.; Randoll, Sören; Jones, Peter G.; Tamm, Matthias","Synthesis and Reactivity of 16-Electron Cycloheptatrienyl-Molybdenum(0) Complexes with Bis(imidazolin-2-imine) Ligands","Organometallics","2008","27","4","778","","10.1021/om700953u","","","0.71073","MoKα","","0.0684","0.0366","","","0.0806","0.099","","","","","","1.059","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070698","10.8684","0.0011","13.9752","0.0015","15.6286","0.0017","82.742","0.002","81.84","0.002","75.184","0.002","2261.6","0.4","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H59 F3 N6 O3 S Si2 Zr -","- C39 H59 F3 N6 O3 S Si2 Zr -","- C78 H118 F6 N12 O6 S2 Si4 Zr2 -","2","1","","Herrmann, Heike; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H.","A Zirconium (1-Pyridinio)imido Complex: Facile N−N Bond Cleavage and N−C Bond Formation","Organometallics","2008","27","2","172","","10.1021/om700955p","","x-ray","0.71073","MoKα","","0.0764","0.0524","","","0.1373","0.1507","","","","","","1.187","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070699","10.4937","0.0005","19.0633","0.0009","20.8233","0.001","90","","102.123","0.001","90","","4072.7","0.3","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C32 H55 F3 N6 O3 S Si2 Zr -","- C32 H55 F3 N6 O3 S Si2 Zr -","- C128 H220 F12 N24 O12 S4 Si8 Zr4 -","4","1","","Herrmann, Heike; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H.","A Zirconium (1-Pyridinio)imido Complex: Facile N−N Bond Cleavage and N−C Bond Formation","Organometallics","2008","27","2","172","","10.1021/om700955p","","x-ray","0.71073","MoKα","","0.064","0.0417","","","0.0966","0.1063","","","","","","1.085","","","","has coordinates","178595","2020-10-21","18:00:00",""
"4070700","9.9979","0.0006","13.3201","0.0009","18.538","0.0011","92.16","0.001","103.483","0.001","110.444","0.001","2230.2","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C38.5 H58 F3 N5 O4 S Si2 Zr -","- C38.5 H58 F3 N5 O4 S Si2 Zr -","- C77 H116 F6 N10 O8 S2 Si4 Zr2 -","2","1","","Herrmann, Heike; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H.","A Zirconium (1-Pyridinio)imido Complex: Facile N−N Bond Cleavage and N−C Bond Formation","Organometallics","2008","27","2","172","","10.1021/om700955p","","x-ray","0.71073","MoKα","","0.0548","0.0393","","","0.0972","0.1052","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070701","12.753","0.003","17.823","0.004","15.462","0.004","90","","90.205","0.004","90","","3514.4","1.5","294","2","294","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 Cl2 Fe2 N O6 P S2 -","- C33 H26 Cl2 Fe2 N O6 P S2 -","- C132 H104 Cl8 Fe8 N4 O24 P4 S8 -","4","1","","Song, Li-Cheng; Wang, Hu-Ting; Ge, Jian-Hua; Mei, Shu-Zhen; Gao, Jie; Wang, Liang-Xing; Gai, Bin; Zhao, Li-Qun; Yan, Jing; Wang, Yong-Zhen","Investigations on the Active Site Models of [FeFe]-Hydrogenases: Synthesis, Structure, and Properties of N-Functionalized Azadithiolatodiiron Complexes Containing Mono- and Diphosphine Ligands","Organometallics","2008","27","7","1409","","10.1021/om700956e","","","0.71073","MoKα","","0.1164","0.048","","","0.1014","0.1281","","","","","","1.005","","","","has coordinates,has disorder","178596","2020-10-21","18:00:00",""
"4070702","9.679","0.003","12.785","0.005","12.908","0.004","71.734","0.011","68.835","0.013","77.581","0.013","1405.1","0.8","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H22 Fe2 N O7 P S2 -","- C27 H22 Fe2 N O7 P S2 -","- C54 H44 Fe4 N2 O14 P2 S4 -","2","1","","Song, Li-Cheng; Wang, Hu-Ting; Ge, Jian-Hua; Mei, Shu-Zhen; Gao, Jie; Wang, Liang-Xing; Gai, Bin; Zhao, Li-Qun; Yan, Jing; Wang, Yong-Zhen","Investigations on the Active Site Models of [FeFe]-Hydrogenases: Synthesis, Structure, and Properties of N-Functionalized Azadithiolatodiiron Complexes Containing Mono- and Diphosphine Ligands","Organometallics","2008","27","7","1409","","10.1021/om700956e","","","0.7107","MoKα","","0.0441","0.0354","","","0.0744","0.0785","","","","","","1.043","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070703","9.3759","0.0013","19.56","0.003","21.756","0.003","90","","94.719","0.002","90","","3976.4","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H35 Fe2 N O6 P2 S2 -","- C40 H35 Fe2 N O6 P2 S2 -","- C160 H140 Fe8 N4 O24 P8 S8 -","4","1","","Song, Li-Cheng; Wang, Hu-Ting; Ge, Jian-Hua; Mei, Shu-Zhen; Gao, Jie; Wang, Liang-Xing; Gai, Bin; Zhao, Li-Qun; Yan, Jing; Wang, Yong-Zhen","Investigations on the Active Site Models of [FeFe]-Hydrogenases: Synthesis, Structure, and Properties of N-Functionalized Azadithiolatodiiron Complexes Containing Mono- and Diphosphine Ligands","Organometallics","2008","27","7","1409","","10.1021/om700956e","","","0.7107","MoKα","","0.049","0.0404","","","0.099","0.1055","","","","","","1.091","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070704","12.519","0.002","17.022","0.003","12.706","0.002","90","","119.186","0.003","90","","2363.9","0.7","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Fe2 N O6 P S2 -","- C21 H18 Fe2 N O6 P S2 -","- C84 H72 Fe8 N4 O24 P4 S8 -","4","1","","Song, Li-Cheng; Wang, Hu-Ting; Ge, Jian-Hua; Mei, Shu-Zhen; Gao, Jie; Wang, Liang-Xing; Gai, Bin; Zhao, Li-Qun; Yan, Jing; Wang, Yong-Zhen","Investigations on the Active Site Models of [FeFe]-Hydrogenases: Synthesis, Structure, and Properties of N-Functionalized Azadithiolatodiiron Complexes Containing Mono- and Diphosphine Ligands","Organometallics","2008","27","7","1409","","10.1021/om700956e","","","0.71073","MoKα","","0.0778","0.0404","","","0.075","0.0862","","","","","","1.054","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070705","11.09","0.002","12.673","0.003","14.953","0.003","89.762","0.004","69.865","0.003","64.38","0.003","1752.9","0.6","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H26 Fe3 N O8 P S2 -","- C33 H26 Fe3 N O8 P S2 -","- C66 H52 Fe6 N2 O16 P2 S4 -","2","1","","Song, Li-Cheng; Wang, Hu-Ting; Ge, Jian-Hua; Mei, Shu-Zhen; Gao, Jie; Wang, Liang-Xing; Gai, Bin; Zhao, Li-Qun; Yan, Jing; Wang, Yong-Zhen","Investigations on the Active Site Models of [FeFe]-Hydrogenases: Synthesis, Structure, and Properties of N-Functionalized Azadithiolatodiiron Complexes Containing Mono- and Diphosphine Ligands","Organometallics","2008","27","7","1409","","10.1021/om700956e","","","0.71073","MoKα","","0.0714","0.038","","","0.0842","0.0989","","","","","","1.013","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070706","9.964","0.0013","12.0864","0.0016","13.0405","0.0017","90","","105.405","0.002","90","","1514","0.3","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Fe2 N O6 S2 -","- C10 H9 Fe2 N O6 S2 -","- C40 H36 Fe8 N4 O24 S8 -","4","1","","Stanley, Jane L.; Heiden, Zachariah M.; Rauchfuss, Thomas B.; Wilson, Scott R.; De Gioia, Luca; Zampella, Guiseppe","Desymmetrized Diiron Azadithiolato Carbonyls: A Step Toward Modeling the Iron-Only Hydrogenases.","Organometallics","2008","27","1","119","125","10.1021/om7009599","","","0.71073","MoKα","","0.0617","0.0337","","","0.0648","0.0703","","","","","","0.897","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070707","8.884","0.003","10.484","0.004","15.902","0.005","93.118","0.005","98.856","0.005","106.601","0.005","1394.9","0.8","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H24 Fe2 N O5 P S2 -","- C27 H24 Fe2 N O5 P S2 -","- C54 H48 Fe4 N2 O10 P2 S4 -","2","1","","Stanley, Jane L.; Heiden, Zachariah M.; Rauchfuss, Thomas B.; Wilson, Scott R.; De Gioia, Luca; Zampella, Guiseppe","Desymmetrized Diiron Azadithiolato Carbonyls: A Step Toward Modeling the Iron-Only Hydrogenases.","Organometallics","2008","27","1","119","125","10.1021/om7009599","","","0.71073","MoKα","","0.1721","0.0715","","","0.1365","0.1717","","","","","","0.934","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070708","6.8441","0.0007","13.6033","0.0014","7.7636","0.0008","90","","108.98","0.002","90","","683.51","0.12","297","2","297","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C8 H5 Fe2 N O6 S2 -","- C8 H5 Fe2 N O6 S2 -","- C16 H10 Fe4 N2 O12 S4 -","2","0.5","","Stanley, Jane L.; Heiden, Zachariah M.; Rauchfuss, Thomas B.; Wilson, Scott R.; De Gioia, Luca; Zampella, Guiseppe","Desymmetrized Diiron Azadithiolato Carbonyls: A Step Toward Modeling the Iron-Only Hydrogenases.","Organometallics","2008","27","1","119","125","10.1021/om7009599","","","0.71073","MoKα","","0.0322","0.0239","","","0.06","0.0641","","","","","","1.041","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070709","12.5582","0.0009","13.3633","0.001","16.1012","0.0012","71.821","0.002","67.989","0.001","65.683","0.001","2242.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H58 Li N3 O Si4 Sn -","- C35 H58 Li N3 O Si4 Sn -","- C70 H116 Li2 N6 O2 Si8 Sn2 -","2","1","","Kilian, Michaela; Wadepohl, Hubert; Gade, Lutz H.","Triamidostannates(II) as Sterically Demanding Ligands for Rhodium and Iridium","Organometallics","2008","27","4","524","","10.1021/om700960p","","x-ray","0.71073","MoKα","","0.0501","0.0359","","","0.0841","0.0894","","","","","","1.112","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070710","14.2713","0.0016","12.397","0.0015","25.911","0.003","90","","102.079","0.003","90","","4482.7","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H60 N3 Rh Si4 Sn -","- C39 H60 N3 Rh Si4 Sn -","- C156 H240 N12 Rh4 Si16 Sn4 -","4","1","","Kilian, Michaela; Wadepohl, Hubert; Gade, Lutz H.","Triamidostannates(II) as Sterically Demanding Ligands for Rhodium and Iridium","Organometallics","2008","27","4","524","","10.1021/om700960p","","x-ray","0.71073","MoKα","","0.0849","0.0551","","","0.131","0.1467","","","","","","0.991","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070711","14.1402","0.0017","23.38","0.003","15.953","0.002","90","","96.568","0.002","90","","5239.4","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H69 N3 P Rh Si4 Sn -","- C54 H69 N3 P Rh Si4 Sn -","- C216 H276 N12 P4 Rh4 Si16 Sn4 -","4","1","","Kilian, Michaela; Wadepohl, Hubert; Gade, Lutz H.","Triamidostannates(II) as Sterically Demanding Ligands for Rhodium and Iridium","Organometallics","2008","27","4","524","","10.1021/om700960p","","x-ray","0.71073","MoKα","","0.0766","0.0492","","","0.1127","0.1254","","","","","","0.991","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070712","12.983","0.0013","13.2225","0.0013","21.979","0.002","95.447","0.002","105.608","0.002","104.915","0.002","3456.5","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H89 N3 P Rh Si4 Sn -","- C74 H89 N3 P Rh Si4 Sn -","- C148 H178 N6 P2 Rh2 Si8 Sn2 -","2","1","","Kilian, Michaela; Wadepohl, Hubert; Gade, Lutz H.","Triamidostannates(II) as Sterically Demanding Ligands for Rhodium and Iridium","Organometallics","2008","27","4","524","","10.1021/om700960p","","x-ray","0.71073","MoKα","","0.0925","0.0501","","","0.112","0.1272","","","","","","0.99","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070713","42.049","0.004","12.9598","0.0011","19.6423","0.0017","90","","90","","90","","10704","1.6","100","2","100","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C53 H65 N3 P Rh Si4 Sn -","- C53 H65 N3 P Rh Si4 Sn -","- C424 H520 N24 P8 Rh8 Si32 Sn8 -","8","1","","Kilian, Michaela; Wadepohl, Hubert; Gade, Lutz H.","Triamidostannates(II) as Sterically Demanding Ligands for Rhodium and Iridium","Organometallics","2008","27","4","524","","10.1021/om700960p","","x-ray","0.71073","MoKα","","0.0844","0.0554","","","0.1259","0.1366","","","","","","1.022","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070714","11.87","0.003","11.947","0.002","19.451","0.005","85.419","0.005","81.054","0.004","81.686","0.004","2691.5","1.1","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H66 N3 P Rh Si4 Sn -","- C55 H66 N3 P Rh Si4 Sn -","- C110 H132 N6 P2 Rh2 Si8 Sn2 -","2","1","","Kilian, Michaela; Wadepohl, Hubert; Gade, Lutz H.","Triamidostannates(II) as Sterically Demanding Ligands for Rhodium and Iridium","Organometallics","2008","27","4","524","","10.1021/om700960p","","x-ray","0.71073","MoKα","","0.058","0.0376","","","0.0692","0.0744","","","","","","1.048","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070715","12.91","0.005","16.198","0.008","28.002","0.009","90","","115.862","0.019","90","","5269","4","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H69 Ir N3 P Si4 Sn -","- C54 H69 Ir N3 P Si4 Sn -","- C216 H276 Ir4 N12 P4 Si16 Sn4 -","4","1","","Kilian, Michaela; Wadepohl, Hubert; Gade, Lutz H.","Triamidostannates(II) as Sterically Demanding Ligands for Rhodium and Iridium","Organometallics","2008","27","4","524","","10.1021/om700960p","","x-ray","0.71073","MoKα","","0.0486","0.0348","","","0.0795","0.0853","","","","","","1.087","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070716","10.02","0.003","10.133","0.003","12.855","0.005","79.93","0.03","73.96","0.03","78.09","0.03","1217.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","octakis(3-chloropropanyl-sesquisiloxane)","","- C24 H48 Cl8 O12 Si8 -","- C24 H48 Cl8 O12 Si8 -","- C24 H48 Cl8 O12 Si8 -","1","0.5","","Marciniec, Bogdan; Dutkiewicz, Michal; Maciejewski, Hieronim; Kubicki, Maciej","New, Effective Method of Synthesis and Structural Characterization of Octakis(3-chloropropyl)octasilsesquioxane","Organometallics","2008","27","4","793","","10.1021/om700962x","","","0.71073","MoKα","","0.1604","0.0859","","","0.1976","0.2105","","","","","","1.768","","","","has coordinates,has disorder","178596","2020-10-21","18:00:00",""
"4070717","9.7601","0.0005","19.3294","0.0007","14.7733","0.0005","90","","91.19","0.002","90","","2786.5","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 B Cl3 F4 N2 Pt Ru -","- C23 H36 B Cl3 F4 N2 Pt Ru -","- C92 H144 B4 Cl12 F16 N8 Pt4 Ru4 -","4","1","","Bonnet, Sylvestre; Lutz, Martin; Spek, Anthony L.; Koten, Gerard van; Klein Gebbink, Robertus J. M.","η6-Coordination of a Ruthenium(II) Organometallic Fragment to the Arene Ring of N,C,N-Pincer Metal Complexes","Organometallics","2008","27","2","159","","10.1021/om7009649","","","0.71073","MoKα","","0.0191","0.0155","","","0.0325","0.0337","","","","","","1.051","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070718","9.77336","0.00019","19.3029","0.0005","14.73985","0.00019","90","","91.055","0.001","90","","2780.26","0.1","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 B Cl3 F4 N2 Pd Ru -","- C23 H36 B Cl3 F4 N2 Pd Ru -","- C92 H144 B4 Cl12 F16 N8 Pd4 Ru4 -","4","1","","Bonnet, Sylvestre; Lutz, Martin; Spek, Anthony L.; Koten, Gerard van; Klein Gebbink, Robertus J. M.","η6-Coordination of a Ruthenium(II) Organometallic Fragment to the Arene Ring of N,C,N-Pincer Metal Complexes","Organometallics","2008","27","2","159","","10.1021/om7009649","","","0.71073","MoKα","","0.019","0.0166","","","0.038","0.0391","","","","","","1.063","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070719","8.512","0.005","22.951","0.012","11.753","0.006","90","","110.2","0.01","90","","2155","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 N2 O11 Ru3 -","- C16 H8 N2 O11 Ru3 -","- C64 H32 N8 O44 Ru12 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; Miguel, Daniel; Pérez-Carreño, Enrique; Sánchez-Vega, M. Gabriela","Reactivity of N-Heterocyclic Carbenes with [Ru3(CO)12] and [Os3(CO)12]. Influence of Ligand Volume and Electronic Effects","Organometallics","2008","27","2","211","","10.1021/om7009655","","","0.71073","MoKα","","0.0259","0.023","","","0.0539","0.0552","","","","","","1.111","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070720","8.332","0.004","11.889","0.007","11.904","0.007","84.78","0.05","73.1","0.06","70.62","0.05","1064.3","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H5 N O12 Ru3 -","- C15 H5 N O12 Ru3 -","- C30 H10 N2 O24 Ru6 -","2","1","","Cabeza, Javier A.; del Río, Ignacio; Miguel, Daniel; Pérez-Carreño, Enrique; Sánchez-Vega, M. Gabriela","Reactivity of N-Heterocyclic Carbenes with [Ru3(CO)12] and [Os3(CO)12]. Influence of Ligand Volume and Electronic Effects","Organometallics","2008","27","2","211","","10.1021/om7009655","","","1.54178","CuKα","","0.0641","0.05","","","0.1343","0.1627","","","","","","1.002","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4070721","10.5169","0.0002","14.003","0.0002","27.2135","0.0004","87.424","0.001","87.675","0.001","86","0.001","3991.06","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H74 N4 O18 Ru6 -","- C72 H74 N4 O18 Ru6 -","- C144 H148 N8 O36 Ru12 -","2","1","","Cabeza, Javier A.; del Río, Ignacio; Miguel, Daniel; Pérez-Carreño, Enrique; Sánchez-Vega, M. Gabriela","Reactivity of N-Heterocyclic Carbenes with [Ru3(CO)12] and [Os3(CO)12]. Influence of Ligand Volume and Electronic Effects","Organometallics","2008","27","2","211","","10.1021/om7009655","","","1.54178","CuKα","","0.0637","0.056","","","0.1733","0.1819","","","","","","1.032","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070722","13.6171","0.0001","15.1982","0.00009","16.7505","0.0001","90","","90.604","0.001","90","","3466.41","0.04","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H24 N2 O11 Ru3 -","- C32 H24 N2 O11 Ru3 -","- C128 H96 N8 O44 Ru12 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; Miguel, Daniel; Pérez-Carreño, Enrique; Sánchez-Vega, M. Gabriela","Reactivity of N-Heterocyclic Carbenes with [Ru3(CO)12] and [Os3(CO)12]. Influence of Ligand Volume and Electronic Effects","Organometallics","2008","27","2","211","","10.1021/om7009655","","","1.54178","CuKα","","0.0383","0.0343","","","0.0975","0.1061","","","","","","1.075","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070723","8.472","0.003","22.858","0.008","11.767","0.004","90","","110.195","0.007","90","","2138.6","1.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H8 N2 O11 Os3 -","- C16 H8 N2 O11 Os3 -","- C64 H32 N8 O44 Os12 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; Miguel, Daniel; Pérez-Carreño, Enrique; Sánchez-Vega, M. Gabriela","Reactivity of N-Heterocyclic Carbenes with [Ru3(CO)12] and [Os3(CO)12]. Influence of Ligand Volume and Electronic Effects","Organometallics","2008","27","2","211","","10.1021/om7009655","","","0.71073","MoKα","","0.0328","0.0293","","","0.0757","0.0774","","","","","","1.083","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070724","12.0378","0.0003","15.882","0.0003","23.9342","0.0005","90","","90","","90","","4575.84","0.17","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C24 H27 B F Fe N Sn -","- C24 H27 B F Fe N Sn -","- C192 H216 B8 F8 Fe8 N8 Sn8 -","8","1","","Boshra, Ramez; Doshi, Ami; Jäkle, Frieder","Fluoride-Promoted Aryl and Allyl Migration from Boron to Tin in 1-Stannyl-2-borylferrocenes","Organometallics","2008","27","7","1534","","10.1021/om700967a","","","1.54178","CuKα","","0.0506","0.0435","","","0.1076","0.1117","","","","","","1.091","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070725","10.6477","0.0003","13.3122","0.0003","24.4814","0.0006","90","","93.176","0.001","90","","3464.77","0.15","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C31 H46 B F2 Fe K O6 Sn -","- C31 H46 B F2 Fe K O6 Sn -","- C124 H184 B4 F8 Fe4 K4 O24 Sn4 -","4","1","","Boshra, Ramez; Doshi, Ami; Jäkle, Frieder","Fluoride-Promoted Aryl and Allyl Migration from Boron to Tin in 1-Stannyl-2-borylferrocenes","Organometallics","2008","27","7","1534","","10.1021/om700967a","","","1.54178","CuKα","","0.0344","0.0305","","","0.0737","0.0761","","","","","","1.027","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070726","11.4187","0.0011","11.5317","0.0011","12.1602","0.0011","93.651","0.001","106.249","0.001","114.684","0.001","1366.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 Al N2 O -","- C32 H38 Al N2 O -","- C64 H76 Al2 N4 O2 -","2","1","","Yang, Ying; Schulz, Thomas; John, Michael; Yang, Zhi; Jiménez-Pérez, Victor Manuel; Roesky, Herbert W.; Gurubasavaraj, Prabhuodeyara M.; Stalke, Dietmar; Ye, Hongqi","Organoaluminum Hydroxides Supported by β-Diketiminato Ligands: Synthesis, Structural Characterization, and Reactions","Organometallics","2008","27","4","769","","10.1021/om700969g","","","0.71073","MoKα","","0.0571","0.0392","","","0.0948","0.1041","","","","","","1.043","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070727","9.0526","0.001","12.0803","0.0014","18.727","0.002","73.667","0.001","82.399","0.001","86.187","0.001","1947.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H63 Al N2 O3 -","- C43 H63 Al N2 O3 -","- C86 H126 Al2 N4 O6 -","2","1","","Yang, Ying; Schulz, Thomas; John, Michael; Yang, Zhi; Jiménez-Pérez, Victor Manuel; Roesky, Herbert W.; Gurubasavaraj, Prabhuodeyara M.; Stalke, Dietmar; Ye, Hongqi","Organoaluminum Hydroxides Supported by β-Diketiminato Ligands: Synthesis, Structural Characterization, and Reactions","Organometallics","2008","27","4","769","","10.1021/om700969g","","","0.71073","MoKα","","0.0427","0.0388","","","0.1039","0.1073","","","","","","1.047","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070728","16.954","0.002","10.0454","0.0015","17.892","0.003","90","","103.031","0.002","90","","2968.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H47 Al N2 O2 -","- C31 H47 Al N2 O2 -","- C124 H188 Al4 N8 O8 -","4","1","","Yang, Ying; Schulz, Thomas; John, Michael; Yang, Zhi; Jiménez-Pérez, Victor Manuel; Roesky, Herbert W.; Gurubasavaraj, Prabhuodeyara M.; Stalke, Dietmar; Ye, Hongqi","Organoaluminum Hydroxides Supported by β-Diketiminato Ligands: Synthesis, Structural Characterization, and Reactions","Organometallics","2008","27","4","769","","10.1021/om700969g","","","0.71073","MoKα","","0.0542","0.0379","","","0.0905","0.0982","","","","","","1.02","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070729","8.8703","0.001","19.895","0.002","10.231","0.0011","90","","114.08","0.001","90","","1648.4","0.3","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H51 Al N2 O2 Si -","- C32 H51 Al N2 O2 Si -","- C64 H102 Al2 N4 O4 Si2 -","2","1","","Yang, Ying; Schulz, Thomas; John, Michael; Yang, Zhi; Jiménez-Pérez, Victor Manuel; Roesky, Herbert W.; Gurubasavaraj, Prabhuodeyara M.; Stalke, Dietmar; Ye, Hongqi","Organoaluminum Hydroxides Supported by β-Diketiminato Ligands: Synthesis, Structural Characterization, and Reactions","Organometallics","2008","27","4","769","","10.1021/om700969g","","","0.71073","MoKα","","0.0482","0.0337","","","0.0778","0.0856","","","","","","1.03","","","","has coordinates,has disorder","178596","2020-10-21","18:00:00",""
"4070730","37.4042","0.0015","12.8409","0.0005","19.3062","0.0008","90","","104.05","","90","","8995.4","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C49 H66 Al N2 O Zr -","- C49 H66 Al N2 O Zr -","- C392 H528 Al8 N16 O8 Zr8 -","8","1","","Yang, Ying; Schulz, Thomas; John, Michael; Yang, Zhi; Jiménez-Pérez, Victor Manuel; Roesky, Herbert W.; Gurubasavaraj, Prabhuodeyara M.; Stalke, Dietmar; Ye, Hongqi","Organoaluminum Hydroxides Supported by β-Diketiminato Ligands: Synthesis, Structural Characterization, and Reactions","Organometallics","2008","27","4","769","","10.1021/om700969g","","","0.71073","MoKα","","0.0271","0.0255","","","0.0672","0.0685","","","","","","1.043","","","","has coordinates,has disorder","178596","2020-10-21","18:00:00",""
"4070731","12.244","0.005","14.843","0.007","15.51","0.007","114.224","0.007","91.944","0.004","92.901","0.004","2563","2","193.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C21 H35 Cl2 Ir2 N O2 S -","- C21 H34 Cl2 Ir2 N O2 S -","- C84 H136 Cl8 Ir8 N4 O8 S4 -","4","2","","Arita, Hiroko; Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao","Acid‒Base Bifunction and Umpolung of the Bridging Hydride in a Coordinatively Unsaturated Mesylimido- and Hydrido-Bridged Diiridium Complex","Organometallics","2008","27","4","493","","10.1021/om7009705","","","0.7107","MoKα","","","0.0513","","","","0.1352","","","","","","1.009","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070732","14.283","0.003","11.501","0.003","14.714","0.004","90","","103.945","0.003","90","","2345.8","1","193.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H34 Cl Ir2 N O2 S -","- C21 H33 Cl Ir2 N O2 S -","- C84 H132 Cl4 Ir8 N4 O8 S4 -","4","1","","Arita, Hiroko; Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao","Acid‒Base Bifunction and Umpolung of the Bridging Hydride in a Coordinatively Unsaturated Mesylimido- and Hydrido-Bridged Diiridium Complex","Organometallics","2008","27","4","493","","10.1021/om7009705","","","0.7107","MoKα","","","0.0241","","","","0.0861","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070733","16.469","0.007","15.342","0.007","20.655","0.009","90","","90","","90","","5219","4","193.1","","","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H34 Cl Ir2 N O3 S -","- C22 H34 Cl Ir2 N O3 S -","- C176 H272 Cl8 Ir16 N8 O24 S8 -","8","1","","Arita, Hiroko; Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao","Acid‒Base Bifunction and Umpolung of the Bridging Hydride in a Coordinatively Unsaturated Mesylimido- and Hydrido-Bridged Diiridium Complex","Organometallics","2008","27","4","493","","10.1021/om7009705","","","0.7107","MoKα","","","0.0408","","","","0.1456","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070734","8.504","0.004","17.302","0.008","17.943","0.009","90","","106.364","0.005","90","","2533","2","193.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H33 Ir2 N O4 S -","- C23 H33 Ir2 N O4 S -","- C92 H132 Ir8 N4 O16 S4 -","4","1","","Arita, Hiroko; Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao","Acid‒Base Bifunction and Umpolung of the Bridging Hydride in a Coordinatively Unsaturated Mesylimido- and Hydrido-Bridged Diiridium Complex","Organometallics","2008","27","4","493","","10.1021/om7009705","","","0.7107","MoKα","","","0.0284","","","","0.096","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070735","13.225","0.002","17.355","0.003","14.27","0.003","90","","95.577","0.002","90","","3259.7","1","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C54 H110 Al2 Li2 N2 O4 Si4 -","- C54 H110 Al2 Li2 N2 O4 Si4 -","- C108 H220 Al4 Li4 N4 O8 Si8 -","2","0.5","","Cheng, Xiaoyan; Zhang, Jianying; Song, Haibin; Cui, Chunming","Synthesis and Characterization of the Monomeric Vicinal Dianion Li~2~(THF)~3~[ArNC(SiMe~3~)~2~] and the Aluminum and Lithium Derivatives of the Amido Ligand [ArNCH(SiMe~3~)~2~]^-^","Organometallics","2008","27","4","678","682","10.1021/om700972a","","","0.7107","MoKα","","0.0689","0.0562","","","0.1312","0.1392","","","","","","1.072","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070736","9.447","0.002","12.565","0.003","11.38","0.003","90","","91.994","0.004","90","","1350","0.6","113","2","113","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H46 Al N O Si2 -","- C23 H46 Al N O Si2 -","- C46 H92 Al2 N2 O2 Si4 -","2","1","","Cheng, Xiaoyan; Zhang, Jianying; Song, Haibin; Cui, Chunming","Synthesis and Characterization of the Monomeric Vicinal Dianion Li~2~(THF)~3~[ArNC(SiMe~3~)~2~] and the Aluminum and Lithium Derivatives of the Amido Ligand [ArNCH(SiMe~3~)~2~]^-^","Organometallics","2008","27","4","678","682","10.1021/om700972a","","","0.7107","MoKα","","0.0398","0.0304","","","0.069","0.0724","","","","","","0.999","","","","has coordinates","209848","2020-10-21","18:00:00",""
"4070737","10.4567","0.0006","14.0978","0.0008","20.621","0.0014","90","","99.981","0.003","90","","2993.9","0.3","113","2","113","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H44 Al I2 N O Si2 -","- C23 H44 Al I2 N O Si2 -","- C92 H176 Al4 I8 N4 O4 Si8 -","4","1","","Cheng, Xiaoyan; Zhang, Jianying; Song, Haibin; Cui, Chunming","Synthesis and Characterization of the Monomeric Vicinal Dianion Li~2~(THF)~3~[ArNC(SiMe~3~)~2~] and the Aluminum and Lithium Derivatives of the Amido Ligand [ArNCH(SiMe~3~)~2~]^-^","Organometallics","2008","27","4","678","682","10.1021/om700972a","","","0.7107","MoKα","","0.0341","0.0282","","","0.0636","0.0662","","","","","","1.011","","","","has coordinates","209848","2020-10-21","18:00:00",""
"4070738","10.134","0.004","17.794","0.007","10.376","0.004","90","","112.011","0.006","90","","1734.7","1.2","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H59 Li2 N O3 Si2 -","- C31 H59 Li2 N O3 Si2 -","- C62 H118 Li4 N2 O6 Si4 -","2","1","","Cheng, Xiaoyan; Zhang, Jianying; Song, Haibin; Cui, Chunming","Synthesis and Characterization of the Monomeric Vicinal Dianion Li~2~(THF)~3~[ArNC(SiMe~3~)~2~] and the Aluminum and Lithium Derivatives of the Amido Ligand [ArNCH(SiMe~3~)~2~]^-^","Organometallics","2008","27","4","678","682","10.1021/om700972a","","","0.7107","MoKα","","0.0764","0.056","","","0.1093","0.1192","","","","","","1.026","","","","has coordinates","209848","2020-10-21","18:00:00",""
"4070739","9.9324","0.0012","17.397","0.002","16.0983","0.0018","90","","101.203","0.002","90","","2728.7","0.5","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H46 Li N O Si2 -","- C23 H46 Li N O Si2 -","- C92 H184 Li4 N4 O4 Si8 -","4","1","","Cheng, Xiaoyan; Zhang, Jianying; Song, Haibin; Cui, Chunming","Synthesis and Characterization of the Monomeric Vicinal Dianion Li~2~(THF)~3~[ArNC(SiMe~3~)~2~] and the Aluminum and Lithium Derivatives of the Amido Ligand [ArNCH(SiMe~3~)~2~]^-^","Organometallics","2008","27","4","678","682","10.1021/om700972a","","","0.7107","MoKα","","0.0658","0.0498","","","0.1104","0.1179","","","","","","1.086","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070740","12.1129","0.0008","14.2546","0.0009","21.6898","0.0015","90","","92.097","0.003","90","","3742.6","0.4","98","2","98","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H57 B Br2 Fe P2 Pt -","- C36 H57 B Br2 Fe P2 Pt -","- C144 H228 B4 Br8 Fe4 P8 Pt4 -","4","1","","Braunschweig, Holger; Leech, Ralph; Rais, Daniela; Radacki, Krzysztof; Uttinger, Katharina","Conversion oftrans-Bromoboryl Platinum Complexes into theircis-Analogues upon Treatment with Chelating Bisphosphines","Organometallics","2008","27","3","418","","10.1021/om700976t","","","0.71073","MoKα","","0.0422","0.0297","","","0.0695","0.0772","","","","","","1.131","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070741","17.1174","0.0004","19.8926","0.0004","23.6733","0.0006","90","","90","","90","","8061","0.3","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C38 H66 B Br2 N P2 Pt -","- C38 H66 B Br2 N P2 Pt -","- C304 H528 B8 Br16 N8 P16 Pt8 -","8","1","","Braunschweig, Holger; Leech, Ralph; Rais, Daniela; Radacki, Krzysztof; Uttinger, Katharina","Conversion oftrans-Bromoboryl Platinum Complexes into theircis-Analogues upon Treatment with Chelating Bisphosphines","Organometallics","2008","27","3","418","","10.1021/om700976t","","","0.71073","MoKα","","0.0389","0.0268","","","0.0593","0.0659","","","","","","1.097","","","","has coordinates,has disorder","178596","2020-10-21","18:00:00",""
"4070742","8.6839","0.0003","16.0549","0.0005","17.787","0.0006","78.295","0.002","81.914","0.002","76.596","0.002","2350.69","0.14","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H74 B Br2 P2 Pt -","- C50 H74 B Br2 P2 Pt -","- C100 H148 B2 Br4 P4 Pt2 -","2","1","","Braunschweig, Holger; Leech, Ralph; Rais, Daniela; Radacki, Krzysztof; Uttinger, Katharina","Conversion oftrans-Bromoboryl Platinum Complexes into theircis-Analogues upon Treatment with Chelating Bisphosphines","Organometallics","2008","27","3","418","","10.1021/om700976t","","","0.71073","MoKα","","0.0442","0.0368","","","0.0955","0.1021","","","","","","1.127","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070743","8.6923","0.0013","17.456","0.002","27.895","0.004","90","","92.335","0.007","90","","4229.1","1","99","2","99","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H63 B Br Cl5 P2 Pt -","- C37 H63 B Br Cl5 P2 Pt -","- C148 H252 B4 Br4 Cl20 P8 Pt4 -","4","1","","Braunschweig, Holger; Leech, Ralph; Rais, Daniela; Radacki, Krzysztof; Uttinger, Katharina","Conversion oftrans-Bromoboryl Platinum Complexes into theircis-Analogues upon Treatment with Chelating Bisphosphines","Organometallics","2008","27","3","418","","10.1021/om700976t","","","0.71073","MoKα","","0.0946","0.0652","","","0.1513","0.1646","","","","","","1.086","","","","has coordinates,has disorder","178596","2020-10-21","18:00:00",""
"4070744","9.1514","0.0007","11.6274","0.0009","14.5092","0.0011","90","","90","","90","","1543.9","0.2","123","2","123","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","07118","","","- C12 H15 B Bi Cl2 F O2 -","- C12 H15 B Bi Cl2 F O2 -","- C48 H60 B4 Bi4 Cl8 F4 O8 -","4","1","","Caires, Christopher C.; Guccione, Samira","Synthesis, Structure, and Reactivity of Borate Ester Coordinated Organobismuth Compounds","Organometallics","2008","27","4","747","","10.1021/om7009792","","","0.71073","MoKα","","0.0222","0.0183","","","0.0345","0.0356","","","","","","0.903","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070745","11.6453","0.0009","13.4108","0.001","24.5109","0.0018","90","","94.063","0.001","90","","3818.3","0.5","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","07131","","","- C36 H45 B3 Bi F3 O6 -","- C36 H45 B3 Bi F3 O6 -","- C144 H180 B12 Bi4 F12 O24 -","4","1","","Caires, Christopher C.; Guccione, Samira","Synthesis, Structure, and Reactivity of Borate Ester Coordinated Organobismuth Compounds","Organometallics","2008","27","4","747","","10.1021/om7009792","","","0.71073","MoKα","","0.036","0.0245","","","0.0589","0.0645","","","","","","1.009","","","","has coordinates,has disorder","178596","2020-10-21","18:00:00",""
"4070746","9.4733","0.0006","13.9288","0.0008","37.941","0.002","90","","90","","90","","5006.4","0.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","07206","","","- C24 H25 B Bi Cl2 F O2 -","- C24 H25 B Bi Cl2 F O2 -","- C192 H200 B8 Bi8 Cl16 F8 O16 -","8","2","","Caires, Christopher C.; Guccione, Samira","Synthesis, Structure, and Reactivity of Borate Ester Coordinated Organobismuth Compounds","Organometallics","2008","27","4","747","","10.1021/om7009792","","","0.71073","MoKα","","0.0366","0.0263","","","0.0526","0.0559","","","","","","1.023","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070747","15.027","0.0016","24.892","0.003","11.7187","0.0012","90","","93.247","0.002","90","","4376.4","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","07202b","","","- C42 H51 B3 Bi Cl2 F3 O6 -","- C42 H51 B3 Bi Cl2 F3 O6 -","- C168 H204 B12 Bi4 Cl8 F12 O24 -","4","1","","Caires, Christopher C.; Guccione, Samira","Synthesis, Structure, and Reactivity of Borate Ester Coordinated Organobismuth Compounds","Organometallics","2008","27","4","747","","10.1021/om7009792","","","0.71073","MoKα","","0.0895","0.0592","","","0.1001","0.1092","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4070748","10.399","0.003","10.701","0.003","11.484","0.003","94.046","0.004","95.697","0.004","118.484","0.003","1107.5","0.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","07237","","","- C24 H25 B Bi F O2 -","- C24 H25 B Bi F O2 -","- C48 H50 B2 Bi2 F2 O4 -","2","1","","Caires, Christopher C.; Guccione, Samira","Synthesis, Structure, and Reactivity of Borate Ester Coordinated Organobismuth Compounds","Organometallics","2008","27","4","747","","10.1021/om7009792","","","0.71073","MoKα","","0.0392","0.0352","","","0.087","0.0892","","","","","","1.016","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070749","9.2167","0.0003","12.9557","0.0005","16.6165","0.0006","90","","95.89","0.002","90","","1973.68","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 Cl2 P2 Pd2 -","- C40 H48 Cl2 P2 Pd2 -","- C80 H96 Cl4 P4 Pd4 -","2","0.5","","Yan, Xiaoyu; Xi, Chanjuan","Synthesis and Characterization of Novel Four-Membered Palladacycles","Organometallics","2008","27","1","152","","10.1021/om700980k","","","0.71073","MoKα","","","0.0617","","","0.1029","0.1279","","","","","","1.005","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070750","14.039","0.003","14.109","0.003","16.251","0.003","87.69","0.03","65.47","0.03","66","0.03","2643","1.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H48 Cl5 Ir N2 O4 P2 -","- C55 H48 Cl5 Ir N2 O4 P2 -","- C110 H96 Cl10 Ir2 N4 O8 P4 -","2","1","","Di Salvo, Florencia; Estrin, Darío A.; Leitus, Gregory; Doctorovich, Fabio","Synthesis, Structure, and Reactivity of Aliphatic Primary Nitrosamines Stabilized by Coordination to [IrCl5]2−","Organometallics","2008","27","9","1985","","10.1021/om700985h","","","0.71073","MoKα","","0.0619","0.0533","","","0.1117","0.1153","","","","","","1.242","","","","has coordinates,has disorder","178596","2020-10-21","18:00:00",""
"4070751","9.936","0.0017","18.012","0.003","13.344","0.002","90","","110.741","0.002","90","","2233.4","0.6","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 B10 Co O4 S2 -","- C15 H23 B10 Co O4 S2 -","- C60 H92 B40 Co4 O16 S8 -","4","1","","Xu, Bao-Hua; Tao, Jing-Cong; Li, Yi-Zhi; Li, Shu-Hua; Yan, Hong","Metal-Induced B−H Bond Activation: Addition of Methyl Acetylene Monocarboxylate to CpCo Half-Sandwich Complexes Containing a Chelating 1,2-Dicarba-closo-dodecaborane-1,2-dichalcogenolate Ligand","Organometallics","2008","27","3","334","","10.1021/om7009864","","","0.71073","MoKα","","0.0914","0.0451","","","0.0663","0.0721","","","","","","0.878","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070752","26.917","0.003","19.9","0.002","13.2375","0.0015","90","","93.859","0.002","90","","7074.6","1.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 B10 Co O4 S2 -","- C15 H23 B10 Co O4 S2 -","- C180 H276 B120 Co12 O48 S24 -","12","3","","Xu, Bao-Hua; Tao, Jing-Cong; Li, Yi-Zhi; Li, Shu-Hua; Yan, Hong","Metal-Induced B−H Bond Activation: Addition of Methyl Acetylene Monocarboxylate to CpCo Half-Sandwich Complexes Containing a Chelating 1,2-Dicarba-closo-dodecaborane-1,2-dichalcogenolate Ligand","Organometallics","2008","27","3","334","","10.1021/om7009864","","","0.71073","MoKα","","0.1117","0.0698","","","0.1361","0.1461","","","","","","1.063","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070753","10.0659","0.0009","18.0533","0.0016","13.4238","0.0012","90","","110.922","0.001","90","","2278.6","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H23 B10 Co O4 Se2 -","- C15 H23 B10 Co O4 Se2 -","- C60 H92 B40 Co4 O16 Se8 -","4","1","","Xu, Bao-Hua; Tao, Jing-Cong; Li, Yi-Zhi; Li, Shu-Hua; Yan, Hong","Metal-Induced B−H Bond Activation: Addition of Methyl Acetylene Monocarboxylate to CpCo Half-Sandwich Complexes Containing a Chelating 1,2-Dicarba-closo-dodecaborane-1,2-dichalcogenolate Ligand","Organometallics","2008","27","3","334","","10.1021/om7009864","","","0.71073","MoKα","","0.0439","0.0368","","","0.0923","0.0947","","","","","","1.008","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070754","6.6368","0.0007","21.23","0.002","13.4715","0.0014","90","","96.437","0.002","90","","1886.2","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 B10 Co O2 Se2 -","- C11 H19 B10 Co O2 Se2 -","- C44 H76 B40 Co4 O8 Se8 -","4","1","","Xu, Bao-Hua; Tao, Jing-Cong; Li, Yi-Zhi; Li, Shu-Hua; Yan, Hong","Metal-Induced B−H Bond Activation: Addition of Methyl Acetylene Monocarboxylate to CpCo Half-Sandwich Complexes Containing a Chelating 1,2-Dicarba-closo-dodecaborane-1,2-dichalcogenolate Ligand","Organometallics","2008","27","3","334","","10.1021/om7009864","","","0.71073","MoKα","","0.0663","0.0388","","","0.0635","0.0666","","","","","","1.008","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070755","9.5889","0.0013","9.6525","0.0013","13.9915","0.0019","72.157","0.002","75.856","0.002","73.25","0.002","1163","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H23 B10 Co O4 Se2 -","- C15 H23 B10 Co O4 Se2 -","- C30 H46 B20 Co2 O8 Se4 -","2","1","","Xu, Bao-Hua; Tao, Jing-Cong; Li, Yi-Zhi; Li, Shu-Hua; Yan, Hong","Metal-Induced B−H Bond Activation: Addition of Methyl Acetylene Monocarboxylate to CpCo Half-Sandwich Complexes Containing a Chelating 1,2-Dicarba-closo-dodecaborane-1,2-dichalcogenolate Ligand","Organometallics","2008","27","3","334","","10.1021/om7009864","","","0.71073","MoKα","","0.0999","0.058","","","0.1037","0.1114","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070756","12.447","0.003","15.072","0.004","15.12","0.004","69.439","0.004","76.291","0.004","78.331","0.004","2558","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C61.5 H65 Fe Lu N2 O2 Si -","- C58 H61 Fe Lu N2 O2 Si -","- C116 H122 Fe2 Lu2 N4 O4 Si2 -","2","1","","Eppinger, Jörg; Nikolaides, Katharina R.; Zhang-Presse, Mei; Riederer, Florian A.; Rabe, Gerd W.; Rheingold, Arnold L.","Alkyl Complexes of Rare-Earth Metal Centers Supported by Chelating 1,1′-Diamidoferrocene Ligands: Synthesis, Structure, and Application in Methacrylate Polymerization","Organometallics","2008","27","4","736","","10.1021/om700988n","","","0.71073","MoKα","","0.0247","0.0234","","","0.0607","0.0613","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070757","15.0409","0.0005","12.3066","0.0005","23.1384","0.0008","90","","98.757","0.0012","90","","4233","0.3","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H61 F6 O P Ru3 -","- C42 H61 F6 O P Ru3 -","- C168 H244 F24 O4 P4 Ru12 -","4","1","","Takao, Toshiro; Moriya, Makoto; Suzuki, Hiroharu","Introduction of a Methoxy Group into a Hydrocarbyl Ligand Derived from a Linear Alkane on a Triruthenium Cluster via Chemical Oxidation","Organometallics","2008","27","1","18","","10.1021/om7009914","","","0.71069","MoKα","","0.0481","0.0374","","","0.0776","0.0815","","","","","","1.048","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070758","15.0877","0.001","18.6584","0.0011","13.8304","0.0011","90","","93.375","0.006","90","","3886.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 B2 Br4 Fe -","- C15 H18 B2 Br4 Fe -","- C120 H144 B16 Br32 Fe8 -","8","2","","Eckensberger, U. David; Kunz, Kerstin; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Structural Characterization of the Diborylated Organometallics 1,3-Bis(dibromoboryl)-1′,2′,3′,4′,5′-(pentamethyl)ferrocene and 1,3-Bis(dibromoboryl)cymantrene","Organometallics","2008","27","4","764","","10.1021/om700995q","","","0.71073","MoKα","","0.0983","0.0709","","","0.1557","0.1701","","","","","","1.096","","","","has coordinates,has disorder","178596","2020-10-21","18:00:00",""
"4070759","6.7882","0.0011","10.6733","0.0019","11.313","0.002","100.226","0.014","105.977","0.014","105.209","0.013","732.3","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H3 B2 Br4 Mn O3 -","- C8 H3 B2 Br4 Mn O3 -","- C16 H6 B4 Br8 Mn2 O6 -","2","1","","Eckensberger, U. David; Kunz, Kerstin; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Synthesis and Structural Characterization of the Diborylated Organometallics 1,3-Bis(dibromoboryl)-1′,2′,3′,4′,5′-(pentamethyl)ferrocene and 1,3-Bis(dibromoboryl)cymantrene","Organometallics","2008","27","4","764","","10.1021/om700995q","","","0.71073","MoKα","","0.0823","0.0686","","","0.168","0.1779","","","","","","1.076","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070760","15.6216","0.0012","17.8559","0.0016","20.3673","0.0016","90","","90","","90","","5681.2","0.8","297","2","297","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C31 H35 Ir N2 O2 S -","- C31 H35 Ir N2 O2 S -","- C248 H280 Ir8 N16 O16 S8 -","8","1","","Heiden, Zachariah M.; Gorecki, Bradford J.; Rauchfuss, Thomas B.","Lewis Base Adducts Derived from Transfer Hydrogenation Catalysts: Scope and Selectivity","Organometallics","2008","27","7","1542","","10.1021/om700996m","","","0.71073","MoKα","","0.0768","0.0402","","","0.0835","0.1096","","","","","","1.259","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070761","10.363","0.0004","11.7165","0.0005","16.5434","0.0007","72.085","0.002","77.22","0.002","66.401","0.002","1740.32","0.13","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H39 F6 Ir N3 O2 P S -","- C33 H39 F6 Ir N3 O2 P S -","- C66 H78 F12 Ir2 N6 O4 P2 S2 -","2","1","","Heiden, Zachariah M.; Gorecki, Bradford J.; Rauchfuss, Thomas B.","Lewis Base Adducts Derived from Transfer Hydrogenation Catalysts: Scope and Selectivity","Organometallics","2008","27","7","1542","","10.1021/om700996m","","","0.71073","MoKα","","0.039","0.0289","","","0.0534","0.057","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4070762","9.7323","0.0005","10.0866","0.0005","14.1647","0.0007","91.517","0.003","99.724","0.003","97.879","0.003","1355.82","0.12","297","2","297","2","","","","","","","","8","P 1","P 1","1","","","","- C24 H34 B F4 Ir N2 O3 S -","- C24 H34 B F4 Ir N2 O3 S -","- C48 H68 B2 F8 Ir2 N4 O6 S2 -","2","2","","Heiden, Zachariah M.; Gorecki, Bradford J.; Rauchfuss, Thomas B.","Lewis Base Adducts Derived from Transfer Hydrogenation Catalysts: Scope and Selectivity","Organometallics","2008","27","7","1542","","10.1021/om700996m","","","0.71073","MoKα","","0.0301","0.0236","","","0.0476","0.0495","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070763","36.864","0.003","14.3073","0.0013","19.1093","0.0016","90","","94.217","0.005","90","","10051.4","1.5","297","2","297","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C49 H51 B F4 Ir N2 O2 P S -","- C49 H51 B F4 Ir N2 O2 P S -","- C392 H408 B8 F32 Ir8 N16 O16 P8 S8 -","8","1","","Heiden, Zachariah M.; Gorecki, Bradford J.; Rauchfuss, Thomas B.","Lewis Base Adducts Derived from Transfer Hydrogenation Catalysts: Scope and Selectivity","Organometallics","2008","27","7","1542","","10.1021/om700996m","","","0.71073","MoKα","","0.1997","0.1268","","","0.3314","0.3654","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070764","13.4004","0.0003","16.9251","0.0003","28.495","0.0006","90","","90","","90","","6462.8","0.2","297","2","297","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C32 H36 B F4 Ir N2 O3 S -","- C32 H36 B F4 Ir N2 O3 S -","- C256 H288 B8 F32 Ir8 N16 O24 S8 -","8","1","","Heiden, Zachariah M.; Gorecki, Bradford J.; Rauchfuss, Thomas B.","Lewis Base Adducts Derived from Transfer Hydrogenation Catalysts: Scope and Selectivity","Organometallics","2008","27","7","1542","","10.1021/om700996m","","","0.71073","MoKα","","0.0563","0.0281","","","0.0549","0.0657","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070765","10.73","0.0004","10.8762","0.0004","15.795","0.0006","94.397","0.002","97.846","0.002","105.071","0.002","1751.08","0.12","297","2","297","2","","","","","","","","8","P -1","-P 1","2","","","","- C33 H42 B F4 Ir N4 O2 S -","- C33 H42 B F4 Ir N4 O2 S -","- C66 H84 B2 F8 Ir2 N8 O4 S2 -","2","1","","Heiden, Zachariah M.; Gorecki, Bradford J.; Rauchfuss, Thomas B.","Lewis Base Adducts Derived from Transfer Hydrogenation Catalysts: Scope and Selectivity","Organometallics","2008","27","7","1542","","10.1021/om700996m","","","0.71073","MoKα","","0.0431","0.0318","","","0.0636","0.0679","","","","","","1.059","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070766","19.8057","0.0002","18.9645","0.0007","5.3313","0.0004","90","","90","","90","","2002.46","0.17","150","1","150","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C27 H22 N2 Pt -","- C27 H22 N2 Pt -","- C108 H88 N8 Pt4 -","4","0.5","","De Crisci, Antonio G.; Lough, Alan J.; Multani, Kanwarpal; Fekl, Ulrich","9,10-Dihydroplatinaanthracenes with Aromatic Diimine Ligands: Syntheses and Spectroscopic and Computational Studies of New Luminescent Materials","Organometallics","2008","27","8","1765","","10.1021/om700997v","","","0.71073","MoKα","","0.0594","0.0357","","","0.0759","0.0855","","","","","","1.073","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070767","13.265","0.005","24.412","0.01","13.705","0.006","90","","106.586","0.006","90","","4253","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H47 Cl5 Ir3 N3 S3 -","- C34 H45 Cl5 Ir3 N3 S3 -","- C136 H180 Cl20 Ir12 N12 S12 -","4","1","","Han, Ying-Feng; Huang, Yuan-Biao; Lin, Yue-Jian; Jin, Guo-Xin","Synthesis, Characterization, and Norbornene Polymerization Behavior of the Half-Sandwich Complexes [Cp*3M3(μ3-L)Cl3] and [Cp*M(2-SPyH)Cl2] (M = Ir, M = Rh, [L]3−= 1,3,5-Triazine-2,4,6-trithiolato, 2-SPy = 2-Pyridinethione)","Organometallics","2008","27","5","961","","10.1021/om7010003","","","0.71073","MoKα","","0.0656","0.0503","","","0.119","0.1273","","","","","","1.017","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070768","13.24","0.005","24.318","0.006","13.666","0.003","90","","106.61","0.02","90","","4216","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H46 Cl6 N3 Rh3 S3 -","- C34 H46 Cl6 N3 Rh3 S3 -","- C136 H184 Cl24 N12 Rh12 S12 -","4","1","","Han, Ying-Feng; Huang, Yuan-Biao; Lin, Yue-Jian; Jin, Guo-Xin","Synthesis, Characterization, and Norbornene Polymerization Behavior of the Half-Sandwich Complexes [Cp*3M3(μ3-L)Cl3] and [Cp*M(2-SPyH)Cl2] (M = Ir, M = Rh, [L]3−= 1,3,5-Triazine-2,4,6-trithiolato, 2-SPy = 2-Pyridinethione)","Organometallics","2008","27","5","961","","10.1021/om7010003","","","0.71073","MoKα","","0.0602","0.044","","","0.1205","0.1319","","","","","","1.042","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070769","9.11","0.04","16","0.07","23.7","0.1","90","","90","","90","","3455","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Cl2 Ir N S -","- C15 H20 Cl2 Ir N S -","- C120 H160 Cl16 Ir8 N8 S8 -","8","1","","Han, Ying-Feng; Huang, Yuan-Biao; Lin, Yue-Jian; Jin, Guo-Xin","Synthesis, Characterization, and Norbornene Polymerization Behavior of the Half-Sandwich Complexes [Cp*3M3(μ3-L)Cl3] and [Cp*M(2-SPyH)Cl2] (M = Ir, M = Rh, [L]3−= 1,3,5-Triazine-2,4,6-trithiolato, 2-SPy = 2-Pyridinethione)","Organometallics","2008","27","5","961","","10.1021/om7010003","","","0.71073","MoKα","","0.0461","0.0305","","","0.0651","0.0682","","","","","","0.91","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070770","9.0377","0.0016","16.064","0.003","23.757","0.005","90","","90","","90","","3449.1","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H20 Cl2 N Rh S -","- C15 H20 Cl2 N Rh S -","- C120 H160 Cl16 N8 Rh8 S8 -","8","1","","Han, Ying-Feng; Huang, Yuan-Biao; Lin, Yue-Jian; Jin, Guo-Xin","Synthesis, Characterization, and Norbornene Polymerization Behavior of the Half-Sandwich Complexes [Cp*3M3(μ3-L)Cl3] and [Cp*M(2-SPyH)Cl2] (M = Ir, M = Rh, [L]3−= 1,3,5-Triazine-2,4,6-trithiolato, 2-SPy = 2-Pyridinethione)","Organometallics","2008","27","5","961","","10.1021/om7010003","","","0.71073","MoKα","","0.037","0.031","","","0.0763","0.0801","","","","","","1.175","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070771","13.0031","0.0004","18.1724","0.0006","20.0288","0.0007","90","","90","","90","","4732.8","0.3","295","2","568","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Cl Ir N2 O2 -","- C25 H32 Cl Ir N2 O2 -","- C200 H256 Cl8 Ir8 N16 O16 -","8","2","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.0279","0.0255","","","0.0701","0.0726","","","","","","1.053","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070772","12.4944","0.0004","24.3224","0.0008","20.9102","0.0007","90","","91.612","0.001","90","","6352","0.4","396","2","396","2","","","","","","","","5","P 1 21 1","P 2yb","4","[Ir(IAd)(COD)Cl]","","","- C32.5 H46.5 Cl4 Ir N2 -","- C32.5 H46.5 Cl4 Ir N2 -","- C260 H372 Cl32 Ir8 N16 -","8","4","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.0315","0.0298","","","0.0763","0.0779","","","","","","0.915","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070773","14.3072","0.0016","23.352","0.003","12.2214","0.0014","90","","90","","90","","4083.2","0.8","298","2","298","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C17 H24 Cl Ir N2 O2 -","- C17 H24 Cl Ir N2 O2 -","- C136 H192 Cl8 Ir8 N16 O16 -","8","2","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.0472","0.0409","","","0.1023","0.1086","","","","","","0.903","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070774","19.933","0.001","19.933","0.001","11.6274","0.0011","90","","90","","90","","4619.9","0.5","150","2","150","2","","","","","","","","5","P -4 21 c","P -4 2n","114","[Ir(ICy)(COD)Cl]","","","- C23 H36 Cl Ir N2 -","- C23 H36 Cl Ir N2 -","- C184 H288 Cl8 Ir8 N16 -","8","1","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.0438","0.037","","","0.0881","0.0904","","","","","","1.077","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070775","8.4763","0.0009","22.859","0.003","24.204","0.003","87.743","0.002","85.699","0.002","85.32","0.002","4658.4","1","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H24 Cl Ir N2 O2 -","- C23 H24 Cl Ir N2 O2 -","- C184 H192 Cl8 Ir8 N16 O16 -","8","4","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.0728","0.053","","","0.1231","0.1309","","","","","","0.982","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070776","17.7478","0.0008","24.1169","0.0011","12.8696","0.0006","90","","92.217","0.001","90","","5504.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30.25 H39 Cl Ir N2 -","- C30.25 H39 Cl Ir N2 -","- C242 H312 Cl8 Ir8 N16 -","8","2","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.0256","0.0239","","","0.0526","0.0532","","","","","","1.219","","","","has coordinates,has disorder","178596","2020-10-21","18:00:00",""
"4070777","10.6033","0.0004","15.1588","0.0005","18.2189","0.0006","90","","97.654","0.001","90","","2902.29","0.17","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","[Ir(IPr)(CO)2Cl]","","","- C29 H36 Cl Ir N2 O2 -","- C29 H36 Cl Ir N2 O2 -","- C116 H144 Cl4 Ir4 N8 O8 -","4","1","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.0253","0.0201","","","0.0454","0.0481","","","","","","1.124","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070778","16.6208","0.0006","10.5366","0.0004","37.9569","0.0013","90","","102.585","0.001","90","","6487.6","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","[Ir(IPr)(COD)Cl]","","","- C35 H48 Cl Ir N2 -","- C35 H48 Cl Ir N2 -","- C280 H384 Cl8 Ir8 N16 -","8","2","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.0269","0.0256","","","0.0593","0.0599","","","","","","1.117","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070779","10.7068","0.0007","10.3756","0.0007","14.2075","0.0009","90","","90","","90","","1578.3","0.18","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","[Ir(ItBu)(CO)2Cl]","","","- C13 H20 Cl Ir N2 O2 -","- C13 H20 Cl Ir N2 O2 -","- C52 H80 Cl4 Ir4 N8 O8 -","4","1","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.026","0.0253","","","0.0614","0.0618","","","","","","1.042","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070780","11.2083","0.0004","19.4111","0.0006","17.7588","0.0006","90","","91.478","0.001","90","","3862.4","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ir(ItBu)(COD)Cl]","","","- C19 H32 Cl Ir N2 -","- C19 H32 Cl Ir N2 -","- C152 H256 Cl8 Ir8 N16 -","8","2","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.0197","0.0194","","","0.0491","0.0493","","","","","","1.101","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070781","24.62","0.003","24.621","0.004","8.4498","0.0011","90","","90","","90","","5122","1.2","298","2","298","2","","","","","","","","6","I b a 2","I 2 -2c","45","","","","- C23 H26 Cl Ir N2 O2 -","- C23 H26 Cl Ir N2 O2 -","- C184 H208 Cl8 Ir8 N16 O16 -","8","1","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.0546","0.0345","","","0.076","0.0794","","","","","","0.934","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070782","15.4063","0.0012","11.8278","0.001","15.0331","0.0012","90","","107.026","0.001","90","","2619.3","0.4","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","[Ir(SIMes)(COD)Cl]","","","- C29 H38 Cl Ir N2 -","- C29 H38 Cl Ir N2 -","- C116 H152 Cl4 Ir4 N8 -","4","1","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.014","0.0139","","","0.0319","0.0319","","","","","","1.141","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070783","17.5695","0.0007","17.5041","0.0007","18.9325","0.0008","90","","101.245","0.001","90","","5710.7","0.4","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[Ir(SIPr)(CO)2Cl]","","","- C29 H38 Cl Ir N2 O2 -","- C29 H38 Cl Ir N2 O2 -","- C232 H304 Cl8 Ir8 N16 O16 -","8","2","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.02","0.0179","","","0.0406","0.0415","","","","","","1.058","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070784","16.7211","0.0008","10.5462","0.0005","38.526","0.002","90","","102.481","0.001","90","","6633.3","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H50 Cl Ir N2 -","- C35 H50 Cl Ir N2 -","- C280 H400 Cl8 Ir8 N16 -","8","2","","Kelly III, Roy A.; Clavier, Hervé; Giudice, Simona; Scott, Natalie M.; Stevens, Edwin D.; Bordner, Jon; Samardjiev, Ivan; Hoff, Carl D.; Cavallo, Luigi; Nolan, Steven P.","Determination of N-Heterocyclic Carbene (NHC) Steric and Electronic Parameters using the [(NHC)Ir(CO)2Cl] System","Organometallics","2008","27","2","202","","10.1021/om701001g","","","0.71073","MoKα","","0.0341","0.0277","","","0.0673","0.0714","","","","","","0.472","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070785","10.0468","0.0005","10.3024","0.0004","17.0558","0.0005","104.11","0.001","94.399","0.002","115.674","0.0008","1509.15","0.11","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H52 O Si4 -","- C26 H52 O Si4 -","- C52 H104 O2 Si8 -","2","1","","Naka, Akinobu; Motoike, Shingo; Senba, Norihito; Ohshita, Joji; Kunai, Atsutaka; Yoshizawa, Kazunari; Ishikawa, Mitsuo","Silicon−Carbon Unsaturated Compounds. 74. Thermal Behavior of 1-Silacyclobut-3-enes Generated from the Reaction of Acylpolysilanes withtert-Butylacetylene","Organometallics","2008","27","12","2750","","10.1021/om701005b","","","0.7107","MoKα","","","0.0405","","","","0.1147","","","","","","1.774","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070786","9.5333","0.0015","13.396","0.002","14.371","0.002","82.678","0.003","81.324","0.003","70.564","0.002","1705","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H52 O Si6 -","- C23 H56 O Si6 -","- C46 H112 O2 Si12 -","2","1","","Lim, Young Mook; Lee, Myong Euy","An Unexpected Ring Contraction: Phenylsilane to Silacyclopentane","Organometallics","2008","27","5","1000","","10.1021/om701009d","","","0.71073","MoKα","","0.1166","0.0596","","","0.1127","0.1289","","","","","","0.969","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070787","9.33","0.005","13.422","0.007","14.544","0.008","82.699","0.01","82.082","0.01","71.186","0.009","1700.9","1.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H56 O Si6 -","- C23 H56 O Si6 -","- C46 H112 O2 Si12 -","2","1","","Lim, Young Mook; Lee, Myong Euy","An Unexpected Ring Contraction: Phenylsilane to Silacyclopentane","Organometallics","2008","27","5","1000","","10.1021/om701009d","","","0.71073","MoKα","","0.1206","0.066","","","0.1583","0.1756","","","","","","0.972","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070788","10.0783","0.0008","14.8443","0.001","11.2553","0.001","90","","95.166","0.007","90","","1677","0.2","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H53 N3 O2 Si2 Sr -","- C27 H53 N3 O2 Si2 Sr -","- C54 H106 N6 O4 Si4 Sr2 -","2","1","","Datta, Simmi; Gamer, Michael T.; Roesky, Peter W.","Aminotroponiminate Complexes of the Heavy Alkaline Earth and the Divalent Lanthanide Metals as Catalysts for the Hydroamination/Cyclization Reaction","Organometallics","2008","27","6","1207","","10.1021/om701014d","","","0.71073","MoKα","","0.0465","0.0377","","","0.0831","0.0872","","","","","","1.003","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4070789","15.9678","0.0015","11.0432","0.0008","19.2699","0.0015","90","","90","","90","","3398","0.5","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H54 N4 O2 Sr -","- C34 H54 N4 O2 Sr -","- C136 H216 N16 O8 Sr4 -","4","0.5","","Datta, Simmi; Gamer, Michael T.; Roesky, Peter W.","Aminotroponiminate Complexes of the Heavy Alkaline Earth and the Divalent Lanthanide Metals as Catalysts for the Hydroamination/Cyclization Reaction","Organometallics","2008","27","6","1207","","10.1021/om701014d","","","0.71073","MoKα","","0.0862","0.0466","","","0.0899","0.1013","","","","","","1.002","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070790","15.5788","0.001","11.1267","0.0007","19.8676","0.0011","90","","90","","90","","3443.9","0.4","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H54 Ba N4 O2 -","- C34 H54 Ba N4 O2 -","- C136 H216 Ba4 N16 O8 -","4","0.5","","Datta, Simmi; Gamer, Michael T.; Roesky, Peter W.","Aminotroponiminate Complexes of the Heavy Alkaline Earth and the Divalent Lanthanide Metals as Catalysts for the Hydroamination/Cyclization Reaction","Organometallics","2008","27","6","1207","","10.1021/om701014d","","","0.71073","MoKα","","0.0368","0.0252","","","0.0643","0.0678","","","","","","1.001","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070791","10.0714","0.0008","14.8719","0.0009","11.2287","0.0009","90","","95.272","0.006","90","","1674.7","0.2","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H53 Eu N3 O2 Si2 -","- C27 H53 Eu N3 O2 Si2 -","- C54 H106 Eu2 N6 O4 Si4 -","2","1","","Datta, Simmi; Gamer, Michael T.; Roesky, Peter W.","Aminotroponiminate Complexes of the Heavy Alkaline Earth and the Divalent Lanthanide Metals as Catalysts for the Hydroamination/Cyclization Reaction","Organometallics","2008","27","6","1207","","10.1021/om701014d","","","0.71073","MoKα","","0.0239","0.0207","","","0.0528","0.0536","","","","","","1.003","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4070792","9.981","0.0005","14.7544","0.0011","11.2266","0.0007","90","","96.299","0.005","90","","1643.29","0.18","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H53 N3 O2 Si2 Yb -","- C27 H53 N3 O2 Si2 Yb -","- C54 H106 N6 O4 Si4 Yb2 -","2","1","","Datta, Simmi; Gamer, Michael T.; Roesky, Peter W.","Aminotroponiminate Complexes of the Heavy Alkaline Earth and the Divalent Lanthanide Metals as Catalysts for the Hydroamination/Cyclization Reaction","Organometallics","2008","27","6","1207","","10.1021/om701014d","","","0.71073","MoKα","","0.0609","0.0555","","","0.1638","0.168","","","","","","1.034","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070793","8.486","0.002","10.7559","0.0019","15.5117","0.0015","94.743","0.011","103.313","0.012","109.504","0.017","1278.9","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H23 B N2 O3 P Re S -","- C25 H23 B N2 O3 P Re S -","- C50 H46 B2 N4 O6 P2 Re2 S2 -","2","1","","Videira, Margarida; Maria, Leonor; Paulo, António; Santos, Isabel C.; Santos, Isabel; Vaz, Pedro D.; Calhorda, Maria José","Mixed-Ligand Rhenium Tricarbonyl Complexes Anchored on a (κ2-H,S) Trihydro(mercaptoimidazolyl)borate: A Missing Binding Motif for Soft Scorpionates","Organometallics","2008","27","6","1334","","10.1021/om701016y","","","0.71069","MoKα","","0.0384","0.0287","","","0.0626","0.0648","","","","","","1.022","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070794","7.5985","0.0011","41.416","0.006","7.2772","0.0011","90","","106.158","0.002","90","","2199.7","0.6","130","2","403","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 N2 O4 Si -","- C23 H26 N2 O4 Si -","- C92 H104 N8 O16 Si4 -","4","1","","Spiniello, Marisa; White, Jonathan M.","Structural Investigations into the β-Effect of Pentavalent Silicon","Organometallics","2008","27","5","994","","10.1021/om701017q","","","0.71073","MoKα","","0.0572","0.0551","","","0.1393","0.1402","","","","","","1.323","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070795","9.341","0.001","10.443","0.001","11.71","0.004","90","","99.72","0.02","90","","1125.9","0.4","200","2","200","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C23 H25 N3 O6 Si -","- C23 H25 N3 O6 Si -","- C46 H50 N6 O12 Si2 -","2","1","","Spiniello, Marisa; White, Jonathan M.","Structural Investigations into the β-Effect of Pentavalent Silicon","Organometallics","2008","27","5","994","","10.1021/om701017q","","","1.5418","CuKα","","0.0334","0.0314","","","0.0822","0.084","","","","","","1.055","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070796","7.584","0.001","13.923","0.002","20.265","0.003","90","","91.37","0.02","90","","2139.2","0.5","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 N2 O4 Si -","- C23 H26 N2 O4 Si -","- C92 H104 N8 O16 Si4 -","4","1","","Spiniello, Marisa; White, Jonathan M.","Structural Investigations into the β-Effect of Pentavalent Silicon","Organometallics","2008","27","5","994","","10.1021/om701017q","","","1.5418","CuKα","","0.0532","0.0484","","","0.1285","0.1332","","","","","","1.053","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070797","7.9659","0.0006","12.0238","0.001","15.14","0.0013","100.165","0.007","94.558","0.007","96.371","0.007","1411.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 Au Fe2 P -","- C34 H28 Au Fe2 P -","- C68 H56 Au2 Fe4 P2 -","2","1","","Packheiser, Rico; Jakob, Alexander; Ecorchard, Petra; Walfort, Bernhard; Lang, Heinrich","Diphenylphosphinoferrocene Gold(I) Acetylides: Synthesis of Heterotri- and Heterotetrametallic Transition Metal Complexes","Organometallics","2008","27","6","1214","","10.1021/om701021y","","","0.71073","MoKα","","0.0316","0.0231","","","0.0535","0.0558","","","","","","0.999","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070798","8.2561","0.0008","11.9946","0.0014","14.9913","0.0019","99.395","0.01","93.651","0.009","96.474","0.009","1450.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 Au Fe P Ru -","- C34 H28 Au Fe P Ru -","- C68 H56 Au2 Fe2 P2 Ru2 -","2","1","","Packheiser, Rico; Jakob, Alexander; Ecorchard, Petra; Walfort, Bernhard; Lang, Heinrich","Diphenylphosphinoferrocene Gold(I) Acetylides: Synthesis of Heterotri- and Heterotetrametallic Transition Metal Complexes","Organometallics","2008","27","6","1214","","10.1021/om701021y","","","0.71073","MoKα","","0.056","0.0258","","","0.0449","0.0476","","","","","","0.823","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070799","9.0155","0.001","13.2674","0.0015","14.053","0.0016","89.565","0.002","85.665","0.002","72.289","0.002","1596.5","0.3","203","2","203","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H28 Au Cl2 Fe N2 P -","- C35 H28 Au Cl2 Fe N2 P -","- C70 H56 Au2 Cl4 Fe2 N4 P2 -","2","1","","Packheiser, Rico; Jakob, Alexander; Ecorchard, Petra; Walfort, Bernhard; Lang, Heinrich","Diphenylphosphinoferrocene Gold(I) Acetylides: Synthesis of Heterotri- and Heterotetrametallic Transition Metal Complexes","Organometallics","2008","27","6","1214","","10.1021/om701021y","","","0.71073","MoKα","","0.0436","0.0338","","","0.0839","0.0883","","","","","","1.011","","","","has coordinates","178596","2020-10-21","18:00:00",""
"4070800","16.9879","0.0008","21.3635","0.0011","22.9555","0.0011","98.857","0.001","95.766","0.001","105.072","0.001","7861.9","0.7","183","2","183","2","","","","","","","","10","P -1","-P 1","2","","","","- C60 H70 Au Cu F6 Fe N2 P2 Si4 Ti -","- C60 H70 Au Cu F6 Fe N2 P2 Si4 Ti -","- C240 H280 Au4 Cu4 F24 Fe4 N8 P8 Si16 Ti4 -","4","2","","Packheiser, Rico; Jakob, Alexander; Ecorchard, Petra; Walfort, Bernhard; Lang, Heinrich","Diphenylphosphinoferrocene Gold(I) Acetylides: Synthesis of Heterotri- and Heterotetrametallic Transition Metal Complexes","Organometallics","2008","27","6","1214","","10.1021/om701021y","","","0.71073","MoKα","","0.1436","0.0737","","","0.1979","0.2268","","","","","","0.962","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070801","8.993","0.002","12.464","0.003","31.133","0.008","90","","90.645","0.005","90","","3489.4","1.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 Au Fe I N2 P -","- C36 H37 Au Fe I N2 P -","- C144 H148 Au4 Fe4 I4 N8 P4 -","4","1","","Packheiser, Rico; Jakob, Alexander; Ecorchard, Petra; Walfort, Bernhard; Lang, Heinrich","Diphenylphosphinoferrocene Gold(I) Acetylides: Synthesis of Heterotri- and Heterotetrametallic Transition Metal Complexes","Organometallics","2008","27","6","1214","","10.1021/om701021y","","","0.71073","MoKα","","0.0453","0.0344","","","0.0861","0.093","","","","","","1.049","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070802","25.095","0.002","9.5949","0.0008","21.9949","0.0014","90","","102.725","0.006","90","","5165.9","0.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H23 Au Fe N P -","- C31 H23 Au Fe N P -","- C248 H184 Au8 Fe8 N8 P8 -","8","1","","Packheiser, Rico; Jakob, Alexander; Ecorchard, Petra; Walfort, Bernhard; Lang, Heinrich","Diphenylphosphinoferrocene Gold(I) Acetylides: Synthesis of Heterotri- and Heterotetrametallic Transition Metal Complexes","Organometallics","2008","27","6","1214","","10.1021/om701021y","","","0.71073","MoKα","","0.0454","0.0235","","","0.0487","0.0519","","","","","","0.989","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070803","8.8307","0.0011","13.1779","0.0015","30.571","0.004","90","","90","","90","","3557.5","0.8","115","2","115","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","Resolved Pd bis(ADC) dibromide","","","- C34 H36 Br2 F6 N4 O2 Pd -","- C34 H36 Br2 F6 N4 O2 Pd -","- C136 H144 Br8 F24 N16 O8 Pd4 -","4","1","","Wanniarachchi, Yoshitha A.; Kogiso, Yuri; Slaughter, LeGrande M.","Chiral Palladium Bis(acyclic diaminocarbene) Complexes as Enantioselective Catalysts for the Aza-Claisen Rearrangement","Organometallics","2008","27","1","21","","10.1021/om701029j","","x-ray","0.71073","MoKα","","0.0382","0.0324","","","0.0743","0.0766","","","","","","1.082","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070804","20.384","0.006","22.015","0.007","24.629","0.008","90","","90","","90","","11052","6","293","2","293","2","","","","","","","","7","P n n m","-P 2 2n","58","","","","- C55 H85 B30 Cl3 N6 Ru3 S6 -","- C55 H70 B30 Cl3 N6 Ru3 S6 -","- C220 H280 B120 Cl12 N24 Ru12 S24 -","4","0.5","","Zhang, Jia-Sheng; Liu, Shuang; Wang, Guo-Liang; Lin, Yue-Jian; Jin, Guo-Xin","Self-Assembly of Trinuclear Half-Sandwich Metal (Co and Ru) Complexes Containing Ancillaryortho-Carborane-1,2-dithiolato Ligands","Organometallics","2008","27","6","1112","","10.1021/om701031w","","","0.71073","MoKα","","0.1114","0.0452","","","0.1089","0.1166","","","","","","0.772","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070805","34.927","0.006","34.927","0.006","16.073","0.004","90","","90","","90","","19607","7","293","2","293","2","","","","","","","","6","P 42/n c m :2","-P 4ac 2ac","138","","","","- C54 H87 B30 Co3 N6 S6 -","- C54 H72 B30 Co3 N6 S6 -","- C432 H576 B240 Co24 N48 S48 -","8","0.5","","Zhang, Jia-Sheng; Liu, Shuang; Wang, Guo-Liang; Lin, Yue-Jian; Jin, Guo-Xin","Self-Assembly of Trinuclear Half-Sandwich Metal (Co and Ru) Complexes Containing Ancillaryortho-Carborane-1,2-dithiolato Ligands","Organometallics","2008","27","6","1112","","10.1021/om701031w","","","0.71073","MoKα","","0.1402","0.0748","","","0.2184","0.2483","","","","","","1.03","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070806","26.785","0.013","11.49","0.006","37.643","0.018","90","","90","","90","","11585","10","173","2","293","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C99 H141 B30 Co3 N6 S9 -","- C99 H141 B30 Co3 N6 S9 -","- C396 H564 B120 Co12 N24 S36 -","4","1","","Zhang, Jia-Sheng; Liu, Shuang; Wang, Guo-Liang; Lin, Yue-Jian; Jin, Guo-Xin","Self-Assembly of Trinuclear Half-Sandwich Metal (Co and Ru) Complexes Containing Ancillaryortho-Carborane-1,2-dithiolato Ligands","Organometallics","2008","27","6","1112","","10.1021/om701031w","","","0.71073","MoKα","","0.1222","0.0746","","","0.1385","0.1543","","","","","","1.045","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070807","26.785","0.013","11.49","0.006","37.643","0.018","90","","90","","90","","11585","10","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C99 H141 B30 Co3 N6 S9 -","- C99 H141 B30 Co3 N6 S9 -","- C396 H564 B120 Co12 N24 S36 -","4","1","","Zhang, Jia-Sheng; Liu, Shuang; Wang, Guo-Liang; Lin, Yue-Jian; Jin, Guo-Xin","Self-Assembly of Trinuclear Half-Sandwich Metal (Co and Ru) Complexes Containing Ancillaryortho-Carborane-1,2-dithiolato Ligands","Organometallics","2008","27","6","1112","","10.1021/om701031w","","","0.71073","MoKα","","0.0922","0.0646","","","0.1275","0.1379","","","","","","1.058","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070808","8.817","0.005","10.72","0.005","10.796","0.005","90.095","0.009","103.026","0.009","99.885","0.008","978.5","0.9","180","2","180","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H30 N4 -","- C21 H30 N4 -","- C42 H60 N8 -","2","1","","Otero, Antonio; Fernández-Baeza, Juan; Antiñolo, Antonio; Lara-Sánchez, Agustín; Martínez-Caballero, Emilia; Tejeda, Juan; Sánchez-Barba, Luis F.; Alonso-Moreno, Carlos; López-Solera, Isabel","Scandium and Yttrium Complexes Supported by NNCp Heteroscorpionate Ligands: Synthesis, Structure, and Polymerization of ϵ-Caprolactone","Organometallics","2008","27","5","976","","10.1021/om701033r","","","0.71073","MoKα","","0.0811","0.0615","","","0.1564","0.1802","","","","","","0.947","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070809","12.093","0.002","12.191","0.002","17.037","0.003","83.874","0.003","70.672","0.003","67.402","0.002","2187.6","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H65 N4 Sc Si2 -","- C43 H65 N4 Sc Si2 -","- C86 H130 N8 Sc2 Si4 -","2","1","","Otero, Antonio; Fernández-Baeza, Juan; Antiñolo, Antonio; Lara-Sánchez, Agustín; Martínez-Caballero, Emilia; Tejeda, Juan; Sánchez-Barba, Luis F.; Alonso-Moreno, Carlos; López-Solera, Isabel","Scandium and Yttrium Complexes Supported by NNCp Heteroscorpionate Ligands: Synthesis, Structure, and Polymerization of ϵ-Caprolactone","Organometallics","2008","27","5","976","","10.1021/om701033r","","","0.71073","MoKα","","0.0697","0.0475","","","0.1166","0.1334","","","","","","1.023","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070810","11.967","0.002","19.929","0.004","20.267","0.004","62.708","0.004","76.801","0.004","75.315","0.004","4119.6","1.4","120","2","120","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C34 H58 B F4 Mo2 O7 P3 -","- C34 H58 B F4 Mo2 O7 P3 -","- C136 H232 B4 F16 Mo8 O28 P12 -","4","2","","García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Chemistry of Unsaturated Group 6 Metal Complexes with Bridging Hydroxy and Methoxycarbyne Ligands. 3. Formation and Cleavage of C−C and C−O Bonds in the Reactions of the Complexes [Mo2Cp2(µ-COMe)(µ-COR)(µ-PCy2)]BF4(R = Me, Et)","Organometallics","2008","27","4","543","","10.1021/om7010358","","x-ray","0.71073","MoKα","","0.1001","0.0496","","","0.1075","0.1225","","","","","","0.923","","","","has coordinates,has disorder","304654","2026-02-27","09:09:29",""
"4070811","9.819","0.002","11.145","0.002","12.932","0.003","73.307","0.004","76.161","0.003","86.211","0.003","1316.2","0.5","100","0.1","100","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C27 H35 Mo2 O4 P -","- C27 H35 Mo2 O4 P -","- C54 H70 Mo4 O8 P2 -","2","1","","García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Chemistry of Unsaturated Group 6 Metal Complexes with Bridging Hydroxy and Methoxycarbyne Ligands. 3. Formation and Cleavage of C−C and C−O Bonds in the Reactions of the Complexes [Mo2Cp2(µ-COMe)(µ-COR)(µ-PCy2)]BF4(R = Me, Et)","Organometallics","2008","27","4","543","","10.1021/om7010358","","x-ray","0.71073","MoKα","","0.0671","0.0506","","","0.119","0.1262","","","","","","1.064","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070812","17.9342","0.0009","14.7605","0.0005","13.571","0.0007","90","","99.491","0.002","90","","3543.3","0.3","100","2","100","2","","","","","","","synthesis as described","9","P 1 21/c 1","-P 2ybc","14","","","","- C31 H40 B Cl2 F4 Mo2 O6 P Ru -","- C31 H40 B Cl2 F4 Mo2 O6 P Ru -","- C124 H160 B4 Cl8 F16 Mo8 O24 P4 Ru4 -","4","1","","García, M. Esther; García-Vivó, Daniel; Ruiz, Miguel A.","Chemistry of Unsaturated Group 6 Metal Complexes with Bridging Hydroxy and Methoxycarbyne Ligands. 3. Formation and Cleavage of C−C and C−O Bonds in the Reactions of the Complexes [Mo2Cp2(µ-COMe)(µ-COR)(µ-PCy2)]BF4(R = Me, Et)","Organometallics","2008","27","4","543","","10.1021/om7010358","","x-ray","0.71073","MoKα","","0.0599","0.0361","","","0.0807","0.0952","","","","","","1.061","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070813","8.762","0.0018","9.246","0.0018","12.34","0.003","77.45","0.03","83.69","0.03","63.81","0.03","875.5","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H54 Cl2 N4 P2 Si6 -","- C18 H54 Cl2 N4 P2 Si6 -","- C18 H54 Cl2 N4 P2 Si6 -","1","0.5","","Schaffrath, Markus; Villinger, Alexander; Michalik, Dirk; Rosenthal, Uwe; Schulz, Axel","Titanocene-Mediated Formation of Phosphorus−Phosphorus Bonds","Organometallics","2008","27","7","1393","","10.1021/om701038p","","","0.71073","MoKα","","0.0214","0.02","","","0.0574","0.0583","","","","","","1.063","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070814","8.724","0.0017","9.467","0.0019","23.224","0.005","84.51","0.03","80.24","0.03","66.53","0.03","1733.1","0.7","228","2","228","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H54 N4 P2 Si6 -","- C18 H54 N4 P2 Si6 -","- C36 H108 N8 P4 Si12 -","2","1","","Schaffrath, Markus; Villinger, Alexander; Michalik, Dirk; Rosenthal, Uwe; Schulz, Axel","Titanocene-Mediated Formation of Phosphorus−Phosphorus Bonds","Organometallics","2008","27","7","1393","","10.1021/om701038p","","","0.71073","MoKα","","0.0597","0.0398","","","0.0991","0.1074","","","","","","1.072","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070815","13.6535","0.0006","11.685","0.0005","18.6671","0.0008","90","","90","","90","","2978.2","0.2","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H22 B F3 O Pt -","- C15 H22 B F3 O Pt -","- C120 H176 B8 F24 O8 Pt8 -","8","1","","Wu, Jianguo; Sharp, Paul R.","A Family of Platinaoxetanes","Organometallics","2008","27","6","1234","","10.1021/om7010479","","","0.71073","MoKα","","0.0398","0.0287","","","0.0614","0.0669","","","","","","1.038","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070816","9.8764","0.0011","21.34","0.002","13.5382","0.0014","90","","93.188","0.002","90","","2848.9","0.5","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H46 B F3 O P2 Pt -","- C25 H46 B F3 O P2 Pt -","- C100 H184 B4 F12 O4 P8 Pt4 -","4","1","","Wu, Jianguo; Sharp, Paul R.","A Family of Platinaoxetanes","Organometallics","2008","27","6","1234","","10.1021/om7010479","","","0.71073","MoKα","","0.0308","0.0219","","","0.0436","0.0461","","","","","","1.017","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070817","30.3734","0.0012","10.4959","0.0004","23.0024","0.0009","90","","97.115","0.001","90","","7276.6","0.5","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32.88 H43 B F3 N2 O Pt -","- C25 H34 B F3 N2 O Pt -","- C200 H272 B8 F24 N16 O8 Pt8 -","8","1","","Wu, Jianguo; Sharp, Paul R.","A Family of Platinaoxetanes","Organometallics","2008","27","6","1234","","10.1021/om7010479","","","0.71073","MoKα","","0.0507","0.035","","","0.0823","0.086","","","","","","0.996","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070818","22.2291","0.0005","19.5356","0.0005","21.5056","0.0005","90","","92.023","0.001","90","","9333.2","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 Cl2 Co4 O18 -","- C41 H34 Cl2 Co4 O18 -","- C328 H272 Cl16 Co32 O144 -","8","2","","Melikyan, Gagik G.; Wild, Christopher; Toure, Pogban","Intramolecular Cyclizations of Co2(CO)6-Complexed Propargyl Radicals: Synthesis ofd,l- andmeso-1,5-Cyclodecadiynes","Organometallics","2008","27","7","1569","","10.1021/om7010497","","","0.71073","MoKα","","0.1201","0.0699","","","0.1725","0.2011","","","","","","1.031","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070819","6.9725","0.0013","9.5826","0.0017","36.815","0.007","90","","91.424","0.008","90","","2459","0.8","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 O6 -","- C28 H32 O6 -","- C112 H128 O24 -","4","1","","Melikyan, Gagik G.; Wild, Christopher; Toure, Pogban","Intramolecular Cyclizations of Co2(CO)6-Complexed Propargyl Radicals: Synthesis ofd,l- andmeso-1,5-Cyclodecadiynes","Organometallics","2008","27","7","1569","","10.1021/om7010497","","","0.71073","MoKα","","0.247","0.087","","","0.138","0.1817","","","","","","1.017","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070820","12.864","0.003","11.6069","0.0018","17.1408","0.0008","90","","98.163","0.007","90","","2533.4","0.7","250","","250","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H23 Mn O5 -","- C29 H23 Mn O5 -","- C116 H92 Mn4 O20 -","4","1","","Jacques, Béatrice; Chanaewa, Alina; Chavarot-Kerlidou, Murielle; Rose-Munch, Françoise; Rose, Eric; Gérard, Hélène","A Combined Experimental−Theoretical Study on the Lithiation/Electrophilic Quench Sequence of (η5-Cyclohexadienyl)Mn(CO)3Complexes","Organometallics","2008","27","4","626","","10.1021/om7010529","","","0.71073","MoKα","","0.116","0.0303","","0.0967","0.0307","0.0307","","","","","","1.1243","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070821","11.194","0.002","23.488","0.004","26.19","0.004","90","","96.52","0.02","90","","6841","2","213","2","213","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C71 H70 Ag F6 O6 P3 Pt2 S2 -","- C71 H70 Ag F6 O6 P3 Pt2 S2 -","- C284 H280 Ag4 F24 O24 P12 Pt8 S8 -","4","1","","Wachtler, Helmuth; Schuh, Walter; Augner, Sven; Hägele, Gerhard; Wurst, Klaus; Peringer, Paul","Syn−AntiIsomerization by Intramolecular Alkene Rotation: Study of the Dynamics of the Bicyclo[2.2.1]hept-2-ene Ligands in a Diplatinum(I) Complex and Its Lewis Acid Adducts","Organometallics","2008","27","8","1797","","10.1021/om7010547","","","0.71073","MoKα","","0.0487","0.0334","","","0.0694","0.0735","","","","","","1.03","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070822","16.863","0.0004","7.252","0.0002","12.828","0.0005","90","","95.604","0.0014","90","","1561.24","0.08","100","2","100","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C8 H11 Ga -","- C8 H11 Ga -","- C64 H88 Ga8 -","8","2","","Jutzi, Peter; Izundu, Joseph; Neumann, Beate; Mix, Andreas; Stammler, Hans-Georg","Aryl(dimethyl)gallium Compounds and Methyl(diphenyl)gallium: Synthesis, Structure, and Redistribution Reactions","Organometallics","2008","27","18","4565","","10.1021/om701055a","","","0.71073","MoKα","","0.0559","0.0355","","","0.0796","0.0862","","","","","","1.055","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070823","7.02","0.0003","7.121","0.0003","10.309","0.0005","72.703","0.002","76.898","0.003","65.767","0.003","445.43","0.04","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C9 H13 Ga -","- C9 H13 Ga -","- C18 H26 Ga2 -","2","1","","Jutzi, Peter; Izundu, Joseph; Neumann, Beate; Mix, Andreas; Stammler, Hans-Georg","Aryl(dimethyl)gallium Compounds and Methyl(diphenyl)gallium: Synthesis, Structure, and Redistribution Reactions","Organometallics","2008","27","18","4565","","10.1021/om701055a","","","0.71073","MoKα","","0.0439","0.037","","","0.0986","0.1021","","","","","","1.043","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070824","6.628","0.0007","7.069","0.0005","12.689","0.0011","87.743","0.006","89.449","0.007","82.605","0.008","589.11","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H19 Ga -","- C12 H19 Ga -","- C24 H38 Ga2 -","2","1","","Jutzi, Peter; Izundu, Joseph; Neumann, Beate; Mix, Andreas; Stammler, Hans-Georg","Aryl(dimethyl)gallium Compounds and Methyl(diphenyl)gallium: Synthesis, Structure, and Redistribution Reactions","Organometallics","2008","27","18","4565","","10.1021/om701055a","","","0.71073","MoKα","","0.0232","0.0198","","","0.0485","0.0503","","","","","","1.073","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070825","8.731","0.0009","11.977","0.0008","10.739","0.002","90","","99.202","0.013","90","","1108.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Ga -","- C13 H13 Ga -","- C52 H52 Ga4 -","4","1","","Jutzi, Peter; Izundu, Joseph; Neumann, Beate; Mix, Andreas; Stammler, Hans-Georg","Aryl(dimethyl)gallium Compounds and Methyl(diphenyl)gallium: Synthesis, Structure, and Redistribution Reactions","Organometallics","2008","27","18","4565","","10.1021/om701055a","","","0.71073","MoKα","","0.0638","0.0353","","","0.0562","0.0631","","","","","","1.071","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070826","8.8927","0.0015","14.556","0.003","9.4158","0.0017","90","","107.08","0.003","90","","1165","0.4","294","2","294","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H27 N3 O -","- C28 H27 N3 O -","- C56 H54 N6 O2 -","2","1","","Zi, Guofu; Xiang, Li; Song, Haibin","Enantioselective Hydroamination/Cyclization Catalyzed by Organolanthanide Amides Derived from a New Chiral Ligand, (S)-2-(Pyrrol-2-ylmethyleneamino)-2′-(dimethylamino)-1,1′-binaphthyl","Organometallics","2008","27","6","1242","","10.1021/om701058k","","","0.71073","MoKα","","0.0552","0.042","","","0.1001","0.1124","","","","","","1.09","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070827","11.515","0.002","21.46","0.004","24.2","0.005","90","","90","","90","","5980","2","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C67 H70 N7 Si2 Sm -","- C67 H70 N7 Si2 Sm -","- C268 H280 N28 Si8 Sm4 -","4","1","","Zi, Guofu; Xiang, Li; Song, Haibin","Enantioselective Hydroamination/Cyclization Catalyzed by Organolanthanide Amides Derived from a New Chiral Ligand, (S)-2-(Pyrrol-2-ylmethyleneamino)-2′-(dimethylamino)-1,1′-binaphthyl","Organometallics","2008","27","6","1242","","10.1021/om701058k","","","0.7107","MoKα","","0.0345","0.0321","","","0.0681","0.0693","","","","","","1.067","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4070828","11.4444","0.001","21.5082","0.0016","24.216","0.002","90","","90","","90","","5960.7","0.8","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C67 H70 N7 Si2 Y -","- C67 H70 N7 Si2 Y -","- C268 H280 N28 Si8 Y4 -","4","1","","Zi, Guofu; Xiang, Li; Song, Haibin","Enantioselective Hydroamination/Cyclization Catalyzed by Organolanthanide Amides Derived from a New Chiral Ligand, (S)-2-(Pyrrol-2-ylmethyleneamino)-2′-(dimethylamino)-1,1′-binaphthyl","Organometallics","2008","27","6","1242","","10.1021/om701058k","","","0.7107","MoKα","","0.0717","0.0656","","","0.1113","0.1135","","","","","","1.203","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4070829","11.4379","0.0003","21.5061","0.0005","24.2427","0.0007","90","","90","","90","","5963.3","0.3","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C67 H70 N7 Si2 Yb -","- C67 H70 N7 Si2 Yb -","- C268 H280 N28 Si8 Yb4 -","4","1","","Zi, Guofu; Xiang, Li; Song, Haibin","Enantioselective Hydroamination/Cyclization Catalyzed by Organolanthanide Amides Derived from a New Chiral Ligand, (S)-2-(Pyrrol-2-ylmethyleneamino)-2′-(dimethylamino)-1,1′-binaphthyl","Organometallics","2008","27","6","1242","","10.1021/om701058k","","","0.7107","MoKα","","0.0478","0.0412","","","0.0771","0.0799","","","","","","1.036","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4070830","41.414","0.002","12.7965","0.0005","26.01","0.001","90","","103","0.001","90","","13430.8","1","100","1","100","1","","","","","","","see text","6","C 1 2/c 1","-C 2yc","15","","","","- C66 H66 B F24 N3 Pd -","- C66 H66 B F24 N3 Pd -","- C528 H528 B8 F192 N24 Pd8 -","8","1","","Li, Weidong; Zhang, Xiaochun; Meetsma, Auke; Hessen, Bart","Reactions of Cationic Palladium α-Diimine Complexes with Nitrogen-Containing Olefins: Branched Polyethylene with Carbazole Functionalities","Organometallics","2008","27","9","2052","","10.1021/om701059t","","","0.71073","MoKα","","0.0989","0.0618","","","0.1468","0.1664","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070831","12.8846","0.0006","15.727","0.0007","36.571","0.002","90","","91.951","0.001","90","","7406.3","0.6","100","1","100","1","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H71 B F24 N3 Pd -","- C78 H71 B F24 N3 Pd -","- C312 H284 B4 F96 N12 Pd4 -","4","1","","Li, Weidong; Zhang, Xiaochun; Meetsma, Auke; Hessen, Bart","Reactions of Cationic Palladium α-Diimine Complexes with Nitrogen-Containing Olefins: Branched Polyethylene with Carbazole Functionalities","Organometallics","2008","27","9","2052","","10.1021/om701059t","","","0.71073","MoKα","","0.0969","0.0762","","","0.1932","0.2061","","","","","","1.057","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070832","13.5762","0.0001","17.8032","0.0002","21.6131","0.0002","101.868","0.0005","98.5113","0.0005","108.785","0.0008","4708.73","0.08","103","2","103","2","","","","","","","","5","P -1","-P 1","2","compound 3","","","- C36 H73 Li O2 Si7 -","- C36 H73 Li O2 Si7 -","- C144 H292 Li4 O8 Si28 -","4","2","","Matsumoto, Takeshi; Sasamori, Takahiro; Sato, Kazunobu; Takui, Takeji; Tokitoh, Norihiro","Reduction of a Kinetically Stabilized Silabenzene Leading to the Formation of the Corresponding Anion Radical Species†","Organometallics","2008","27","3","305","","10.1021/om701060a","","","0.71069","MoKα","","0.0378","0.0322","","","0.0843","0.0877","","","","","","1.019","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070833","12.9509","0.0006","23.3149","0.0005","15.8222","0.0004","90","","103.269","0.0014","90","","4650","0.3","103","2","103","2","","","","","","","","4","C 1 c 1","C -2yc","9","compound 7","","","- C39 H72 O Si7 -","- C39 H72 O Si7 -","- C156 H288 O4 Si28 -","4","1","","Matsumoto, Takeshi; Sasamori, Takahiro; Sato, Kazunobu; Takui, Takeji; Tokitoh, Norihiro","Reduction of a Kinetically Stabilized Silabenzene Leading to the Formation of the Corresponding Anion Radical Species†","Organometallics","2008","27","3","305","","10.1021/om701060a","","","0.71069","MoKα","","0.0504","0.0451","","","0.1094","0.1129","","","","","","1.102","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070834","12.745","0.01","19.22","0.013","18.529","0.007","90","","101.71","0.05","90","","4444","5","200.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C50 H33 Co O3 P2 Pt -","- C50 H24 Co O3 P2 Pt -","- C200 H96 Co4 O12 P8 Pt4 -","4","1","","Komine, Nobuyuki; Hirota, Takuma; Hirano, Masafumi; Komiya, Sanshiro","E-Selective Allyl Transfer Reaction in a μ-η1:η2-Crotylplatinum−Cobalt Complex","Organometallics","2008","27","9","2145","","10.1021/om701062g","","","0.71069","MoKα","","","0.0551","","","","0.1155","","","","","","0.973","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070835","9.316","0.004","18.188","0.004","20.671","0.005","90","","91.18","0.03","90","","3501.7","1.9","200.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H37 Co O3 P2 Pt -","- C39 H30 Co O3 P2 Pt -","- C156 H120 Co4 O12 P8 Pt4 -","4","1","","Komine, Nobuyuki; Hirota, Takuma; Hirano, Masafumi; Komiya, Sanshiro","E-Selective Allyl Transfer Reaction in a μ-η1:η2-Crotylplatinum−Cobalt Complex","Organometallics","2008","27","9","2145","","10.1021/om701062g","","","0.71069","MoKα","","","0.0536","","","","0.2064","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070836","17.9482","0.0005","19.5298","0.0004","20.9501","0.0004","90","","90","","90","","7343.5","0.3","253","2","253","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H53 F6 P Ru3 -","- C37 H53 F6 P Ru3 -","- C296 H424 F48 P8 Ru24 -","8","1","","Takao, Toshiro; Moriya, Makoto; Suzuki, Hiroharu","Insertion of Acetylene and Nitriles into a Ru‒C Bond of a Dicationic Triruthenium Complex Having a μ~3~-η^3^-C~3~ Ring: Formation of Six-Membered Ruthenacycles on a Triruthenium Core","Organometallics","2008","27","6","1044","1054","10.1021/om701066b","","","0.71069","MoKα","","0.0652","0.0369","","","0.0815","0.0875","","","","","","0.892","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070837","13.6292","0.0003","20.4878","0.0004","16.4835","0.0004","90","","102.244","0.0012","90","","4498.03","0.17","253","2","253","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H57 F12 N P2 Ru3 -","- C42 H57 F12 N P2 Ru3 -","- C168 H228 F48 N4 P8 Ru12 -","4","1","","Takao, Toshiro; Moriya, Makoto; Suzuki, Hiroharu","Insertion of Acetylene and Nitriles into a Ru‒C Bond of a Dicationic Triruthenium Complex Having a μ~3~-η^3^-C~3~ Ring: Formation of Six-Membered Ruthenacycles on a Triruthenium Core","Organometallics","2008","27","6","1044","1054","10.1021/om701066b","","","0.71069","MoKα","","0.0702","0.0454","","","0.1063","0.1168","","","","","","1.021","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070838","11.3369","0.0005","13.8483","0.0007","17.3975","0.0007","70.706","0.002","86.346","0.003","82.148","0.0019","2553.3","0.2","253","2","253","2","","","","","","","","4","P -1","-P 1","2","","","","- C61 H73 B Ru3 -","- C61 H73 B Ru3 -","- C122 H146 B2 Ru6 -","2","1","","Takao, Toshiro; Moriya, Makoto; Suzuki, Hiroharu","Insertion of Acetylene and Nitriles into a Ru‒C Bond of a Dicationic Triruthenium Complex Having a μ~3~-η^3^-C~3~ Ring: Formation of Six-Membered Ruthenacycles on a Triruthenium Core","Organometallics","2008","27","6","1044","1054","10.1021/om701066b","","","0.71069","MoKα","","0.0503","0.039","","","0.0871","0.0933","","","","","","1.113","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070839","11.2683","0.0013","11.2683","0.0014","10.2514","0.0011","90","","90","","120","","1127.3","0.2","200","2","200","2","","","","","","","synthesis as described","4","P 3 1 c","P 3 -2c","159","","","","- C25 H30 N Nb -","- C25 H30 N Nb -","- C50 H60 N2 Nb2 -","2","0.333333","","Arteaga-Müller, Rocío; Sánchez-Nieves, Javier; Ramos, Javier; Royo, Pascual; Mosquera, Marta E. G.","Isolobal Zwitterionic Niobium and Tantalum Imido and Zirconium Monocyclopentadienyl Complexes: Theoretical and Methyl Methacrylate Polymerization Studies","Organometallics","2008","27","7","1417","","10.1021/om701068h","","","0.71073","MoKα","","0.0497","0.0327","","","0.0557","0.0593","","","","","","0.999","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070840","17.657","0.002","18.14","0.002","16.2916","0.0019","90","","97.237","0.002","90","","5176.6","1","100","2","100","0.2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C53 H66 Cl F3 N2 O6 Os S -","- C53 H66 Cl F3 N2 O6 Os S -","- C212 H264 Cl4 F12 N8 O24 Os4 S4 -","4","1","","Castarlenas, Ricardo; Esteruelas, Miguel A.; Lalrempuia, Ralte; Oliván, Montserrat; Oñate, Enrique","Osmium−Allenylidene Complexes Containing an N-Heterocyclic Carbene Ligand","Organometallics","2008","27","4","795","","10.1021/om7010694","","","0.71069","MoKα","","0.0566","0.047","","","0.0917","0.0956","","","","","","0.995","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070841","29.156","0.005","25.895","0.004","20.849","0.003","90","","132.683","0.002","90","","11571","3","105","2","105","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H76 B2 F8 N5 Os P -","- C57 H76 B2 F8 N5 Os P -","- C456 H608 B16 F64 N40 Os8 P8 -","8","1","","Castarlenas, Ricardo; Esteruelas, Miguel A.; Lalrempuia, Ralte; Oliván, Montserrat; Oñate, Enrique","Osmium−Allenylidene Complexes Containing an N-Heterocyclic Carbene Ligand","Organometallics","2008","27","4","795","","10.1021/om7010694","","","0.71073","MoKα","","0.0968","0.054","","","0.1096","0.1194","","","","","","0.913","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070842","22.677","0.002","22.619","0.002","21.715","0.002","90","","113.325","0.002","90","","10228","1.6","105","2","105","2","","","","","","","","8","C 1 c 1","C -2yc","9","","","","- C51.5 H70 B Cl2 F4 N2 Os P -","- C51.5 H70 B Cl2 F4 N2 Os P -","- C412 H560 B8 Cl16 F32 N16 Os8 P8 -","8","2","","Castarlenas, Ricardo; Esteruelas, Miguel A.; Lalrempuia, Ralte; Oliván, Montserrat; Oñate, Enrique","Osmium−Allenylidene Complexes Containing an N-Heterocyclic Carbene Ligand","Organometallics","2008","27","4","795","","10.1021/om7010694","","","0.71073","MoKα","","0.1494","0.065","","","0.0944","0.114","","","","","","0.767","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4070843","13.467","0.003","13.713","0.003","14.322","0.003","90","","101.286","0.003","90","","2593.7","1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C55 H83 B N2 Os P2 -","- C55 H83 B N2 Os P2 -","- C110 H166 B2 N4 Os2 P4 -","2","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat; Puerta, Marta","Abnormal and Normal N-Heterocyclic Carbene Osmium Polyhydride Complexes Obtained by Direct Metalation of Imidazolium Salts","Organometallics","2008","27","3","445","","10.1021/om7010722","","","0.71073","MoKα","","0.0337","0.0296","","","0.0564","0.0573","","","","","","0.931","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070844","11.396","0.005","13.801","0.006","21.64","0.009","90","","90","","90","","3403","3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H62 N2 Os P2 -","- C31 H62 N2 Os P2 -","- C124 H248 N8 Os4 P8 -","4","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat; Puerta, Marta","Abnormal and Normal N-Heterocyclic Carbene Osmium Polyhydride Complexes Obtained by Direct Metalation of Imidazolium Salts","Organometallics","2008","27","3","445","","10.1021/om7010722","","","0.71073","MoKα","","0.1171","0.064","","","0.0887","0.1037","","","","","","0.856","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070845","9.6097","0.0004","11.3454","0.0005","14.8142","0.0007","104.724","0.001","96.667","0.001","115.065","0.001","1368.05","0.11","100","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H38 Cl3 O3 Rh -","- C28 H38 Cl3 O3 Rh -","- C56 H76 Cl6 O6 Rh2 -","2","1","","Bordoni, Silvia; Natanti, Paolo; Cerini, Stefano; Tarroni, Riccardo; Monari, Magda; Piccinelli, Fabio; Busetto, Luigi","Diastereoselective Synthesis of New Rhodium-Based Amphiphilic Polyol-Cp Systems","Organometallics","2008","27","5","945","","10.1021/om701073h","","","0.71073","MoKα","","0.0432","0.0399","","","0.0973","0.0988","","","","","","1.057","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070846","16.86","0.0017","10.1387","0.001","23.855","0.002","90","","102.482","0.003","90","","3981.4","0.7","105","2","105","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H54 B O Os P -","- C47 H54 B O Os P -","- C188 H216 B4 O4 Os4 P4 -","4","1","","Esteruelas, Miguel A.; Hernández, Yohar A.; López, Ana M.; Oliván, Montserrat; Rubio, Lucía","Reactions of a Dihydride−Osmium(IV) Complex with Aldehydes: Influence of the Substituent at the Carbonyl Group","Organometallics","2008","27","4","799","","10.1021/om701075d","","","0.71073","MoKα","","0.1293","0.0573","","","0.0857","0.0994","","","","","","0.801","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070847","10.942","0.005","14.889","0.006","24.479","0.011","88.171","0.007","78.202","0.008","89.766","0.008","3902","3","141","2","141","2","","","","","","","","5","P -1","-P 1","2","","","","- C89.5 H94 Lu N5 Si -","- C79 H82 Lu N5 Si -","- C158 H164 Lu2 N10 Si2 -","2","1","","Masuda, Jason D.; Jantunen, Kimberly C.; Scott, Brian L.; Kiplinger, Jaqueline L.","Lutetium Alkyls Supported by a Dearomatized and Functionalized Terpyridine Ligand: Preparation of Fluorinated Anilide Complexes","Organometallics","2008","27","4","803","","10.1021/om701076n","","","0.71073","MoKα","","0.1438","0.0792","","","0.1391","0.1637","","","","","","0.87","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070848","21.078","0.003","20.523","0.003","10.8091","0.0016","90","","102.5","0.002","90","","4565","1.2","141","2","141","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C47 H62 F5 Lu N4 Si -","- C47 H62 F5 Lu N4 Si -","- C188 H248 F20 Lu4 N16 Si4 -","4","1","","Masuda, Jason D.; Jantunen, Kimberly C.; Scott, Brian L.; Kiplinger, Jaqueline L.","Lutetium Alkyls Supported by a Dearomatized and Functionalized Terpyridine Ligand: Preparation of Fluorinated Anilide Complexes","Organometallics","2008","27","4","803","","10.1021/om701076n","","","0.71073","MoKα","","0.0815","0.0498","","","0.1043","0.1223","","","","","","1.072","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070849","10.0026","0.0005","10.5211","0.0005","14.3597","0.0007","107.407","0.002","103.434","0.002","91.7","0.002","1394.5","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H30 N3 O9.5 Pd -","- C25 H30 N3 O9.5 Pd -","- C50 H60 N6 O19 Pd2 -","2","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Juliá-Hernández, Francisco; Bautista, Delia; Jones, Peter G.","Synthesis of Bis(2,6-dinitroaryl)palladium(II) and Mono(2,6-dinitroaryl)platinum(II) Complexes. A New Example of the Transphobia Effect and of Transmetalation from Pt to Hg","Organometallics","2008","27","7","1582","","10.1021/om701077y","","","0.71073","MoKα","","0.0326","0.0296","","","0.0758","0.0775","","","","","","1.049","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4070850","16.322","0.002","8.2938","0.0011","18.474","0.002","90","","112.011","0.002","90","","2318.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 N3 O9 Pd -","- C19 H25 N3 O9 Pd -","- C76 H100 N12 O36 Pd4 -","4","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Juliá-Hernández, Francisco; Bautista, Delia; Jones, Peter G.","Synthesis of Bis(2,6-dinitroaryl)palladium(II) and Mono(2,6-dinitroaryl)platinum(II) Complexes. A New Example of the Transphobia Effect and of Transmetalation from Pt to Hg","Organometallics","2008","27","7","1582","","10.1021/om701077y","","","0.71073","MoKα","","0.0389","0.0306","","","0.0697","0.0726","","","","","","1.046","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070851","21.156","0.0009","11.2128","0.0005","16.2406","0.0007","90","","92.797","0.002","90","","3848","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N6 O14 Pd -","- C36 H36 N6 O14 Pd -","- C144 H144 N24 O56 Pd4 -","4","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Juliá-Hernández, Francisco; Bautista, Delia; Jones, Peter G.","Synthesis of Bis(2,6-dinitroaryl)palladium(II) and Mono(2,6-dinitroaryl)platinum(II) Complexes. A New Example of the Transphobia Effect and of Transmetalation from Pt to Hg","Organometallics","2008","27","7","1582","","10.1021/om701077y","","","0.71073","MoKα","","0.0465","0.0368","","","0.0807","0.0844","","","","","","1.074","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070852","14.6377","0.0006","16.8923","0.0007","18.0811","0.0007","73.573","0.002","88.311","0.002","71.063","0.002","4046.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C27.5 H45 Cl4 N6 O14.5 Pd2 -","- C27.5 H45 Cl4 N6 O14.5 Pd2 -","- C110 H180 Cl16 N24 O58 Pd8 -","4","2","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Juliá-Hernández, Francisco; Bautista, Delia; Jones, Peter G.","Synthesis of Bis(2,6-dinitroaryl)palladium(II) and Mono(2,6-dinitroaryl)platinum(II) Complexes. A New Example of the Transphobia Effect and of Transmetalation from Pt to Hg","Organometallics","2008","27","7","1582","","10.1021/om701077y","","","0.71073","MoKα","","0.0636","0.0424","","","0.0913","0.1006","","","","","","1.017","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4070853","13.277","0.0008","13.5786","0.0008","18.7001","0.0011","98.449","0.004","91.862","0.004","107.581","0.004","3168.4","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H56 Cl4 N4 O17 P2 Pt2 -","- C58 H56 Cl4 N4 O17 P2 Pt2 -","- C116 H112 Cl8 N8 O34 P4 Pt4 -","2","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Juliá-Hernández, Francisco; Bautista, Delia; Jones, Peter G.","Synthesis of Bis(2,6-dinitroaryl)palladium(II) and Mono(2,6-dinitroaryl)platinum(II) Complexes. A New Example of the Transphobia Effect and of Transmetalation from Pt to Hg","Organometallics","2008","27","7","1582","","10.1021/om701077y","","","0.71073","MoKα","","0.0384","0.0259","","","0.0602","0.0639","","","","","","0.987","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070854","14.1641","0.0008","14.3015","0.0008","18.3803","0.0012","68.708","0.004","74.876","0.004","63.103","0.004","3072.8","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H52.72 Cl5.28 N4 O16 P2 Pt2 -","- C56 H52.715 Cl5.285 N4 O16 P2 Pt2 -","- C112 H105.43 Cl10.57 N8 O32 P4 Pt4 -","2","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Juliá-Hernández, Francisco; Bautista, Delia; Jones, Peter G.","Synthesis of Bis(2,6-dinitroaryl)palladium(II) and Mono(2,6-dinitroaryl)platinum(II) Complexes. A New Example of the Transphobia Effect and of Transmetalation from Pt to Hg","Organometallics","2008","27","7","1582","","10.1021/om701077y","","","0.71073","MoKα","","0.0543","0.0294","","","0.073","0.0808","","","","","","0.989","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070855","10.2492","0.0005","11.6858","0.0006","14.5201","0.0008","66.848","0.002","72.464","0.002","64.161","0.002","1421.3","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H24 N4 O18 Pd2 -","- C22 H24 N4 O18 Pd2 -","- C44 H48 N8 O36 Pd4 -","2","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Juliá-Hernández, Francisco; Bautista, Delia; Jones, Peter G.","Synthesis of Bis(2,6-dinitroaryl)palladium(II) and Mono(2,6-dinitroaryl)platinum(II) Complexes. A New Example of the Transphobia Effect and of Transmetalation from Pt to Hg","Organometallics","2008","27","7","1582","","10.1021/om701077y","","","0.71073","MoKα","","0.0447","0.0362","","","0.0727","0.0756","","","","","","1.087","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070856","13.3143","0.0008","8.8432","0.0006","16.7447","0.001","90","","108.601","0.003","90","","1868.6","0.2","213","2","213","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C19 H16 F4 Ir N O3 -","- C20 H16 F4 Ir N O3 -","- C80 H64 F16 Ir4 N4 O12 -","4","0.5","","Ke Chan, Pek; Kee Leong, Weng","Reaction of Cp*Ir(CO)2with Activated Perfluoroaromatic Compounds: Formation of Metallocarboxylic Acids via Aromatic Nucleophilic Substitution","Organometallics","2008","27","6","1247","","10.1021/om701078q","","","0.71073","MoKα","","0.0386","0.0346","","","0.0719","0.0737","","","","","","1.076","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070857","8.2139","0.0005","9.175","0.0006","14.0581","0.0009","73.448","0.001","84.546","0.001","75.868","0.001","984.45","0.11","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 F4 Ir N O3 -","- C20 H18 F4 Ir N O3 -","- C40 H36 F8 Ir2 N2 O6 -","2","1","","Ke Chan, Pek; Kee Leong, Weng","Reaction of Cp*Ir(CO)2with Activated Perfluoroaromatic Compounds: Formation of Metallocarboxylic Acids via Aromatic Nucleophilic Substitution","Organometallics","2008","27","6","1247","","10.1021/om701078q","","","0.71073","MoKα","","0.0177","0.0171","","","0.0422","0.0424","","","","","","1.063","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070858","16.944","0.005","17.295","0.005","25.961","0.007","90","","101.622","0.007","90","","7452","4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","tris-[ethynylphenyl-bis-(triethylphosphine)Platinum iodide]amine","","- C60 H102 I3 N P6 Pt3 -","- C60 H92 I3 N P6 Pt3 -","- C240 H368 I12 N4 P24 Pt12 -","4","1","","Ghosh, Sushobhan; Mukherjee, Partha Sarathi","Self-Assembly of a Nanoscopic Prism via a New Organometallic Pt3Acceptor and Its Fluorescent Detection of Nitroaromatics","Organometallics","2008","27","3","316","","10.1021/om701082y","","","0.71073","MoKα","","0.2053","0.0701","","","0.145","0.1992","","","","","","0.919","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070859","9.0438","0.0005","13.2365","0.0007","12.6151","0.0007","90","","90","","90","","1510.13","0.14","163","2","163","2","","","","","","","","5","C m c 21","C 2c -2","36","[(Cp*OH)Ru(benzene)]Cl","","","- C16 H21 Cl O Ru -","- C16 H21 Cl O Ru -","- C64 H84 Cl4 O4 Ru4 -","4","0.5","","Fairchild, Robert M.; Holman, K. Travis","[(η5-C5Me4CH2R)Ru(η6-arene)]+and [(η5-C5Me4CH2R)Ru(CH3CN)3]+Compounds Possessing Pendant Arms","Organometallics","2008","27","8","1823","","10.1021/om701084m","","","0.71073","MoKα","","0.023","0.0196","","","0.0466","0.0474","","","","","","1.048","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070860","30.227","0.002","7.0623","0.0006","15.8241","0.0013","90","","104.403","0.001","90","","3271.8","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","[(eta6-benzoic acid)Ru(eta5-C5Me4CH2OH)]Cl","","- C17 H21 Cl O3 Ru -","- C17 H21 Cl O3 Ru -","- C136 H168 Cl8 O24 Ru8 -","8","1","","Fairchild, Robert M.; Holman, K. Travis","[(η5-C5Me4CH2R)Ru(η6-arene)]+and [(η5-C5Me4CH2R)Ru(CH3CN)3]+Compounds Possessing Pendant Arms","Organometallics","2008","27","8","1823","","10.1021/om701084m","","","0.71073","MoKα","","0.0367","0.0314","","","0.0814","0.0832","","","","","","1.108","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070861","17.5733","0.0016","8.3436","0.0008","13.953","0.0013","90","","126.871","0.001","90","","1636.7","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","[(eta6-benzonitrile)Ru(eta5-C5Me4CH2OH)]Cl","","- C17 H20 Cl N O Ru -","- C17 H20 Cl N O Ru -","- C68 H80 Cl4 N4 O4 Ru4 -","4","1","","Fairchild, Robert M.; Holman, K. Travis","[(η5-C5Me4CH2R)Ru(η6-arene)]+and [(η5-C5Me4CH2R)Ru(CH3CN)3]+Compounds Possessing Pendant Arms","Organometallics","2008","27","8","1823","","10.1021/om701084m","","","0.71073","MoKα","","0.0321","0.0275","","","0.0663","0.068","","","","","","1.017","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070862","7.362","0.0004","12.5244","0.0007","21.2886","0.0011","90","","92.984","0.001","90","","1960.25","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","[(eta6-acetophenone)Ru(eta5-C5Me4CH2OH)]PF6","","- C18 H23 F6 O2 P Ru -","- C18 H23 F6 O2 P Ru -","- C72 H92 F24 O8 P4 Ru4 -","4","2","","Fairchild, Robert M.; Holman, K. Travis","[(η5-C5Me4CH2R)Ru(η6-arene)]+and [(η5-C5Me4CH2R)Ru(CH3CN)3]+Compounds Possessing Pendant Arms","Organometallics","2008","27","8","1823","","10.1021/om701084m","","","0.71073","MoKα","","0.0798","0.0442","","","0.0952","0.1042","","","","","","1.001","","","","has coordinates,has disorder","304654","2026-02-27","09:09:29",""
"4070863","21.1522","0.0007","21.1522","0.0007","8.4509","0.0005","90","","90","","90","","3781.1","0.3","100","2","100","2","","","","","","","","5","P 42/n :2","-P 4bc","86","","[(eta6-benzene)Ru(eta5-C5Me4CH2OCH3)]Cl","","- C17 H26 Cl2 O2 Ru -","- C17 H26 Cl2 O2 Ru -","- C136 H208 Cl16 O16 Ru8 -","8","1","","Fairchild, Robert M.; Holman, K. Travis","[(η5-C5Me4CH2R)Ru(η6-arene)]+and [(η5-C5Me4CH2R)Ru(CH3CN)3]+Compounds Possessing Pendant Arms","Organometallics","2008","27","8","1823","","10.1021/om701084m","","","0.71073","MoKα","","0.0533","0.0283","","","0.0616","0.0676","","","","","","1.083","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070864","6.872","0.005","10.792","0.008","14.599","0.011","97.798","0.018","95.328","0.018","91.472","0.014","1067.2","1.4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","[eta5-{1-((C5Me4)methyl)pyridin-2-one}Ru(eta6-benzene)]PF6","","- C21 H26 F6 N O2 P Ru -","- C21 H24 F6 N O2 P Ru -","- C42 H48 F12 N2 O4 P2 Ru2 -","2","1","","Fairchild, Robert M.; Holman, K. Travis","[(η5-C5Me4CH2R)Ru(η6-arene)]+and [(η5-C5Me4CH2R)Ru(CH3CN)3]+Compounds Possessing Pendant Arms","Organometallics","2008","27","8","1823","","10.1021/om701084m","","","0.71073","MoKα","","0.0688","0.0491","","","0.1119","0.1161","","","","","","1.103","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070865","7.134","0.0006","12.2235","0.001","15.9461","0.0012","90","","94.372","0.001","90","","1386.49","0.19","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","(S)-[eta5-{2-(((C5Me4)methoxy)methyl)-1-methylpyrrolidinium}Ru(C6H6)][PF6]2","","- C22 H33 F12 N O P2 Ru -","- C22 H33 F12 N O P2 Ru -","- C44 H66 F24 N2 O2 P4 Ru2 -","2","1","","Fairchild, Robert M.; Holman, K. Travis","[(η5-C5Me4CH2R)Ru(η6-arene)]+and [(η5-C5Me4CH2R)Ru(CH3CN)3]+Compounds Possessing Pendant Arms","Organometallics","2008","27","8","1823","","10.1021/om701084m","","","0.71073","MoKα","","0.0411","0.0337","","","0.0756","0.0784","","","","","","1.031","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070866","21.0388","0.0019","21.0388","0.0019","17.05","0.002","90","","90","","90","","7546.9","1.3","108","2","108","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C22 H28 B P -","- C22 H28 B P -","- C352 H448 B16 P16 -","16","1","","Fischbach, Andreas; Bazinet, Patrick R.; Waterman, Rory; Tilley, T. Don","β-Phosphinoethylboranes as Ambiphilic Ligands in Nickel−Methyl Complexes","Organometallics","2008","27","6","1135","","10.1021/om7010886","","","0.71073","MoKα","","0.0422","0.0339","","","0.0788","0.0834","","","","","","1.037","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070867","10.4003","0.0018","11.84","0.002","15.52","0.003","76.509","0.003","88.116","0.003","68.598","0.003","1727.4","0.5","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H58 B Ni P3 -","- C34 H58 B Ni P3 -","- C68 H116 B2 Ni2 P6 -","2","1","","Fischbach, Andreas; Bazinet, Patrick R.; Waterman, Rory; Tilley, T. Don","β-Phosphinoethylboranes as Ambiphilic Ligands in Nickel−Methyl Complexes","Organometallics","2008","27","6","1135","","10.1021/om7010886","","","0.71073","MoKα","","0.0859","0.0586","","","0.1571","0.1716","","","","","","1.018","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070868","19.8999","0.0012","11.9582","0.0007","20.2828","0.0012","90","","114.655","0.002","90","","4386.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C50 H63 Fe N3 O2 -","- C50 H63 Fe N3 O2 -","- C200 H252 Fe4 N12 O8 -","4","1","","Trovitch, Ryan J.; Lobkovsky, Emil; Bill, Eckhard; Chirik, Paul J.","Functional Group Tolerance and Substrate Scope in Bis(imino)pyridine Iron Catalyzed Alkene Hydrogenation","Organometallics","2008","27","7","1470","","10.1021/om701091z","","","0.71073","MoKα","","0.0956","0.0461","","","0.1116","0.1165","","","","","","0.964","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070869","9.6359","0.0018","11.092","0.002","17.373","0.003","87.918","0.003","75.102","0.003","81.202","0.003","1773.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H56 N3 Si2 Y -","- C29 H56 N3 Si2 Y -","- C58 H112 N6 Si4 Y2 -","2","1","","Xu, Xin; Xu, Xiaoyan; Chen, Yaofeng; Sun, Jie","Dialkyllanthanide Complexes Containing New Tridentate Monoanionic Ligands with Nitrogen Donors","Organometallics","2008","27","4","758","","10.1021/om7010936","","","0.71073","MoKα","","0.1095","0.0607","","","0.1301","0.1482","","","","","","0.861","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070870","9.613","0.003","10.999","0.003","17.249","0.005","87.576","0.004","74.846","0.004","80.946","0.005","1738.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H56 Lu N3 Si2 -","- C29 H56 Lu N3 Si2 -","- C58 H112 Lu2 N6 Si4 -","2","1","","Xu, Xin; Xu, Xiaoyan; Chen, Yaofeng; Sun, Jie","Dialkyllanthanide Complexes Containing New Tridentate Monoanionic Ligands with Nitrogen Donors","Organometallics","2008","27","4","758","","10.1021/om7010936","","","0.71073","MoKα","","0.0486","0.0433","","","0.1055","0.1076","","","","","","0.976","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070871","9.5972","0.0007","11.0827","0.0007","17.2952","0.0012","88.29","0.001","75.119","0.001","81.251","0.001","1757.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H56 N3 Si2 Sm -","- C29 H56 N3 Si2 Sm -","- C58 H112 N6 Si4 Sm2 -","2","1","","Xu, Xin; Xu, Xiaoyan; Chen, Yaofeng; Sun, Jie","Dialkyllanthanide Complexes Containing New Tridentate Monoanionic Ligands with Nitrogen Donors","Organometallics","2008","27","4","758","","10.1021/om7010936","","","0.71073","MoKα","","0.0374","0.0335","","","0.079","0.0805","","","","","","0.992","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070872","9.6033","0.0008","11.1048","0.0009","17.3163","0.0014","88.372","0.001","75.294","0.001","81.282","0.001","1765.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H56 N3 Nd Si2 -","- C29 H56 N3 Nd Si2 -","- C58 H112 N6 Nd2 Si4 -","2","1","","Xu, Xin; Xu, Xiaoyan; Chen, Yaofeng; Sun, Jie","Dialkyllanthanide Complexes Containing New Tridentate Monoanionic Ligands with Nitrogen Donors","Organometallics","2008","27","4","758","","10.1021/om7010936","","","0.71073","MoKα","","0.0409","0.0342","","","0.0741","0.0811","","","","","","1.009","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070873","10.989","0.005","11.935","0.006","14.662","0.008","89.934","0.009","84.979","0.01","82.763","0.011","1900.2","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H60 N3 Si2 Y -","- C32 H60 N3 Si2 Y -","- C64 H120 N6 Si4 Y2 -","2","1","","Xu, Xin; Xu, Xiaoyan; Chen, Yaofeng; Sun, Jie","Dialkyllanthanide Complexes Containing New Tridentate Monoanionic Ligands with Nitrogen Donors","Organometallics","2008","27","4","758","","10.1021/om7010936","","","0.71073","MoKα","","0.1224","0.0646","","","0.1501","0.1665","","","","","","0.82","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070874","8.965","0.003","19.433","0.005","18.239","0.004","90","","95.184","0.006","90","","3164.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 Fe O3 Si2 -","- C35 H32 Fe O3 Si2 -","- C140 H128 Fe4 O12 Si8 -","4","1","","Zhang, Zhensheng; Gu, Jianli; Zhang, Chengxun; Sun, Huailin","Intramolecular Si−Si Bond Activation by the Iron Carbonyl Unit in an (η4-Silole)tricarbonyliron Complex","Organometallics","2008","27","10","2149","","10.1021/om701095j","","","0.71073","MoKα","","0.17","0.0669","","","0.1217","0.1658","","","","","","0.974","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070875","17.932","0.004","10.443","0.002","7.3797","0.0015","90","","98.943","0.003","90","","1365.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tricarbonyl[/h^5^-(2-oxo-2-(2-pyridinyl)ethyl)cyclopentadienyl]manganese(I)","","- C15 H10 Mn N O4 -","- C15 H10 Mn N O4 -","- C60 H40 Mn4 N4 O16 -","4","1","","To, Tung T.; Duke, III, Charles B.; Junker, Christopher S.; O'Brien, Casey M.; Ross, II, Charles R.; Barnes, Craig E.; Webster, Charles Edwin; Burkey, Theodore J.","Linkage Isomerization as a Mechanism for Photochromic Materials: Cyclopentadienylmanganese Tricarbonyl Derivatives with Chelatable Functional Groups","Organometallics","2008","27","2","289","","10.1021/om701101h","","","0.71073","MoKα","","0.0333","0.0248","","","0.0599","0.0827","","","","","","1.161","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070876","14.5944","0.0006","5.7378","0.0002","15.4263","0.0007","90","","112.656","0.002","90","","1192.11","0.09","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H10 Mn N O3 -","- C14 H10 Mn N O3 -","- C56 H40 Mn4 N4 O12 -","4","1","","To, Tung T.; Duke III, Charles B.; Junker, Christopher S.; O’brien, Casey M.; Ross Ii, Charles R.; Barnes, Craig E.; Webster, Charles Edwin; Burkey, Theodore J.","Linkage Isomerization as a Mechanism for Photochromic Materials: Cyclopentadienylmanganese Tricarbonyl Derivatives with Chelatable Functional Groups","Organometallics","2008","27","2","289","","10.1021/om701101h","","","1.54178","CuKα","","0.0262","0.0257","","","0.0718","0.0722","","","","","","1.052","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070877","8.1046","0.0013","9.4947","0.0015","10.0314","0.0017","86.04","0.02","82.6","0.02","85.37","0.019","761.7","0.2","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","Cis-dibromo-nitrosyl-tris(acetonitrile)rhenium acetonitrile solvate","","- C8 H12 Br2 N5 O Re -","- C8 H12 Br2 N5 O Re -","- C16 H24 Br4 N10 O2 Re2 -","2","1","","Choualeb, A.; Maccaroni, E.; Blacque, O.; Schmalle, H. W.; Berke, H.","Rhenium Nitrosyl Complexes for Hydrogenations and Hydrosilylations","Organometallics","2008","27","14","3474","","10.1021/om7011024","","","0.71073","MoKα","","0.06","0.0449","","","0.12","0.135","","","","","","1.086","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070878","9.9073","0.0012","14.117","0.002","17.523","0.002","106.501","0.016","93.603","0.015","96.888","0.016","2320.8","0.6","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","[Cis-dibromo-cis(acetonitrilo-nitrosyl)-trans-bis(tricyclohexyl- phosphine)rhenium] tetrahydrofurane sesquisolvate","","- C88 H162 Br4 N4 O5 P4 Re2 -","- C88 H162 Br4 N4 O5 P4 Re2 -","- C88 H162 Br4 N4 O5 P4 Re2 -","1","0.5","","Choualeb, A.; Maccaroni, E.; Blacque, O.; Schmalle, H. W.; Berke, H.","Rhenium Nitrosyl Complexes for Hydrogenations and Hydrosilylations","Organometallics","2008","27","14","3474","","10.1021/om7011024","","","0.71073","MoKα","","0.0932","0.0409","","","0.0771","0.085","","","","","","0.688","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070879","10.834","0.0013","12.5413","0.0015","15.6724","0.0018","79.551","0.014","86.688","0.014","76.017","0.014","2031.9","0.4","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","[Cis-dibromo-cis(acetonitrile-nitrosyl)trans-tris(p-toluene)phosphine] rhenium","","- C44 H45 Br2 N2 O P2 Re -","- C44 H45 Br2 N2 O P2 Re -","- C88 H90 Br4 N4 O2 P4 Re2 -","2","1","","Choualeb, A.; Maccaroni, E.; Blacque, O.; Schmalle, H. W.; Berke, H.","Rhenium Nitrosyl Complexes for Hydrogenations and Hydrosilylations","Organometallics","2008","27","14","3474","","10.1021/om7011024","","","0.71073","MoKα","","0.0577","0.0314","","","0.0618","0.0663","","","","","","0.817","","","","has coordinates,has disorder","178597","2020-10-21","18:00:00",""
"4070880","35.9176","0.0015","12.8715","0.0006","18.6666","0.0007","90","","99.542","0.005","90","","8510.4","0.6","183","2","183","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","[trans(ethylene-hydrido)-trans(nitrosyl-tetrafluoroborane)- trans-bis(tricyclohexylphosphine)rhenium] toluene solvate","","- C83 H150 B2 F8 N2 O2 P4 Re2 -","- C83 H150 B2 F8 N2 O2 P4 Re2 -","- C332 H600 B8 F32 N8 O8 P16 Re8 -","4","0.5","","Choualeb, A.; Maccaroni, E.; Blacque, O.; Schmalle, H. W.; Berke, H.","Rhenium Nitrosyl Complexes for Hydrogenations and Hydrosilylations","Organometallics","2008","27","14","3474","","10.1021/om7011024","","","0.71073","MoKα","","0.0489","0.0299","","","0.0697","0.0709","","","","","","0.729","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070881","11.278","0.002","14.443","0.003","13.142","0.003","90","","102.8","0.01","90","","2087.5","0.7","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","(R,Rp)-1d","","","- C43 H37 Cl5 Fe P2 Pd -","- C43 H37 Cl5 Fe P2 Pd -","- C86 H74 Cl10 Fe2 P4 Pd2 -","2","1","","Wang, Yaping; Sturm, Thomas; Steurer, Marianne; Arion, Vladimir B.; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Use in Asymmetric Hydrogenations of Walphos-Type Ligands","Organometallics","2008","27","6","1119","","10.1021/om701103d","","","0.71073","MoKα","","0.0255","0.0237","","","0.0611","0.0626","","","","","","1.027","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4070882","11.566","0.003","11.258","0.003","15.813","0.005","90","","98.68","0.01","90","","2035.4","1","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","(S,Rp)-1d","","","- C43 H37 Cl5 Fe P2 Pd -","- C43 H37 Cl5 Fe P2 Pd -","- C86 H74 Cl10 Fe2 P4 Pd2 -","2","1","","Wang, Yaping; Sturm, Thomas; Steurer, Marianne; Arion, Vladimir B.; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Use in Asymmetric Hydrogenations of Walphos-Type Ligands","Organometallics","2008","27","6","1119","","10.1021/om701103d","","","0.71073","MoKα","","0.0229","0.0212","","","0.0515","0.0521","","","","","","1.002","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070883","12.3737","0.0004","26.457","0.0007","29.0299","0.001","90","","90","","90","","9503.5","0.5","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","yw241 (R,Rp)-1f","","","- C95 H63 Cl7 F30 Fe2 P4 Pd2 -","- C95 H63 Cl7 F30 Fe2 P4 Pd2 -","- C380 H252 Cl28 F120 Fe8 P16 Pd8 -","4","1","","Wang, Yaping; Sturm, Thomas; Steurer, Marianne; Arion, Vladimir B.; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Use in Asymmetric Hydrogenations of Walphos-Type Ligands","Organometallics","2008","27","6","1119","","10.1021/om701103d","","","0.71073","MoKα","","0.0537","0.0418","","","0.0946","0.1012","","","","","","1.021","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070884","10.4499","0.0004","23.0779","0.0011","24.5543","0.0011","90","","90","","90","","5921.6","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","yw242 (R,Rp)-1i","","","- C51 H39 Cl11 F12 Fe O2 P2 Pd -","- C51 H39 Cl11 F12 Fe O2 P2 Pd -","- C204 H156 Cl44 F48 Fe4 O8 P8 Pd4 -","4","1","","Wang, Yaping; Sturm, Thomas; Steurer, Marianne; Arion, Vladimir B.; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Use in Asymmetric Hydrogenations of Walphos-Type Ligands","Organometallics","2008","27","6","1119","","10.1021/om701103d","","","0.71073","MoKα","","0.0451","0.0363","","","0.0771","0.0808","","","","","","1.032","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4070885","9.433","0.004","12.543","0.005","17.474","0.007","90","","90","","90","","2067.5","1.5","297","2","297","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","compound (R,R~p~)-3A(HI)","(R,Sp)-2-(2-bromophenyl)-1-[1-(N,N-dimethylamino)ethyl]-ferrocene hydroiodide","","- C20 H23 Br Fe I N -","- C20 H23 Br Fe I N -","- C80 H92 Br4 Fe4 I4 N4 -","4","1","","Wang, Yaping; Sturm, Thomas; Steurer, Marianne; Arion, Vladimir B.; Mereiter, Kurt; Spindler, Felix; Weissensteiner, Walter","Synthesis, Coordination Behavior, and Use in Asymmetric Hydrogenations of Walphos-Type Ligands","Organometallics","2008","27","6","1119","","10.1021/om701103d","","","0.71073","MoKα","","0.0353","0.0288","","","0.0732","0.0762","","","","","","1.04","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070886","10.3387","0.0017","13.433","0.002","14.932","0.003","90","","96.477","0.003","90","","2060.5","0.6","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Br N2 Rh -","- C22 H30 Br N2 Rh -","- C88 H120 Br4 N8 Rh4 -","4","1","","Türkmen, Hayati; Pape, Tania; Hahn, F. Ekkehardt; Çetinkaya, Bekir","Annulated N-Heterocyclic Carbene Ligands Derived from 2-Methylaminopiperidine: Their Complexes and Catalytic Applications","Organometallics","2008","27","4","571","","10.1021/om701105y","","","0.71073","MoKα","","0.0667","0.0454","","","0.0912","0.0984","","","","","","1.048","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070887","10.364","0.002","13.438","0.003","14.932","0.003","90","","96.208","0.004","90","","2067.4","0.7","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 Br Ir N2 -","- C22 H30 Br Ir N2 -","- C88 H120 Br4 Ir4 N8 -","4","1","","Türkmen, Hayati; Pape, Tania; Hahn, F. Ekkehardt; Çetinkaya, Bekir","Annulated N-Heterocyclic Carbene Ligands Derived from 2-Methylaminopiperidine: Their Complexes and Catalytic Applications","Organometallics","2008","27","4","571","","10.1021/om701105y","","","0.71073","MoKα","","0.0692","0.047","","","0.0836","0.0888","","","","","","1.123","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070888","17.867","0.002","8.7314","0.001","15.9881","0.0019","90","","96.694","0.002","90","","2477.2","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H40 Br Ir N2 -","- C27 H40 Br Ir N2 -","- C108 H160 Br4 Ir4 N8 -","4","1","","Türkmen, Hayati; Pape, Tania; Hahn, F. Ekkehardt; Çetinkaya, Bekir","Annulated N-Heterocyclic Carbene Ligands Derived from 2-Methylaminopiperidine: Their Complexes and Catalytic Applications","Organometallics","2008","27","4","571","","10.1021/om701105y","","","0.71073","MoKα","","0.0556","0.0451","","","0.0821","0.0855","","","","","","1.153","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070889","9.6727","0.0018","10.3984","0.0019","10.748","0.002","114.074","0.003","91.19","0.003","102.036","0.003","958.5","0.3","140","2","140","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H26 N P -","- C22 H26 N P -","- C44 H52 N2 P2 -","2","1","","Shaffer, Andrew R.; Schmidt, Joseph A. R.","Palladium(II) 3-Iminophosphine Complexes as Intermolecular Hydroamination Catalysts for the Formation of Imines and Enamines","Organometallics","2008","27","6","1259","","10.1021/om701106q","","","0.71073","MoKα","","0.0504","0.0431","","","0.1143","0.1181","","","","","","1.036","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070890","12.6691","0.0013","15.0351","0.0015","14.1201","0.0014","90","","94.963","0.002","90","","2679.5","0.5","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23.5 H29 Cl5 N P Pd -","- C23.5 H26 Cl4.5 N P Pd -","- C94 H104 Cl18 N4 P4 Pd4 -","4","1","","Shaffer, Andrew R.; Schmidt, Joseph A. R.","Palladium(II) 3-Iminophosphine Complexes as Intermolecular Hydroamination Catalysts for the Formation of Imines and Enamines","Organometallics","2008","27","6","1259","","10.1021/om701106q","","","0.71073","MoKα","","0.0655","0.0549","","","0.1485","0.1546","","","","","","1.081","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070891","9.9685","0.0006","13.7786","0.0009","17.6498","0.0011","90","","97.424","0.001","90","","2403.9","0.3","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Cl N P Pd -","- C25 H31 Cl N P Pd -","- C100 H124 Cl4 N4 P4 Pd4 -","4","1","","Shaffer, Andrew R.; Schmidt, Joseph A. R.","Palladium(II) 3-Iminophosphine Complexes as Intermolecular Hydroamination Catalysts for the Formation of Imines and Enamines","Organometallics","2008","27","6","1259","","10.1021/om701106q","","","0.71073","MoKα","","0.0311","0.0269","","","0.0663","0.0682","","","","","","1.062","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070892","11.2833","0.0005","8.8106","0.0004","26.981","0.001","90","","99.783","0.001","90","","2643.25","0.19","140","2","140","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C26 H31 F3 N O3 P Pd S -","- C26 H31 F3 N O3 P Pd S -","- C104 H124 F12 N4 O12 P4 Pd4 S4 -","4","1","","Shaffer, Andrew R.; Schmidt, Joseph A. R.","Palladium(II) 3-Iminophosphine Complexes as Intermolecular Hydroamination Catalysts for the Formation of Imines and Enamines","Organometallics","2008","27","6","1259","","10.1021/om701106q","","","0.71073","MoKα","","0.0348","0.0286","","","0.0647","0.067","","","","","","1.043","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070893","15.196","0.003","9.917","0.002","16.573","0.003","90","","107.43","0.03","90","","2382.9","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H36 B9 N3 Zr -","- C17 H36 B9 N3 Zr -","- C68 H144 B36 N12 Zr4 -","4","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metal Complexes Derived from 1-Indenyl-1,2-carborane","Organometallics","2008","27","6","1157","","10.1021/om701108v","","","0.71073","MoKα","","0.0481","0.0455","","","0.13","0.1329","","","","","","1.067","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070894","15.551","0.003","10.17","0.002","19.253","0.004","90","","122.79","0.03","90","","2559.8","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H36 B9 Hf N3 -","- C17 H36 B9 Hf N3 -","- C68 H144 B36 Hf4 N12 -","4","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metal Complexes Derived from 1-Indenyl-1,2-carborane","Organometallics","2008","27","6","1157","","10.1021/om701108v","","","0.71073","MoKα","","0.0903","0.0827","","","0.2076","0.2163","","","","","","1.12","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070895","9.7861","0.0008","13.9424","0.0011","17.7544","0.0014","90","","105.438","0.002","90","","2335","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H32 B9 N O2 Ti -","- C17 H32 B9 N O2 Ti -","- C68 H128 B36 N4 O8 Ti4 -","4","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metal Complexes Derived from 1-Indenyl-1,2-carborane","Organometallics","2008","27","6","1157","","10.1021/om701108v","","","0.71073","MoKα","","0.0946","0.0597","","","0.1492","0.164","","","","","","0.939","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070896","9.4871","0.0019","13.1","0.003","13.729","0.003","94.24","0.03","105.41","0.03","108.92","0.03","1531.9","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H46 B9 N O3 Zr -","- C25 H46 B9 N O3 Zr -","- C50 H92 B18 N2 O6 Zr2 -","2","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metal Complexes Derived from 1-Indenyl-1,2-carborane","Organometallics","2008","27","6","1157","","10.1021/om701108v","","","0.71073","MoKα","","0.1344","0.0647","","","0.1657","0.193","","","","","","1.068","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070897","9.4478","0.0011","14.7429","0.0018","18.82","0.002","90","","97.712","0.002","90","","2597.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H76 B18 Hf2 N2 O6 -","- C40 H76 B18 Hf2 N2 O6 -","- C80 H152 B36 Hf4 N4 O12 -","2","0.5","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metal Complexes Derived from 1-Indenyl-1,2-carborane","Organometallics","2008","27","6","1157","","10.1021/om701108v","","","0.71073","MoKα","","0.0643","0.0328","","","0.0715","0.0902","","","","","","1.1","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070898","17.773","0.002","22.528","0.003","12.7374","0.0014","90","","90","","90","","5099.9","1.1","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C38 H78 B9 N9 Zr -","- C38 H60 B9 N9 Zr -","- C152 H240 B36 N36 Zr4 -","4","0.5","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metal Complexes Derived from 1-Indenyl-1,2-carborane","Organometallics","2008","27","6","1157","","10.1021/om701108v","","","0.71073","MoKα","","0.0928","0.0624","","","0.1716","0.2186","","","","","","1.088","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070899","17.7855","0.0013","22.6517","0.0016","13.1899","0.001","90","","90","","90","","5313.8","0.7","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C44 H84 B9 N9 Zr -","- C44 H66 B9 N9 Zr -","- C176 H264 B36 N36 Zr4 -","4","0.5","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metal Complexes Derived from 1-Indenyl-1,2-carborane","Organometallics","2008","27","6","1157","","10.1021/om701108v","","","0.71073","MoKα","","0.1416","0.0664","","","0.2005","0.2532","","","","","","0.997","","","","has coordinates","178597","2020-10-21","18:00:00",""
"4070900","17.7492","0.0013","22.5137","0.0017","13.1185","0.001","90","","90","","90","","5242.2","0.7","293","2","293","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C44 H84 B9 Hf N9 -","- C44 H66 B9 Hf N9 -","- C176 H264 B36 Hf4 N36 -","4","0.5","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metal Complexes Derived from 1-Indenyl-1,2-carborane","Organometallics","2008","27","6","1157","","10.1021/om701108v","","","0.71073","MoKα","","0.089","0.0413","","","0.1169","0.1398","","","","","","1.042","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070901","10.1562","0.0015","10.8111","0.0016","16.456","0.002","78.112","0.003","73.677","0.003","69.557","0.003","1613.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25.5 H47 B9 N4 Zr -","- C25.5 H43 B9 N4 Zr -","- C51 H86 B18 N8 Zr2 -","2","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metal Complexes Derived from 1-Indenyl-1,2-carborane","Organometallics","2008","27","6","1157","","10.1021/om701108v","","","0.71073","MoKα","","0.0602","0.0459","","","0.1163","0.1291","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4070902","9.627","0.0009","11.5096","0.0011","18.6693","0.0019","86.478","0.002","86.608","0.002","81.024","0.002","2036.8","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H56 B9 N O4 Zr -","- C39 H56 B9 N O4 Zr -","- C78 H112 B18 N2 O8 Zr2 -","2","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metal Complexes Derived from 1-Indenyl-1,2-carborane","Organometallics","2008","27","6","1157","","10.1021/om701108v","","","0.71073","MoKα","","0.1178","0.0619","","","0.1366","0.1737","","","","","","1.017","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070903","15.06","0.002","9.6563","0.0016","8.8505","0.0015","90","","90","","90","","1287.1","0.3","100","2","100","2","","","","","","","synthesis as described","3","C m c 21","C 2c -2","36","","","","- C18 H14 Fe -","- C18 H14 Fe -","- C72 H56 Fe4 -","4","0.5","","Kirillov, Evgueni; Kahlal, Samia; Roisnel, Thierry; Georgelin, Thomas; Saillard, Jean-Yves; Carpentier, Jean-François","Haptotropic Rearrangements in Sandwich (Fluorenyl)(Cyclopentadienyl) Iron and Ruthenium Complexes","Organometallics","2008","27","3","387","","10.1021/om701109z","","x-ray","0.71073","MoKα","","0.0414","0.0326","","","0.0655","0.0675","","","","","","1.037","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070904","8.0286","0.0016","11.2735","0.0018","12.947","0.002","79.004","0.002","80.062","0.002","83.476","0.002","1129.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N4 Si Zn -","- C22 H28 N4 Si Zn -","- C44 H56 N8 Si2 Zn2 -","2","1","","Chai, Zuo-Yun; Zhang, Cheng; Wang, Zhong-Xia","Synthesis, Characterization, and Catalysis in ϵ-Caprolactone Polymerization of Aluminum and Zinc Complexes Supported byN,N,N-Chelate Ligands","Organometallics","2008","27","7","1626","","10.1021/om701112m","","","0.71073","MoKα","","0.1016","0.0522","","","0.0915","0.1103","","","","","","1.037","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070905","9.056","0.003","11.133","0.004","14.071","0.004","78.193","0.01","82.371","0.01","81.054","0.009","1364.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 N4 P Zn -","- C31 H31 N4 P Zn -","- C62 H62 N8 P2 Zn2 -","2","1","","Chai, Zuo-Yun; Zhang, Cheng; Wang, Zhong-Xia","Synthesis, Characterization, and Catalysis in ϵ-Caprolactone Polymerization of Aluminum and Zinc Complexes Supported byN,N,N-Chelate Ligands","Organometallics","2008","27","7","1626","","10.1021/om701112m","","","0.7107","MoKα","","0.0649","0.0458","","","0.1245","0.1386","","","","","","1.031","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070906","27.217","0.002","9.512","0.0009","34.737","0.003","90","","107.876","0.002","90","","8558.8","1.3","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H52 Al N3 P2 Si2 -","- C40 H52 Al N3 P2 Si2 -","- C320 H416 Al8 N24 P16 Si16 -","8","1","","Chai, Zuo-Yun; Zhang, Cheng; Wang, Zhong-Xia","Synthesis, Characterization, and Catalysis in ϵ-Caprolactone Polymerization of Aluminum and Zinc Complexes Supported byN,N,N-Chelate Ligands","Organometallics","2008","27","7","1626","","10.1021/om701112m","","","0.71073","MoKα","","0.2147","0.0785","","","0.172","0.2116","","","","","","1","","","","has coordinates,has disorder","178598","2020-10-21","18:00:00",""
"4070907","11.924","0.001","12.2017","0.0012","14.1673","0.0014","87.485","0.007","69.713","0.004","83.888","0.007","1922.3","0.3","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H47 N3 P2 Si2 Zn -","- C38 H47 N3 P2 Si2 Zn -","- C76 H94 N6 P4 Si4 Zn2 -","2","1","","Chai, Zuo-Yun; Zhang, Cheng; Wang, Zhong-Xia","Synthesis, Characterization, and Catalysis in ϵ-Caprolactone Polymerization of Aluminum and Zinc Complexes Supported byN,N,N-Chelate Ligands","Organometallics","2008","27","7","1626","","10.1021/om701112m","","","0.7107","MoKα","","0.0671","0.0606","","","0.1327","0.1374","","","","","","1.113","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070908","10.7012","0.0014","10.8019","0.0014","22.171","0.003","90","","90","","90","","2562.8","0.6","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H34 Cr O4 Si -","- C28 H34 Cr O4 Si -","- C112 H136 Cr4 O16 Si4 -","4","1","","Paramahamsan, Harinandini; Pearson, Anthony J.; Pinkerton, A. Alan; Zhurova, Elizabeth A.","Toward an Understanding of 1,5-Asymmetric Induction during Nucleophilic Addition to (Arene)chromium Tricarbonyl Complexes: Conformational Preference of the Chromium Tricarbonyl Tripod for Transmission of Chirality","Organometallics","2008","27","5","900","","10.1021/om701117r","","","0.71073","MoKα","","0.0707","0.0392","","","0.0579","0.0632","","","","","","0.898","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070909","7.7412","0.0006","10.9198","0.0008","14.3413","0.001","90","","103.896","0.001","90","","1176.82","0.15","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H32 Cr O4 Si -","- C23 H32 Cr O4 Si -","- C46 H64 Cr2 O8 Si2 -","2","1","","Paramahamsan, Harinandini; Pearson, Anthony J.; Pinkerton, A. Alan; Zhurova, Elizabeth A.","Toward an Understanding of 1,5-Asymmetric Induction during Nucleophilic Addition to (Arene)chromium Tricarbonyl Complexes: Conformational Preference of the Chromium Tricarbonyl Tripod for Transmission of Chirality","Organometallics","2008","27","5","900","","10.1021/om701117r","","","0.71073","MoKα","","0.0508","0.0508","","","0.1123","0.1123","","","","","","1.398","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070910","9.0373","0.0013","10.5947","0.0015","25.708","0.004","90","","96.084","0.002","90","","2447.6","0.6","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H32 Cr O6 Si -","- C24 H32 Cr O6 Si -","- C96 H128 Cr4 O24 Si4 -","4","2","","Paramahamsan, Harinandini; Pearson, Anthony J.; Pinkerton, A. Alan; Zhurova, Elizabeth A.","Toward an Understanding of 1,5-Asymmetric Induction during Nucleophilic Addition to (Arene)chromium Tricarbonyl Complexes: Conformational Preference of the Chromium Tricarbonyl Tripod for Transmission of Chirality","Organometallics","2008","27","5","900","","10.1021/om701117r","","","0.71073","MoKα","","0.0743","0.0631","","","0.113","0.1173","","","","","","1.077","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070911","9.891","0.0006","11.804","0.0007","21.654","0.0013","90.608","0.001","93.615","0.001","111.042","0.001","2353.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","3","","","- C36 H80 N12 Sr2 -","- C36 H80 N12 Sr2 -","- C72 H160 N24 Sr4 -","2","1","","Cameron, Thomas M.; Xu, Chongying; Dipasquale, Antonio G.; Rheingold, Arnold L.","Synthesis and Structure of Strontium and Barium Guanidinates and Mixed-Ligand Guanidinate Pentamethylcyclopentadienyl Complexes","Organometallics","2008","27","7","1596","","10.1021/om701118j","","","0.71073","MoKα","","0.0441","0.033","","","0.0801","0.0845","","","","","","1.04","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4070912","15.289","0.0018","23.481","0.003","34.845","0.004","90","","90","","90","","12509","3","208","2","208","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4","","","- C52 H112 N12 Sr2 -","- C52 H112 N12 Sr2 -","- C416 H896 N96 Sr16 -","8","1","","Cameron, Thomas M.; Xu, Chongying; Dipasquale, Antonio G.; Rheingold, Arnold L.","Synthesis and Structure of Strontium and Barium Guanidinates and Mixed-Ligand Guanidinate Pentamethylcyclopentadienyl Complexes","Organometallics","2008","27","7","1596","","10.1021/om701118j","","","0.71073","MoKα","","0.0906","0.0438","","","0.0932","0.1095","","","","","","1","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4070913","12.015","0.0015","12.68","0.0016","16.614","0.002","90","","102.513","0.002","90","","2471","0.5","208","2","208","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","6","","","- C46 H86 N6 Sr2 -","- C46 H86 N6 Sr2 -","- C92 H172 N12 Sr4 -","2","0.5","","Cameron, Thomas M.; Xu, Chongying; Dipasquale, Antonio G.; Rheingold, Arnold L.","Synthesis and Structure of Strontium and Barium Guanidinates and Mixed-Ligand Guanidinate Pentamethylcyclopentadienyl Complexes","Organometallics","2008","27","7","1596","","10.1021/om701118j","","","0.71073","MoKα","","0.049","0.0362","","","0.0806","0.0858","","","","","","1.022","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070914","10.435","0.0008","14.508","0.0011","19.957","0.0014","90","","90","","90","","3021.3","0.4","100","2","100","2","","","","","","","","4","P n n n :2","-P 2ab 2bc","48","7","","","- C52 H112 Ba2 N12 -","- C52 H112 Ba2 N12 -","- C104 H224 Ba4 N24 -","2","0.25","","Cameron, Thomas M.; Xu, Chongying; Dipasquale, Antonio G.; Rheingold, Arnold L.","Synthesis and Structure of Strontium and Barium Guanidinates and Mixed-Ligand Guanidinate Pentamethylcyclopentadienyl Complexes","Organometallics","2008","27","7","1596","","10.1021/om701118j","","","0.71073","MoKα","","0.0399","0.0362","","","0.0754","0.0773","","","","","","1.115","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070915","14.292","0.003","19.633","0.004","19.719","0.004","90","","101.181","0.003","90","","5428","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","8","","","- C52 H92 Ba2 N6 -","- C46 H86 Ba2 N6 -","- C184 H344 Ba8 N24 -","4","0.5","","Cameron, Thomas M.; Xu, Chongying; Dipasquale, Antonio G.; Rheingold, Arnold L.","Synthesis and Structure of Strontium and Barium Guanidinates and Mixed-Ligand Guanidinate Pentamethylcyclopentadienyl Complexes","Organometallics","2008","27","7","1596","","10.1021/om701118j","","","0.71073","MoKα","","0.0915","0.0899","","","0.2457","0.2461","","","","","","1.316","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4070916","29.443","0.002","9.677","0.0007","16.596","0.0012","90","","110.455","0.001","90","","4430.4","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","10","","","- C30 H74 N6 O Si4 Sr -","- C30 H74 N6 O Si4 Sr -","- C120 H296 N24 O4 Si16 Sr4 -","4","0.5","","Cameron, Thomas M.; Xu, Chongying; Dipasquale, Antonio G.; Rheingold, Arnold L.","Synthesis and Structure of Strontium and Barium Guanidinates and Mixed-Ligand Guanidinate Pentamethylcyclopentadienyl Complexes","Organometallics","2008","27","7","1596","","10.1021/om701118j","","","0.71073","MoKα","","0.0296","0.0261","","","0.0642","0.0657","","","","","","1.045","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070917","13.2577","0.0002","14.4217","0.0003","28.4727","0.0004","90","","103.202","0.001","90","","5300.06","0.16","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C55 H80 Ca N4 O P -","- C55 H80 Ca N4 O P -","- C220 H320 Ca4 N16 O4 P4 -","4","1","","Crimmin, Mark R.; Barrett, Anthony G. M.; Hill, Michael S.; Hitchcock, Peter B.; Procopiou, Panayiotis A.","Heavier Group 2 Element Catalyzed Hydrophosphination of Carbodiimides","Organometallics","2008","27","4","497","","10.1021/om7011198","","x-ray","0.71073","MoKα","","0.0684","0.0449","","","0.1052","0.1177","","","","","","0.989","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4070918","8.376","0.003","16.629","0.006","23.453","0.008","90","","90","","90","","3267","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C15 H19 Co I N S -","- C15 H19 Co I N S -","- C120 H152 Co8 I8 N8 S8 -","8","1","","Liu, Shu; Wang, Hui; Zhang, Peng-Cheng; Weng, Lin-Hong; Hou, Xiu-Feng","Synthesis and Structure of Half-Sandwich Pyridine-2-thiolato Cobalt(III) and Rhodium(III) Complexes and Their Reactivity toward Monodentate or Bidentate 1,2-Dicarba-closo-dodecaborane Thiolate Ligands","Organometallics","2008","27","4","713","","10.1021/om701120w","","","0.71073","MoKα","","0.0443","0.0343","","","0.0769","0.0809","","","","","","0.99","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070919","12.712","0.004","7.541","0.003","16.181","0.006","90","","92.081","0.005","90","","1550.1","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 Cl N Rh S -","- C15 H19 Cl N Rh S -","- C60 H76 Cl4 N4 Rh4 S4 -","4","1","","Liu, Shu; Wang, Hui; Zhang, Peng-Cheng; Weng, Lin-Hong; Hou, Xiu-Feng","Synthesis and Structure of Half-Sandwich Pyridine-2-thiolato Cobalt(III) and Rhodium(III) Complexes and Their Reactivity toward Monodentate or Bidentate 1,2-Dicarba-closo-dodecaborane Thiolate Ligands","Organometallics","2008","27","4","713","","10.1021/om701120w","","","0.71073","MoKα","","0.0397","0.0293","","","0.069","0.0726","","","","","","0.974","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070920","10.934","0.003","19.396","0.006","23.402","0.007","90","","90","","90","","4963","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H30 B10 Co N S2 -","- C17 H30 B10 Co N S2 -","- C136 H240 B80 Co8 N8 S16 -","8","1","","Liu, Shu; Wang, Hui; Zhang, Peng-Cheng; Weng, Lin-Hong; Hou, Xiu-Feng","Synthesis and Structure of Half-Sandwich Pyridine-2-thiolato Cobalt(III) and Rhodium(III) Complexes and Their Reactivity toward Monodentate or Bidentate 1,2-Dicarba-closo-dodecaborane Thiolate Ligands","Organometallics","2008","27","4","713","","10.1021/om701120w","","","0.71073","MoKα","","0.1268","0.047","","","0.0754","0.0903","","","","","","0.768","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070921","14.608","0.009","12.793","0.008","26.283","0.016","90","","94.7","0.01","90","","4895","5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H30 B10 Co N S2 -","- C17 H30 B10 Co N S2 -","- C136 H240 B80 Co8 N8 S16 -","8","2","","Liu, Shu; Wang, Hui; Zhang, Peng-Cheng; Weng, Lin-Hong; Hou, Xiu-Feng","Synthesis and Structure of Half-Sandwich Pyridine-2-thiolato Cobalt(III) and Rhodium(III) Complexes and Their Reactivity toward Monodentate or Bidentate 1,2-Dicarba-closo-dodecaborane Thiolate Ligands","Organometallics","2008","27","4","713","","10.1021/om701120w","","","0.71073","MoKα","","0.1533","0.0601","","","0.1212","0.1457","","","","","","0.778","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070922","10.429","0.003","11.533","0.004","11.584","0.004","81.027","0.004","67.195","0.004","77.123","0.004","1248.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H30 B10 N Rh S2 -","- C17 H30 B10 N Rh S2 -","- C34 H60 B20 N2 Rh2 S4 -","2","1","","Liu, Shu; Wang, Hui; Zhang, Peng-Cheng; Weng, Lin-Hong; Hou, Xiu-Feng","Synthesis and Structure of Half-Sandwich Pyridine-2-thiolato Cobalt(III) and Rhodium(III) Complexes and Their Reactivity toward Monodentate or Bidentate 1,2-Dicarba-closo-dodecaborane Thiolate Ligands","Organometallics","2008","27","4","713","","10.1021/om701120w","","","0.71073","MoKα","","0.0857","0.0518","","","0.1243","0.1347","","","","","","0.888","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070923","8.266","0.003","10.433","0.003","14.475","0.005","99.515","0.005","96.993","0.004","100.783","0.004","1194.3","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H28 B10 Co N S3 -","- C17 H28 B10 Co N S3 -","- C34 H56 B20 Co2 N2 S6 -","2","1","","Liu, Shu; Wang, Hui; Zhang, Peng-Cheng; Weng, Lin-Hong; Hou, Xiu-Feng","Synthesis and Structure of Half-Sandwich Pyridine-2-thiolato Cobalt(III) and Rhodium(III) Complexes and Their Reactivity toward Monodentate or Bidentate 1,2-Dicarba-closo-dodecaborane Thiolate Ligands","Organometallics","2008","27","4","713","","10.1021/om701120w","","","0.71073","MoKα","","0.0716","0.0565","","","0.146","0.1545","","","","","","1.004","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070924","12.5058","0.0004","7.2918","0.0002","29.657","0.0011","90","","95.284","0.002","90","","2692.92","0.15","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H32 Cl F6 Ir N2 P2 -","- C26 H32 Cl F6 Ir N2 P2 -","- C104 H128 Cl4 F24 Ir4 N8 P8 -","4","1","","Song, Guoyong; Wang, Xinjiao; Li, Yongxin; Li, Xingwei","Iridium Abnormal N-Heterocyclic Carbene Hydrides via Highly Selective C−H Activation","Organometallics","2008","27","6","1187","","10.1021/om7011216","","","0.71073","MoKα","","0.0391","0.033","","","0.0849","0.098","","","","","","1.091","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070925","12.837","0.0005","18.8931","0.0008","23.392","0.001","90","","90","","90","","5673.3","0.4","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C27 H34 Cl F6 Ir N2 P2 -","- C27 H34 Cl F6 Ir N2 P2 -","- C216 H272 Cl8 F48 Ir8 N16 P16 -","8","1","","Song, Guoyong; Wang, Xinjiao; Li, Yongxin; Li, Xingwei","Iridium Abnormal N-Heterocyclic Carbene Hydrides via Highly Selective C−H Activation","Organometallics","2008","27","6","1187","","10.1021/om7011216","","","0.71073","MoKα","","0.0356","0.0247","","","0.0568","0.065","","","","","","1.034","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070926","7.1098","0.0007","12.5886","0.0014","14.7792","0.0019","68.372","0.01","77.1","0.008","76.065","0.009","1180.1","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","Bis(benzonitrile)Bis(pentafluorophenyl)zinc","","","- C26 H10 F10 N2 Zn -","- C26 H10 F10 N2 Zn -","- C52 H20 F20 N4 Zn2 -","2","1","","Martin, Eddy; Spendley, Claire; Mountford, Andrew J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Lancaster, Simon J.","Synthesis, Structure, and Supramolecular Architecture of Benzonitrile and Pyridine Adducts of Bis(pentafluorophenyl)zinc: Pentafluorophenyl‒Aryl Interactions versus Homoaromatic Pairing","Organometallics","2008","27","7","1436","","10.1021/om701127p","","","0.71073","MoKα","","0.0469","0.0332","","","0.0771","0.0817","","","","","","1.029","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070927","31.3419","0.0006","6.7316","0.0001","32.006","0.0006","90","","112.57","0.001","90","","6235.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 2","","","- C38 H18 F10 N2 Zn -","- C38 H18 F10 N2 Zn -","- C304 H144 F80 N16 Zn8 -","8","2","","Martin, Eddy; Spendley, Claire; Mountford, Andrew J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Lancaster, Simon J.","Synthesis, Structure, and Supramolecular Architecture of Benzonitrile and Pyridine Adducts of Bis(pentafluorophenyl)zinc: Pentafluorophenyl‒Aryl Interactions versus Homoaromatic Pairing","Organometallics","2008","27","7","1436","","10.1021/om701127p","","","0.71073","MoKα","","0.1313","0.0766","","","0.0908","0.1039","","","","","","1.082","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070928","13.48","0.003","30.713","0.006","16.796","0.003","90","","98.45","0.03","90","","6878","2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 2.tol","Bis(4-phenylbenzonitrile)bis(pentafluorophenyl) zinc.toluene","","- C41.5 H22 F10 N2 Zn -","- C41.5 H22 F10 N2 Zn -","- C332 H176 F80 N16 Zn8 -","8","1","","Martin, Eddy; Spendley, Claire; Mountford, Andrew J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Lancaster, Simon J.","Synthesis, Structure, and Supramolecular Architecture of Benzonitrile and Pyridine Adducts of Bis(pentafluorophenyl)zinc: Pentafluorophenyl‒Aryl Interactions versus Homoaromatic Pairing","Organometallics","2008","27","7","1436","","10.1021/om701127p","","","0.71073","MoKα","","0.0703","0.0419","","","0.1005","0.1101","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070929","8.0378","0.0005","14.0455","0.0007","14.551","0.0009","114.357","0.006","91.807","0.005","97.603","0.005","1476.6","0.17","140","1","140","1","","","","","","","","5","P -1","-P 1","2","Compound 3","","","- C34 H16 F10 N4 Zn -","- C34 H16 F10 N4 Zn -","- C68 H32 F20 N8 Zn2 -","2","1","","Martin, Eddy; Spendley, Claire; Mountford, Andrew J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Lancaster, Simon J.","Synthesis, Structure, and Supramolecular Architecture of Benzonitrile and Pyridine Adducts of Bis(pentafluorophenyl)zinc: Pentafluorophenyl‒Aryl Interactions versus Homoaromatic Pairing","Organometallics","2008","27","7","1436","","10.1021/om701127p","","","0.71073","MoKα","","0.0258","0.0229","","","0.0617","0.0627","","","","","","1.065","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070930","16.1446","0.0009","10.2398","0.0007","13.2794","0.0006","90","","106.979","0.004","90","","2099.6","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 4","","","- C22 H10 F10 N2 Zn -","- C22 H10 F10 N2 Zn -","- C88 H40 F40 N8 Zn4 -","4","1","","Martin, Eddy; Spendley, Claire; Mountford, Andrew J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Lancaster, Simon J.","Synthesis, Structure, and Supramolecular Architecture of Benzonitrile and Pyridine Adducts of Bis(pentafluorophenyl)zinc: Pentafluorophenyl‒Aryl Interactions versus Homoaromatic Pairing","Organometallics","2008","27","7","1436","","10.1021/om701127p","","","0.71073","MoKα","","0.0349","0.0269","","","0.0695","0.0722","","","","","","1.047","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070931","17.399","0.003","17.399","0.003","19.3","0.004","90","","90","","90","","5842.6","1.9","120","2","120","2","","","","","","","","5","I -4 2 d","I -4 2bw","122","Compound 5","","","- C34 H18 F10 N2 Zn -","- C34 H18 F10 N2 Zn -","- C272 H144 F80 N16 Zn8 -","8","0.5","","Martin, Eddy; Spendley, Claire; Mountford, Andrew J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Lancaster, Simon J.","Synthesis, Structure, and Supramolecular Architecture of Benzonitrile and Pyridine Adducts of Bis(pentafluorophenyl)zinc: Pentafluorophenyl‒Aryl Interactions versus Homoaromatic Pairing","Organometallics","2008","27","7","1436","","10.1021/om701127p","","","0.71073","MoKα","","0.0505","0.036","","","0.0651","0.0685","","","","","","1.025","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070932","17.2349","0.0003","17.2349","0.0003","19.0106","0.0005","90","","90","","90","","5646.9","0.2","140","1","140","1","","","","","","","","5","I -4 2 d","I -4 2bw","122","Compound 6","","","- C30 H16 F10 N4 Zn -","- C30 H16 F10 N4 Zn -","- C240 H128 F80 N32 Zn8 -","8","0.5","","Martin, Eddy; Spendley, Claire; Mountford, Andrew J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Lancaster, Simon J.","Synthesis, Structure, and Supramolecular Architecture of Benzonitrile and Pyridine Adducts of Bis(pentafluorophenyl)zinc: Pentafluorophenyl‒Aryl Interactions versus Homoaromatic Pairing","Organometallics","2008","27","7","1436","","10.1021/om701127p","","","0.71073","MoKα","","0.0428","0.0292","","","0.0444","0.0496","","","","","","1.058","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070933","13.5735","0.0019","16.06","0.002","15.706","0.002","90","","100.134","0.002","90","","3370.3","0.8","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H48 O2 Si2 Zr -","- C35 H48 O2 Si2 Zr -","- C140 H192 O8 Si8 Zr4 -","4","1","","Bazinet, Patrick; Tilley, T. Don","Octa- and Nonamethylfluorenyl Complexes of Zr(II), Zr(IV), and Hf(IV). Investigation of Steric and Electronic Effects","Organometallics","2008","27","6","1267","","10.1021/om701133e","","","0.71073","MoKα","","0.0524","0.0428","","","0.1043","0.1086","","","","","","1.093","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070934","11.8741","0.0009","15.1861","0.0011","18.4029","0.0014","90","","103.33","0.001","90","","3229","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 O2 Si2 Zr -","- C34 H46 O2 Si2 Zr -","- C136 H184 O8 Si8 Zr4 -","4","1","","Bazinet, Patrick; Tilley, T. Don","Octa- and Nonamethylfluorenyl Complexes of Zr(II), Zr(IV), and Hf(IV). Investigation of Steric and Electronic Effects","Organometallics","2008","27","6","1267","","10.1021/om701133e","","","0.71073","MoKα","","0.0434","0.0364","","","0.0981","0.1026","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4070935","15.7039","0.0016","13.2091","0.0014","32.361","0.003","90","","101.991","0.002","90","","6566.3","1.1","145","2","145","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H48 Cl2 Si2 Zr -","- C33 H48 Cl2 Si2 Zr -","- C264 H384 Cl16 Si16 Zr8 -","8","1","","Bazinet, Patrick; Tilley, T. Don","Octa- and Nonamethylfluorenyl Complexes of Zr(II), Zr(IV), and Hf(IV). Investigation of Steric and Electronic Effects","Organometallics","2008","27","6","1267","","10.1021/om701133e","","","0.71073","MoKα","","0.0761","0.0524","","","0.1254","0.1363","","","","","","1.047","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070936","12.114","0.003","33.003","0.007","13.766","0.003","90","","111.041","0.001","90","","5137","2","123.2","","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H90 Si10 -","- C36 H90 Si10 -","- C144 H360 Si40 -","4","1","","Ueba-Ohshima, Kiyomi; Iwamoto, Takeaki; Kira, Mitsuo","Synthesis, Structure, and Facile Ring Flipping of a Bicyclo[1.1.0]tetrasilane","Organometallics","2008","27","3","320","","10.1021/om7011375","","","0.7107","MoKα","","0.0758","0.0719","","","0.133","0.1349","","","","","","1.321","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070937","10.6236","0.0001","12.1382","0.0004","12.6622","0.0002","66.232","0.007","85.365","0.01","64.031","0.007","1334.33","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H90 Br2 Si10 -","- C36 H90 Br2 Si10 -","- C36 H90 Br2 Si10 -","1","0.5","","Ueba-Ohshima, Kiyomi; Iwamoto, Takeaki; Kira, Mitsuo","Synthesis, Structure, and Facile Ring Flipping of a Bicyclo[1.1.0]tetrasilane","Organometallics","2008","27","3","320","","10.1021/om7011375","","","0.7107","MoKα","","0.0294","0.0278","","","0.0683","0.0694","","","","","","1.071","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070938","17.312","0.004","13.681","0.003","28.015","0.006","90","","90","","90","","6635","3","110","","110","","","","","","","","synthesis as described","6","P b c a","-P 2ac 2ab","61","","","","- C33 H44 B Cl4 P Ru -","- C33 H44 B Cl4 P Ru -","- C264 H352 B8 Cl32 P8 Ru8 -","8","1","","Vergnaud, Jérôme; Grellier, Mary; Bouhadir, Ghenwa; Vendier, Laure; Sabo-Etienne, Sylviane; Bourissou, Didier","Synthesis and Reactivity of Ruthenium Arene Complexes Incorporating Novel Ph2PCH2CH2BR2Ligands. Easy Access to the Four-Membered Ruthenacycle [(p-cymene)RuCl(κC,P-CH2CH2PPh2)]","Organometallics","2008","27","6","1140","","10.1021/om701139a","","","","MoKα","","0.1549","0.0766","","","0.13","0.1551","","","","","","1.119","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070939","7.942","0.0004","11.1756","0.0005","13.0715","0.0006","77.024","0.004","73.311","0.004","82.677","0.004","1080.47","0.09","110","","110","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C24 H28 Cl P Ru -","- C24 H28 Cl P Ru -","- C48 H56 Cl2 P2 Ru2 -","2","1","","Vergnaud, Jérôme; Grellier, Mary; Bouhadir, Ghenwa; Vendier, Laure; Sabo-Etienne, Sylviane; Bourissou, Didier","Synthesis and Reactivity of Ruthenium Arene Complexes Incorporating Novel Ph2PCH2CH2BR2Ligands. Easy Access to the Four-Membered Ruthenacycle [(p-cymene)RuCl(κC,P-CH2CH2PPh2)]","Organometallics","2008","27","6","1140","","10.1021/om701139a","","","","MoKα","","0.058","0.0316","","","0.0545","0.0589","","","","","","0.917","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070940","12.987","0.0013","14.438","0.0014","13.769","0.0011","90","","92.25","0.008","90","","2579.8","0.4","298","2","298","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H56 N2 Ni2 P6 -","- C58 H56 N2 Ni2 P6 -","- C116 H112 N4 Ni4 P12 -","2","0.5","","Acosta-Ramírez, Alberto; Flores-Álamo, Marcos; Jones, William D.; García, Juventino J.","P−C Bond Scission at the TRIPHOS Ligand and C−CN Bond Cleavage in 2-Methyl-3-butenenitrile with [Ni(COD)2]","Organometallics","2008","27","8","1834","","10.1021/om7011425","","x-ray","0.71073","MoKα","","0.043","0.0344","","","0.0897","0.0935","","","","","","1.056","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070941","7.663","0.0018","19.375","0.005","21.757","0.007","90","","90","","90","","3230.3","1.5","298","2","298","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H33 N2 Ni P3 -","- C36 H33 N2 Ni P3 -","- C144 H132 N8 Ni4 P12 -","4","1","","Acosta-Ramírez, Alberto; Flores-Álamo, Marcos; Jones, William D.; García, Juventino J.","P−C Bond Scission at the TRIPHOS Ligand and C−CN Bond Cleavage in 2-Methyl-3-butenenitrile with [Ni(COD)2]","Organometallics","2008","27","8","1834","","10.1021/om7011425","","x-ray","0.71073","MoKα","","0.0797","0.0482","","","0.0925","0.1051","","","","","","1.035","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070942","10.345","0.001","11.529","0.002","13.657","0.002","88.342","0.002","80.331","0.002","78.733","0.002","1574.7","0.4","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H31 N2 P Ru S2 -","- C37 H31 N2 P Ru S2 -","- C74 H62 N4 P2 Ru2 S4 -","2","1","","Armitt, David J.; Bruce, Michael I.; Skelton, Brian W.; White, Allan H.","Reactions of Alkynyl−Ruthenium Complexes with the Ketene Dithioacetal, (MeS)2CC(CN)2","Organometallics","2008","27","14","3556","","10.1021/om7011437","","","0.71073","MoKα","","0.059","0.048","","","0.096","0.109","","","","0.995","0.995","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070943","11.017","0.0009","12.958","0.001","13.858","0.001","113.835","0.001","91.729","0.002","96.604","0.001","1791.2","0.2","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C39 H33 Cl2 N2 O P Ru S2 -","- C39 H33 Cl2 N2 O P Ru S2 -","- C78 H66 Cl4 N4 O2 P2 Ru2 S4 -","2","1","","Armitt, David J.; Bruce, Michael I.; Skelton, Brian W.; White, Allan H.","Reactions of Alkynyl−Ruthenium Complexes with the Ketene Dithioacetal, (MeS)2CC(CN)2","Organometallics","2008","27","14","3556","","10.1021/om7011437","","","0.71073","MoKα","","0.035","0.031","","","0.066","0.073","","","","1","1","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070944","11.2373","0.0007","14.751","0.0006","11.6038","0.0005","90","","95.161","0.004","90","","1915.66","0.17","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O Ru S2 -","- C20 H16 N2 O Ru S2 -","- C80 H64 N8 O4 Ru4 S8 -","4","1","","Armitt, David J.; Bruce, Michael I.; Skelton, Brian W.; White, Allan H.","Reactions of Alkynyl−Ruthenium Complexes with the Ketene Dithioacetal, (MeS)2CC(CN)2","Organometallics","2008","27","14","3556","","10.1021/om7011437","","","0.71073","MoKα","","0.047","0.047","","","0.095","0.095","","","","1.062","1.062","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070945","10.481","0.002","17.294","0.002","10.778","0.001","90","","103.73","0.004","90","","1897.8","0.5","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O Ru S2 -","- C20 H16 N2 O Ru S2 -","- C80 H64 N8 O4 Ru4 S8 -","4","1","","Armitt, David J.; Bruce, Michael I.; Skelton, Brian W.; White, Allan H.","Reactions of Alkynyl−Ruthenium Complexes with the Ketene Dithioacetal, (MeS)2CC(CN)2","Organometallics","2008","27","14","3556","","10.1021/om7011437","","","0.71073","MoKα","","0.033","0.027","","","0.056","0.065","","","","0.926","0.926","1.002","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070946","9.72","0.002","13.312","0.002","13.636","0.003","97.32","0.02","100.57","0.02","108.64","0.02","1610.4","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H31 N2 P Ru S2 -","- C39 H31 N2 P Ru S2 -","- C78 H62 N4 P2 Ru2 S4 -","2","1","","Armitt, David J.; Bruce, Michael I.; Skelton, Brian W.; White, Allan H.","Reactions of Alkynyl−Ruthenium Complexes with the Ketene Dithioacetal, (MeS)2CC(CN)2","Organometallics","2008","27","14","3556","","10.1021/om7011437","","","0.71073","MoKα","","0.145","0.061","","0.243","","0.135","","","1.103","","","1.103","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070947","14.4","0.001","10.748","0.0009","22.054","0.002","90","","103.395","0.002","90","","3320.5","0.5","170","","170","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H31 N2 O4 P Ru -","- C39 H31 N2 O4 P Ru -","- C156 H124 N8 O16 P4 Ru4 -","4","1","","Armitt, David J.; Bruce, Michael I.; Skelton, Brian W.; White, Allan H.","Reactions of Alkynyl−Ruthenium Complexes with the Ketene Dithioacetal, (MeS)2CC(CN)2","Organometallics","2008","27","14","3556","","10.1021/om7011437","","","0.71073","MoKα","","0.091","0.051","","","0.102","0.168","","","","0.98","0.98","1.112","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070948","11.743","0.006","12.886","0.006","16.755","0.008","83.32","0.01","84.748","0.009","85.872","0.01","2503","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H51 Ir N4 O3 Si -","- C54 H46 Ir N4 O3 Si -","- C108 H92 Ir2 N8 O6 Si2 -","2","1","","Li, Baozhu; Chan, Kin Shing","Base-Promoted Silicon−Hydrogen Bond Activation of Silanes by Iridium(III) Porphyrin Complexes","Organometallics","2008","27","16","4034","","10.1021/om701144a","","","0.71073","MoKα","","0.0677","0.0545","","","0.1436","0.1555","","","","","","1.072","","","","has coordinates,has disorder","178598","2020-10-21","18:00:00",""
"4070949","13.78","0.002","51.702","0.009","15.311","0.003","90","","97.874","0.004","90","","10806","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57.25 H49.5 Cl0.5 Ir N4 Si -","- C57.25 H44 Cl0.5 Ir N4 Si -","- C458 H352 Cl4 Ir8 N32 Si8 -","8","2","","Li, Baozhu; Chan, Kin Shing","Base-Promoted Silicon−Hydrogen Bond Activation of Silanes by Iridium(III) Porphyrin Complexes","Organometallics","2008","27","16","4034","","10.1021/om701144a","","","0.71073","MoKα","","0.1371","0.0986","","","0.2632","0.2851","","","","","","1.138","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4070950","7.4968","0.0002","9.9044","0.0004","21.6197","0.0007","90","","97.241","0.002","90","","1592.49","0.09","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 Cl2 N4 Pd2 -","- C34 H34 Cl2 N4 Pd2 -","- C68 H68 Cl4 N8 Pd4 -","2","0.5","","Hadzovic, Alen; Song, Datong","Synthesis, Characterization, and Reactivity of a Versatile Dinuclear Palladium β-Diiminate Complex","Organometallics","2008","27","6","1290","","10.1021/om701147k","","","0.71073","MoKα","","0.0504","0.0411","","","0.1021","0.1099","","","","","","1.069","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070951","29.454","0.001","14.3066","0.0006","15.0385","0.0005","90","","112.939","0.005","90","","5835.9","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H31 Cl N4 Pd -","- C33 H31 Cl N4 Pd -","- C264 H248 Cl8 N32 Pd8 -","8","1","","Hadzovic, Alen; Song, Datong","Synthesis, Characterization, and Reactivity of a Versatile Dinuclear Palladium β-Diiminate Complex","Organometallics","2008","27","6","1290","","10.1021/om701147k","","","0.71073","MoKα","","0.0669","0.0458","","","0.1107","0.1243","","","","","","1.022","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070952","9.3629","0.0005","10.1302","0.0006","20.1619","0.0012","97.107","0.004","93.707","0.003","114.448","0.003","1713.21","0.18","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H17 Cl N2 O Pd -","- C18 H17 Cl N2 O Pd -","- C72 H68 Cl4 N8 O4 Pd4 -","4","2","","Hadzovic, Alen; Song, Datong","Synthesis, Characterization, and Reactivity of a Versatile Dinuclear Palladium β-Diiminate Complex","Organometallics","2008","27","6","1290","","10.1021/om701147k","","","0.71073","MoKα","","0.0813","0.0681","","","0.1776","0.1906","","","","","","1.076","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070953","17.8544","0.0004","11.2625","0.0002","18.3314","0.0004","90","","90.086","0.001","90","","3686.17","0.13","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 Cl2 N4 O4 Pd2 -","- C38 H38 Cl2 N4 O4 Pd2 -","- C152 H152 Cl8 N16 O16 Pd8 -","4","1","","Hadzovic, Alen; Song, Datong","Synthesis, Characterization, and Reactivity of a Versatile Dinuclear Palladium β-Diiminate Complex","Organometallics","2008","27","6","1290","","10.1021/om701147k","","","0.71073","MoKα","","0.0733","0.0413","","","0.0832","0.0961","","","","","","1.038","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070954","12.6173","0.0003","19.6119","0.0008","20.1906","0.0008","86.249","0.001","85.637","0.002","87.367","0.002","4966.8","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C104 H96 Cl8 Cu6 N12 Pd2 -","- C104 H96 Cl8 Cu6 N12 Pd2 -","- C208 H192 Cl16 Cu12 N24 Pd4 -","2","1","","Hadzovic, Alen; Song, Datong","Synthesis, Characterization, and Reactivity of a Versatile Dinuclear Palladium β-Diiminate Complex","Organometallics","2008","27","6","1290","","10.1021/om701147k","","","0.71073","MoKα","","0.1263","0.0621","","","0.1382","0.1681","","","","","","1.004","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070955","11.3511","0.0003","26.364","0.0007","36.2376","0.0009","90","","98.736","0.001","90","","10718.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C61 H76 N2 O Th -","- C61 H76 N2 O Th -","- C488 H608 N16 O8 Th8 -","8","2","","Cruz, Carlos A.; Emslie, David J. H.; Harrington, Laura E.; Britten, James F.","Single and Double Alkyl Abstraction from a Bis(anilido)xanthene Thorium(IV) Dibenzyl Complex: Isolation of an Organothorium Cation and a Thorium Dication","Organometallics","2008","27","1","15","","10.1021/om7011503","","","0.71073","MoKα","","0.1006","0.0459","","","0.0918","0.1067","","","","","","1.124","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070956","13.836","0.0016","16.6177","0.0019","25.57","0.003","76.793","0.002","87.806","0.003","89.678","0.002","5719.4","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C127 H121 B2 F30 N2 O Th -","- C127 H121 B2 F30 N2 O Th -","- C254 H242 B4 F60 N4 O2 Th2 -","2","1","","Cruz, Carlos A.; Emslie, David J. H.; Harrington, Laura E.; Britten, James F.","Single and Double Alkyl Abstraction from a Bis(anilido)xanthene Thorium(IV) Dibenzyl Complex: Isolation of an Organothorium Cation and a Thorium Dication","Organometallics","2008","27","1","15","","10.1021/om7011503","","","0.71073","MoKα","","0.1586","0.0722","","","0.1341","0.1653","","","","","","0.97","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070957","16.4072","0.0005","11.7609","0.0004","18.791","0.0005","90","","90.501","0.002","90","","3625.84","0.19","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H61 Si2 Sm -","- C36 H61 Si2 Sm -","- C144 H244 Si8 Sm4 -","4","1","","Summerscales, Owen T.; Johnston, David R.; Cloke, F. Geoffrey N.; Hitchcock, Peter B.","Samarium(III) Pentalene Sandwich Compounds [Sm(η8-C8H4{SiiPr3-1,4}2)(Cp*)] and [Sm(η8-C8H4{SiiPr3-1,4}2)(η5-C8H5{SiiPr3-1,4}2)] and a Mixed-Valence Hexasamarium Cluster Derived from Sm(II)-Based Solvent Activation","Organometallics","2008","27","21","5612","","10.1021/om701152k","","x-ray","0.71073","MoKα","","0.0658","0.0423","","","0.0927","0.1039","","","","","","1.006","","","","has coordinates,has disorder","178598","2020-10-21","18:00:00",""
"4070958","12.3431","0.0004","14.8321","0.0006","17.3332","0.0007","105.321","0.002","96.621","0.002","97.124","0.002","3000.3","0.2","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C59 H101 Si4 Sm -","- C59 H101 Si4 Sm -","- C118 H202 Si8 Sm2 -","2","1","","Summerscales, Owen T.; Johnston, David R.; Cloke, F. Geoffrey N.; Hitchcock, Peter B.","Samarium(III) Pentalene Sandwich Compounds [Sm(η8-C8H4{SiiPr3-1,4}2)(Cp*)] and [Sm(η8-C8H4{SiiPr3-1,4}2)(η5-C8H5{SiiPr3-1,4}2)] and a Mixed-Valence Hexasamarium Cluster Derived from Sm(II)-Based Solvent Activation","Organometallics","2008","27","21","5612","","10.1021/om701152k","","x-ray","0.71073","MoKα","","0.0832","0.0556","","","0.0998","0.109","","","","","","1.066","","","","has coordinates,has disorder","178598","2020-10-21","18:00:00",""
"4070959","26.6451","0.0009","26.6451","0.0009","26.6451","0.0009","90","","90","","90","","18917","1.1","173","2","173","2","","","","","","","synthesis as described","6","I a -3","-I 2b 2c 3","206","","","","- C91.5 H160.5 I0.5 K O14.5 Sm6 -","- C91.51 H48 I0.49 K O14.51 Sm6 -","- C732.08 H384 I3.92 K8 O116.08 Sm48 -","8","0.166667","","Summerscales, Owen T.; Johnston, David R.; Cloke, F. Geoffrey N.; Hitchcock, Peter B.","Samarium(III) Pentalene Sandwich Compounds [Sm(η8-C8H4{SiiPr3-1,4}2)(Cp*)] and [Sm(η8-C8H4{SiiPr3-1,4}2)(η5-C8H5{SiiPr3-1,4}2)] and a Mixed-Valence Hexasamarium Cluster Derived from Sm(II)-Based Solvent Activation","Organometallics","2008","27","21","5612","","10.1021/om701152k","","x-ray","0.71073","MoKα","","0.1054","0.0587","","","0.1365","0.16","","","","","","1.036","","","","has coordinates,has disorder","178598","2020-10-21","18:00:00",""
"4070960","21.713","0.002","13.2479","0.0013","21.2951","0.0018","90","","118.579","0.004","90","","5379.2","0.9","173","2","173","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C52 H92 Cr2 Si4 -","- C52 H92 Cr2 Si4 -","- C208 H368 Cr8 Si16 -","4","0.5","","Balazs, Gabor; Cloke, F. Geoffrey N.; Gagliardi, Laura; Green, Jennifer C.; Harrison, Andrew; Hitchcock, Peter B.; Shahi, Abdul Rehaman Moughal; Summerscales, Owen T.","A Dichromium(II) Bis(η8-pentalene) Double-Sandwich Complex with a Spin Equilibrium: Synthetic, Structural, Magnetic, and Theoretical Studies","Organometallics","2008","27","9","2013","","10.1021/om701153t","","x-ray","0.71073","MoKα","","0.1317","0.0817","","","0.1452","0.168","","","","","","1.154","","","","has coordinates,has disorder","178598","2020-10-21","18:00:00",""
"4070961","14.889","0.002","9.889","0.001","16.661","0.001","90","","116.03","0.01","90","","2204.3","0.4","180","","180","","","","","","","","by syntheses","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H64 Cl2 Fe2 N6 -","- C46 H64 Cl2 Fe2 N6 -","- C92 H128 Cl4 Fe4 N12 -","2","0.5","","Sciarone, Timo J. J.; Nijhuis, Christian A.; Meetsma, Auke; Hessen, Bart","Neutral and Cationic Paramagnetic Amino-amidinate Iron(II) Complexes:19F NMR Evidence for Interactions with Weakly Coordinating Anions","Organometallics","2008","27","9","2058","","10.1021/om701155b","","","0.71073","MoKα","","0.0607","0.0482","","","0.134","0.1443","","","","","","1.04","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070962","18.514","0.001","8.132","0.001","23.124","0.006","90","","91.58","0.01","90","","3480.1","1","130","","130","","","","","","","","by syntheses","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H48 Cl2 Fe2 N6 Si2 -","- C28 H48 Cl2 Fe2 N6 Si2 -","- C112 H192 Cl8 Fe8 N24 Si8 -","4","0.5","","Sciarone, Timo J. J.; Nijhuis, Christian A.; Meetsma, Auke; Hessen, Bart","Neutral and Cationic Paramagnetic Amino-amidinate Iron(II) Complexes:19F NMR Evidence for Interactions with Weakly Coordinating Anions","Organometallics","2008","27","9","2058","","10.1021/om701155b","","","0.71073","MoKα","","0.069","0.0514","","","0.107","0.1128","","","","","","1.073","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070963","17.6967","0.0008","18.5086","0.0009","25.923","0.001","90","","90","","90","","8490.8","0.7","100","1","100","1","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C46 H64 Fe N6 -","- C46 H64 Fe N6 -","- C368 H512 Fe8 N48 -","8","1","","Sciarone, Timo J. J.; Nijhuis, Christian A.; Meetsma, Auke; Hessen, Bart","Neutral and Cationic Paramagnetic Amino-amidinate Iron(II) Complexes:19F NMR Evidence for Interactions with Weakly Coordinating Anions","Organometallics","2008","27","9","2058","","10.1021/om701155b","","","0.71073","MoKα","","0.058","0.0429","","","0.1022","0.1094","","","","","","1.036","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070964","9.4467","0.0008","20.014","0.002","18.161","0.002","90","","96.305","0.001","90","","3412.9","0.6","105","","105","2","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H48 Cl Fe N3 O5 -","- C26 H32 Cl Fe N3 O3 -","- C104 H128 Cl4 Fe4 N12 O12 -","4","1","","Sciarone, Timo J. J.; Nijhuis, Christian A.; Meetsma, Auke; Hessen, Bart","Neutral and Cationic Paramagnetic Amino-amidinate Iron(II) Complexes:19F NMR Evidence for Interactions with Weakly Coordinating Anions","Organometallics","2008","27","9","2058","","10.1021/om701155b","","","0.71073","MoKα","","0.1007","0.0628","","","0.1601","0.1737","","","","","","0.978","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070965","14.9022","0.0009","13.1648","0.0008","22.578","0.001","90","","103.166","0.001","90","","4313","0.4","125","1","125","1","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H62 Fe2 N6 Si2 -","- C42 H62 Fe2 N6 Si2 -","- C168 H248 Fe8 N24 Si8 -","4","0.5","","Sciarone, Timo J. J.; Nijhuis, Christian A.; Meetsma, Auke; Hessen, Bart","Neutral and Cationic Paramagnetic Amino-amidinate Iron(II) Complexes:19F NMR Evidence for Interactions with Weakly Coordinating Anions","Organometallics","2008","27","9","2058","","10.1021/om701155b","","","0.71073","MoKα","","0.0837","0.0483","","","0.1041","0.1163","","","","","","1.017","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070966","10.881","0.004","29.736","0.011","11.509","0.005","90","","95.423","0.007","90","","3707","3","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H57 Lu N2 Si3 -","- C30 H57 Lu N2 Si3 -","- C120 H228 Lu4 N8 Si12 -","4","1","","Masuda, Jason D.; Jantunen, Kimberly C.; Scott, Brian L.; Kiplinger, Jaqueline L.","Synthesis, Characterization, and Reactivity of the Thermally Stable Lutetium Tris(alkyl) Complex (tBu2bpy)Lu(CH2SiMe3)3","Organometallics","2008","27","6","1299","","10.1021/om701159d","","","0.71073","MoKα","","0.1878","0.0799","","","0.1057","0.1276","","","","","","0.974","","","","has coordinates,has disorder","178598","2020-10-21","18:00:00",""
"4070967","12.0911","0.0012","20.124","0.002","21.253","0.002","90","","99.012","0.001","90","","5107.5","0.9","141","2","141","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H78 Lu N5 -","- C54 H78 Lu N5 -","- C216 H312 Lu4 N20 -","4","1","","Masuda, Jason D.; Jantunen, Kimberly C.; Scott, Brian L.; Kiplinger, Jaqueline L.","Synthesis, Characterization, and Reactivity of the Thermally Stable Lutetium Tris(alkyl) Complex (tBu2bpy)Lu(CH2SiMe3)3","Organometallics","2008","27","6","1299","","10.1021/om701159d","","","0.71073","MoKα","","0.0788","0.0472","","","0.0831","0.093","","","","","","1.033","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070968","13.3606","0.0006","13.8467","0.0007","19.4716","0.0009","92.117","0.001","98.748","0.001","96.669","0.001","3530.8","0.3","141","2","141","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H85 Lu N2 O3 -","- C75 H69 Lu N2 O3 -","- C150 H138 Lu2 N4 O6 -","2","1","","Masuda, Jason D.; Jantunen, Kimberly C.; Scott, Brian L.; Kiplinger, Jaqueline L.","Synthesis, Characterization, and Reactivity of the Thermally Stable Lutetium Tris(alkyl) Complex (tBu2bpy)Lu(CH2SiMe3)3","Organometallics","2008","27","6","1299","","10.1021/om701159d","","","0.71073","MoKα","","0.052","0.043","","","0.1069","0.1114","","","","","","1.144","","","","has coordinates,has disorder","178598","2020-10-21","18:00:00",""
"4070969","10.6491","0.0007","24.6745","0.0017","20.1578","0.0014","90","","92.303","0.001","90","","5292.4","0.6","141","2","141","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51 H84 Lu N3 Si2 -","- C51 H84 Lu N3 Si2 -","- C204 H336 Lu4 N12 Si8 -","4","1","","Masuda, Jason D.; Jantunen, Kimberly C.; Scott, Brian L.; Kiplinger, Jaqueline L.","Synthesis, Characterization, and Reactivity of the Thermally Stable Lutetium Tris(alkyl) Complex (tBu2bpy)Lu(CH2SiMe3)3","Organometallics","2008","27","6","1299","","10.1021/om701159d","","","0.71073","MoKα","","0.0609","0.0388","","","0.0888","0.0976","","","","","","1.121","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070970","13.882","0.002","14.506","0.002","17.549","0.003","94.916","0.002","103.589","0.002","92.979","0.002","3412.8","0.9","141","2","141","2","","","","","","","","7","P -1","-P 1","2","","","","- C72.5 H94 Lu N O2 P2 Si2 -","- C72.5 H93.5 Lu N O2 P2 Si2 -","- C145 H187 Lu2 N2 O4 P4 Si4 -","2","1","","Masuda, Jason D.; Jantunen, Kimberly C.; Scott, Brian L.; Kiplinger, Jaqueline L.","Synthesis, Characterization, and Reactivity of the Thermally Stable Lutetium Tris(alkyl) Complex (tBu2bpy)Lu(CH2SiMe3)3","Organometallics","2008","27","6","1299","","10.1021/om701159d","","","0.71073","MoKα","","0.1434","0.072","","","0.1286","0.1619","","","","","","0.907","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4070971","13.412","0.0007","13.1627","0.0007","14.2154","0.0008","90","","113.369","0.001","90","","2303.7","0.2","140.2","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 F3 N2 O3 Pt S Si -","- C22 H21 F3 N2 O3 Pt S Si -","- C88 H84 F12 N8 O12 Pt4 S4 Si4 -","4","1","","Sangtrirutnugul, Preeyanuch; Tilley, T. Don","Alkyl and Hydrido Complexes of Platinum(IV) Supported by the Bis(8-quinolyl)methylsilyl Ligand","Organometallics","2008","27","10","2223","","10.1021/om701162h","","","0.7107","MoKα","","0.027","0.027","","0.0298","","0.0298","","","","","","1.232","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070972","12.5123","0.0006","12.6603","0.0006","15.4852","0.0007","108.625","0.001","103.534","0.001","104.601","0.001","2113.01","0.17","148.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H21 B F20 N2 Pt Si -","- C45 H21 B F20 N2 Pt Si -","- C90 H42 B2 F40 N4 Pt2 Si2 -","2","1","","Sangtrirutnugul, Preeyanuch; Tilley, T. Don","Alkyl and Hydrido Complexes of Platinum(IV) Supported by the Bis(8-quinolyl)methylsilyl Ligand","Organometallics","2008","27","10","2223","","10.1021/om701162h","","","0.7107","MoKα","","0.0293","0.0294","","0.0394","","0.0394","","","","","","1.803","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070973","8.8297","0.0002","27.9592","0.0006","18.1044","0.0004","90","","90","","90","","4469.46","0.17","151.2","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C49 H46 N4 O3 Pd Si2 -","- C49 H46 N4 O3 Pd Si2 -","- C196 H184 N16 O12 Pd4 Si8 -","4","0.5","","Sangtrirutnugul, Preeyanuch; Tilley, T. Don","Alkyl and Hydrido Complexes of Platinum(IV) Supported by the Bis(8-quinolyl)methylsilyl Ligand","Organometallics","2008","27","10","2223","","10.1021/om701162h","","","0.7107","MoKα","","0.0985","0.0468","","0.0705","","0.0604","","","","","","1.363","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070974","12.4176","0.0004","21.1018","0.0006","14.7313","0.0004","90","","114.495","0.001","90","","3512.68","0.18","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C50 H33 Co O -","- C50 H33 Co O -","- C200 H132 Co4 O4 -","4","1","","Harcourt, Emily M.; Yonis, Shifra R.; Lynch, Daniel E.; Hamilton, Darren G.","Microwave-Assisted Synthesis of Cyclopentadienyl‒Cobalt Sandwich Complexes from Diaryl Acetylenes","Organometallics","2008","27","7","1653","","10.1021/om7011634","","","0.71073","MoKα","","0.0822","0.0614","","","0.1187","0.1308","","","","","","1.073","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070975","15.1597","0.0015","12.5004","0.0014","31.331","0.003","90","","90","","90","","5937.3","1.1","95","2","95","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H52 Cl0.37 N2.26 P2 Rh Si2 -","- C22 H52 Cl0.371 N2.258 P2 Rh Si2 -","- C176 H416 Cl2.968 N18.064 P16 Rh8 Si16 -","8","1","","Verat, Alexander Y.; Pink, Maren; Fan, Hongjun; Tomaszewski, John; Caulton, Kenneth G.","[(tBu2PCH2SiMe2)2N]RhI? Rapidly Reversible H−C(sp3) and H−C(sp2) Bond Cleavage by Rhodium(I)","Organometallics","2008","27","2","166","","10.1021/om701165n","","","0.49595","synchrotron","","0.1179","0.0716","","","0.1573","0.1885","","","","","","1.235","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4070976","13.698","0.0008","20.4388","0.0011","24.3563","0.0014","90","","100.072","0.001","90","","6714","0.7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H73 F6 N4 O6 P Ru2 -","- C74 H73 F6 N4 O6 P Ru2 -","- C296 H292 F24 N16 O24 P4 Ru8 -","4","1","","Wong, Chun-Yuen; Man, Wai-Lun; Wang, Chao; Kwong, Hoi-Lun; Wong, Wai-Yeung; Lau, Tai-Chu","Proton-Bridged Dinuclear (salen)Ru Carbene Complexes: Synthesis, Structure, and Reactivity of {[(salchda)RuC(OR)(CHCPh2)]2·H}+","Organometallics","2008","27","3","324","","10.1021/om701166y","","","0.71073","MoKα","","0.048","0.0336","","","0.0861","0.0971","","","","","","1.045","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070977","11.9566","0.0008","28.5888","0.0018","22.6159","0.0014","90","","98.271","0.001","90","","7650.3","0.8","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78 H81 Cl4 F6 N4 O6 P Ru2 -","- C78 H81 Cl4 F6 N4 O6 P Ru2 -","- C312 H324 Cl16 F24 N16 O24 P4 Ru8 -","4","1","","Wong, Chun-Yuen; Man, Wai-Lun; Wang, Chao; Kwong, Hoi-Lun; Wong, Wai-Yeung; Lau, Tai-Chu","Proton-Bridged Dinuclear (salen)Ru Carbene Complexes: Synthesis, Structure, and Reactivity of {[(salchda)RuC(OR)(CHCPh2)]2·H}+","Organometallics","2008","27","3","324","","10.1021/om701166y","","","0.71073","MoKα","","0.0707","0.0507","","","0.1421","0.1589","","","","","","1.053","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070978","9.852","0.0011","9.852","0.0011","9.852","0.0011","90","","90","","90","","956.25","0.18","173","2","293","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C12 H35 N6 Nb -","- C12 H12 N6 Nb -","- C24 H24 N12 Nb2 -","2","0.0208333","","Zhang, Xin-Hao; Chen, Shu-Jian; Cai, Hu; Im, Hee-Jung; Chen, Tianniu; Yu, Xianghua; Chen, Xuetai; Lin, Zhenyang; Wu, Yun-Dong; Xue, Zi-Ling","Unexpected Formation of (Dimethylaminomethylene)methylamide Complexes from the Reactions between Metal Chlorides and Lithium Dimethylamide","Organometallics","2008","27","6","1338","","10.1021/om701173m","","","0.71073","MoKα","","0.0465","0.0465","","","0.1123","0.1123","","","","","","1.192","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070979","9.835","0.003","9.835","0.003","9.835","0.003","90","","90","","90","","951.3","0.5","293","2","293","2","","","","","","","","4","I m -3 m","-I 4 2 3","229","","","","- C12 H35 N6 Ta -","- C12 H36 N6 Ta -","- C24 H72 N12 Ta2 -","2","0.0208333","","Zhang, Xin-Hao; Chen, Shu-Jian; Cai, Hu; Im, Hee-Jung; Chen, Tianniu; Yu, Xianghua; Chen, Xuetai; Lin, Zhenyang; Wu, Yun-Dong; Xue, Zi-Ling","Unexpected Formation of (Dimethylaminomethylene)methylamide Complexes from the Reactions between Metal Chlorides and Lithium Dimethylamide","Organometallics","2008","27","6","1338","","10.1021/om701173m","","","0.71073","MoKα","","0.0143","0.0143","","","0.037","0.037","","","","","","1.147","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070980","14.4025","0.0016","12.6203","0.0015","14.9129","0.0018","90","","116.677","0.005","90","","2422.1","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 Cl N5 O3 Re -","- C25 H21 Cl N5 O3 Re -","- C100 H84 Cl4 N20 O12 Re4 -","4","1","","Salassa, Luca; Garino, Claudio; Albertino, Andrea; Volpi, Giorgio; Nervi, Carlo; Gobetto, Roberto; Hardcastle, Kenneth I.","Computational and Spectroscopic Studies of New Rhenium(I) Complexes Containing Pyridylimidazo[1,5-a]pyridine Ligands: Charge Transfer and Dual Emission by Fine-Tuning of Excited States","Organometallics","2008","27","7","1427","","10.1021/om701175z","","","1.54178","CuKα","","0.0413","0.0309","","","0.0868","0.1157","","","","","","1.03","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070981","48.6971","0.0012","21.1349","0.0006","15.3763","0.0005","90","","90","","90","","15825.4","0.8","110","2","110","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C33 H42 Cl6 N2 Ru S -","- C33 H42 Cl6 N2 Ru S -","- C528 H672 Cl96 N32 Ru16 S16 -","16","1","","Ben-Asuly, Amos; Tzur, Eyal; Diesendruck, Charles E.; Sigalov, Mark; Goldberg, Israel; Lemcoff, N. Gabriel","A Thermally Switchable Latent Ruthenium Olefin Metathesis Catalyst","Organometallics","2008","27","5","811","","10.1021/om701180z","","","0.71073","MoKα","","0.1073","0.0662","","","0.1583","0.1838","","","","","","0.98","","","","has coordinates,has disorder","178598","2020-10-21","18:00:00",""
"4070982","9.5338","0.001","11.0406","0.0012","21.147","0.002","90","","99.593","0.003","90","","2194.8","0.4","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 I2 Ir N2 -","- C21 H25 I2 Ir N2 -","- C84 H100 I8 Ir4 N8 -","4","1","","Pontes da Costa, André; Viciano, Mónica; Sanaú, Mercedes; Merino, Sonia; Tejeda, Juan; Peris, Eduardo; Royo, Beatriz","First Cp*-Functionalized N-Heterocyclic Carbene and Its Coordination to Iridium. Study of the Catalytic Properties","Organometallics","2008","27","6","1305","","10.1021/om701186u","","","0.71073","MoKα","","0.0799","0.043","","","0.0845","0.095","","","","","","1.042","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070983","7.8806","0.0001","11.5719","0.0002","30.8273","0.0005","90","","92.077","0.0009","90","","2809.4","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21 1","P 2yb","4","","","","- C30 H27 Cr N O7 -","- C30 H27 Cr N O7 -","- C120 H108 Cr4 N4 O28 -","4","2","","Meca, Luděk; Císařová, Ivana; Drahoňovský, Dušan; Dvořák, Dalimil","Enantiomerically Pure Axially Chiral Aminocarbene Complexes of Chromium","Organometallics","2008","27","8","1850","","10.1021/om701188p","","","0.71073","MoKα","","0.045","0.0375","","","0.0835","0.0885","","","","","","1.051","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070984","12.693","0.0002","13.031","0.0002","15.808","0.0003","90","","90","","90","","2614.68","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Cr N O7 -","- C28 H23 Cr N O7 -","- C112 H92 Cr4 N4 O28 -","4","1","","Meca, Luděk; Císařová, Ivana; Drahoňovský, Dušan; Dvořák, Dalimil","Enantiomerically Pure Axially Chiral Aminocarbene Complexes of Chromium","Organometallics","2008","27","8","1850","","10.1021/om701188p","","","0.71073","MoKα","","0.0678","0.0498","","","0.1281","0.1414","","","","","","1.023","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070985","21.61","0.003","17.342","0.002","32.154","0.004","90","","90","","90","","12050","3","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H56 Hf Li2 N4 -","- C22 H56 Hf Li2 N4 -","- C352 H896 Hf16 Li32 N64 -","16","2","","Morse, Paige M.; Shelby, Quinetta D.; Kim, Do Young; Girolami, Gregory S.","Ethylene Complexes of the Early Transition Metals: Crystal Structures of [HfEt4(C2H4)2−] and the Negative-Oxidation-State Species [TaHEt(C2H4)33−] and [WH(C2H4)43−]","Organometallics","2008","27","5","984","","10.1021/om701189e","","","0.71073","MoKα","","0.0683","0.0242","","","0.037","0.0391","","","","","","0.714","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070986","18.318","0.01","13.333","0.007","16.65","0.009","90","","102.542","0.009","90","","3969","4","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H69 Li3 N7 Ta -","- C29 H69 Li3 N7 Ta -","- C116 H276 Li12 N28 Ta4 -","4","1","","Morse, Paige M.; Shelby, Quinetta D.; Kim, Do Young; Girolami, Gregory S.","Ethylene Complexes of the Early Transition Metals: Crystal Structures of [HfEt4(C2H4)2−] and the Negative-Oxidation-State Species [TaHEt(C2H4)33−] and [WH(C2H4)43−]","Organometallics","2008","27","5","984","","10.1021/om701189e","","","0.71073","MoKα","","0.0905","0.0411","","","0.1003","0.1253","","","","","","1.007","","","","has coordinates,has disorder","178598","2020-10-21","18:00:00",""
"4070987","15.3935","0.0004","13.3225","0.0003","34.6471","0.0006","90","","90","","90","","7105.4","0.3","198","2","198","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H65 Li3 N6 W -","- C26 H65 Li3 N6 W -","- C208 H520 Li24 N48 W8 -","8","1","","Morse, Paige M.; Shelby, Quinetta D.; Kim, Do Young; Girolami, Gregory S.","Ethylene Complexes of the Early Transition Metals: Crystal Structures of [HfEt4(C2H4)2−] and the Negative-Oxidation-State Species [TaHEt(C2H4)33−] and [WH(C2H4)43−]","Organometallics","2008","27","5","984","","10.1021/om701189e","","","0.71073","MoKα","","0.1533","0.0531","","0.1203","","0.0926","","","0.969","","","1.112","","","","has coordinates,has disorder","178598","2020-10-21","18:00:00",""
"4070988","8.5176","0.0003","19.9843","0.0007","10.2846","0.0004","90","","98.502","0.002","90","","1731.39","0.11","100","2","100","2","","","","","","","synthesized","6","P 1 21 1","P 2yb","4","","","","- C33 H55 Ca N O4 Si2 -","- C33 H55 Ca N O4 Si2 -","- C66 H110 Ca2 N2 O8 Si4 -","2","1","","He, Xuyang; Hurley, Erin; Noll, Bruce C.; Henderson, Kenneth W.","Regio- and Stereoselective Enolizations Using Calcium Bis(hexamethyldisilazide) as a Base: Synthetic, Solid-State, and Solution Studies","Organometallics","2008","27","13","3094","","10.1021/om7011908","","x-ray","0.71073","MoKα","","0.0297","0.0274","","","0.0674","0.0686","","","","","","1.039","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070989","15.269","0.003","17.846","0.004","18.96","0.004","90","","90","","90","","5166.4","1.9","100","2","100","2","","","","","","","synthesized","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H86 Ca2 N2 O4 Si4 -","- C40 H86 Ca2 N2 O4 Si4 -","- C160 H344 Ca8 N8 O16 Si16 -","4","1","","He, Xuyang; Hurley, Erin; Noll, Bruce C.; Henderson, Kenneth W.","Regio- and Stereoselective Enolizations Using Calcium Bis(hexamethyldisilazide) as a Base: Synthetic, Solid-State, and Solution Studies","Organometallics","2008","27","13","3094","","10.1021/om7011908","","x-ray","0.71073","MoKα","","0.0645","0.0532","","","0.1409","0.1494","","","","","","1.04","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4070990","9.857","0.004","19.686","0.007","13.933","0.006","90","","109.45","0.02","90","","2549.3","1.8","100","2","100","2","","","","","","","synthesized","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H86 Ca2 N2 O4 Si4 -","- C40 H86 Ca2 N2 O4 Si4 -","- C80 H172 Ca4 N4 O8 Si8 -","2","0.5","","He, Xuyang; Hurley, Erin; Noll, Bruce C.; Henderson, Kenneth W.","Regio- and Stereoselective Enolizations Using Calcium Bis(hexamethyldisilazide) as a Base: Synthetic, Solid-State, and Solution Studies","Organometallics","2008","27","13","3094","","10.1021/om7011908","","x-ray","0.71073","MoKα","","0.0776","0.0453","","","0.1201","0.137","","","","","","1.018","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070991","17.8268","0.0001","17.8268","0.0001","20.7329","0.0002","90","","90","","120","","5706.07","0.07","100","2","100","2","","","","","","","synthesized","6","R 3 :H","R 3","146","","","","- C57 H129 Ca3 N3 O9 Si6 -","- C57 H129 Ca3 N3 O9 Si6 -","- C171 H387 Ca9 N9 O27 Si18 -","3","0.333333","","He, Xuyang; Hurley, Erin; Noll, Bruce C.; Henderson, Kenneth W.","Regio- and Stereoselective Enolizations Using Calcium Bis(hexamethyldisilazide) as a Base: Synthetic, Solid-State, and Solution Studies","Organometallics","2008","27","13","3094","","10.1021/om7011908","","x-ray","0.71073","MoKα","","0.0345","0.0295","","","0.0686","0.0712","","","","","","1.042","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070992","12.9348","0.0007","13.58","0.0007","15.0286","0.0009","76.942","0.003","87.619","0.003","67.419","0.003","2371.4","0.2","100","2","100","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C77 H150 Ca6 N2 O12 Si4 -","- C77 H149 Ca6 N2 O12 Si4 -","- C77 H149 Ca6 N2 O12 Si4 -","1","0.5","","He, Xuyang; Hurley, Erin; Noll, Bruce C.; Henderson, Kenneth W.","Regio- and Stereoselective Enolizations Using Calcium Bis(hexamethyldisilazide) as a Base: Synthetic, Solid-State, and Solution Studies","Organometallics","2008","27","13","3094","","10.1021/om7011908","","x-ray","0.71073","MoKα","","0.0576","0.0438","","","0.1149","0.1255","","","","","","1.025","","","","has coordinates,has disorder","178598","2020-10-21","18:00:00",""
"4070993","14.9414","0.0003","13.7179","0.0003","18.2401","0.0003","90","","90.379","0.001","90","","3738.49","0.13","100","2","100","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H126 Ca4 N2 O6 Si4 -","- C66 H126 Ca4 N2 O6 Si4 -","- C132 H252 Ca8 N4 O12 Si8 -","2","0.5","","He, Xuyang; Hurley, Erin; Noll, Bruce C.; Henderson, Kenneth W.","Regio- and Stereoselective Enolizations Using Calcium Bis(hexamethyldisilazide) as a Base: Synthetic, Solid-State, and Solution Studies","Organometallics","2008","27","13","3094","","10.1021/om7011908","","x-ray","0.71073","MoKα","","0.0457","0.0311","","","0.0726","0.0802","","","","","","1.034","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4070994","12.1403","0.0004","13.0878","0.0003","16.6594","0.0004","90","","127.475","0.0012","90","","2100.71","0.1","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","JMHV167","JMHV167","","- C36 H68 Cl2 Ir2 N2 P4 -","- C36 H68 Cl2 Ir2 N2 P4 -","- C72 H136 Cl4 Ir4 N4 P8 -","2","0.5","","Hoover, Jessica M.; Freudenthal, John; Michael, Forrest E.; Mayer, James M.","Reactivity of Low-Valent Iridium, Rhodium, and Platinum Complexes with Di- and Tetrasubstituted Hydrazines","Organometallics","2008","27","10","2238","","10.1021/om701192s","","","0.71073","MoKα","","0.0517","0.0383","","","0.0921","0.0991","","","","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4070995","14.4886","0.0002","22.0667","0.0004","10.2932","0.0003","90","","105.115","0.0007","90","","3177.04","0.12","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","IV062","IV062","","- C17 H18 N4 O2 Pt -","- C17 H18 N4 O2 Pt -","- C136 H144 N32 O16 Pt8 -","8","2","","Hoover, Jessica M.; Freudenthal, John; Michael, Forrest E.; Mayer, James M.","Reactivity of Low-Valent Iridium, Rhodium, and Platinum Complexes with Di- and Tetrasubstituted Hydrazines","Organometallics","2008","27","10","2238","","10.1021/om701192s","","","0.71073","MoKα","","0.0982","0.0497","","","0.0964","0.1103","","","","","","0.916","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070996","22.3683","0.0007","14.0012","0.0003","9.5533","0.0002","90","","90","","90","","2991.93","0.13","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","complex 2","","","- C28 H36 N4 O2 Ru Si2 -","- C28 H36 N4 O2 Ru Si2 -","- C112 H144 N16 O8 Ru4 Si8 -","4","0.5","","Okazaki, Masaaki; Yamahira, Nobukazu; Minglana, Jim Josephus Gabrillo; Komuro, Takashi; Ogino, Hiroshi; Tobita, Hiromi","[Ru(xantsil)(CO)(η6-toluene)]: Synthon for a Highly Unsaturated Ruthenium(II) Complex through Facile Dissociation of the Toluene Ligand [xantsil = (9,9-dimethylxanthene-4,5-diyl)bis(dimethylsilyl)]","Organometallics","2008","27","5","918","","10.1021/om701194e","","x-ray","0.71069","MoKα","","0.0287","0.0273","","","0.0653","0.066","","","","","","1.195","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070997","17.0553","0.0004","20.1437","0.0006","19.2039","0.0006","90","","90","","90","","6597.6","0.3","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","complex 4","","","- C29 H51 O2 P3 Ru Si2 -","- C29 H51 O2 P3 Ru Si2 -","- C232 H408 O16 P24 Ru8 Si16 -","8","1","","Okazaki, Masaaki; Yamahira, Nobukazu; Minglana, Jim Josephus Gabrillo; Komuro, Takashi; Ogino, Hiroshi; Tobita, Hiromi","[Ru(xantsil)(CO)(η6-toluene)]: Synthon for a Highly Unsaturated Ruthenium(II) Complex through Facile Dissociation of the Toluene Ligand [xantsil = (9,9-dimethylxanthene-4,5-diyl)bis(dimethylsilyl)]","Organometallics","2008","27","5","918","","10.1021/om701194e","","x-ray","0.71069","MoKα","","0.0525","0.0415","","","0.1011","0.128","","","","","","1.226","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070998","10.1305","0.0017","10.3795","0.0012","19.2411","0.0018","98.116","0.004","92.896","0.006","112.966","0.008","1831.8","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","complex 6","","","- C38 H57 O2 P Ru Si2 -","- C38 H57 O2 P Ru Si2 -","- C76 H114 O4 P2 Ru2 Si4 -","2","1","","Okazaki, Masaaki; Yamahira, Nobukazu; Minglana, Jim Josephus Gabrillo; Komuro, Takashi; Ogino, Hiroshi; Tobita, Hiromi","[Ru(xantsil)(CO)(η6-toluene)]: Synthon for a Highly Unsaturated Ruthenium(II) Complex through Facile Dissociation of the Toluene Ligand [xantsil = (9,9-dimethylxanthene-4,5-diyl)bis(dimethylsilyl)]","Organometallics","2008","27","5","918","","10.1021/om701194e","","x-ray","0.71069","MoKα","","0.083","0.0594","","","0.1702","0.2028","","","","","","1.165","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4070999","15.9513","0.0005","10.5822","0.0003","25.8317","0.001","90","","101.352","0.001","90","","4275.1","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","complex 8","","","- C41 H59 Cl2 O4 P Ru Si2 -","- C41 H59 Cl2 O4 P Ru Si2 -","- C164 H236 Cl8 O16 P4 Ru4 Si8 -","4","1","","Okazaki, Masaaki; Yamahira, Nobukazu; Minglana, Jim Josephus Gabrillo; Komuro, Takashi; Ogino, Hiroshi; Tobita, Hiromi","[Ru(xantsil)(CO)(η6-toluene)]: Synthon for a Highly Unsaturated Ruthenium(II) Complex through Facile Dissociation of the Toluene Ligand [xantsil = (9,9-dimethylxanthene-4,5-diyl)bis(dimethylsilyl)]","Organometallics","2008","27","5","918","","10.1021/om701194e","","x-ray","0.71069","MoKα","","0.052","0.042","","","0.135","0.1698","","","","","","1.174","","","","has coordinates","178598","2020-10-21","18:00:00",""
"4071000","10.3381","0.0004","10.4244","0.0006","10.4263","0.0005","93.4825","0.0014","115.924","0.001","109.649","0.003","922.64","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","complex 10","","","- C40 H48 O4 Ru2 Si4 -","- C40 H48 O4 Ru2 Si4 -","- C40 H48 O4 Ru2 Si4 -","1","0.5","","Okazaki, Masaaki; Yamahira, Nobukazu; Minglana, Jim Josephus Gabrillo; Komuro, Takashi; Ogino, Hiroshi; Tobita, Hiromi","[Ru(xantsil)(CO)(η6-toluene)]: Synthon for a Highly Unsaturated Ruthenium(II) Complex through Facile Dissociation of the Toluene Ligand [xantsil = (9,9-dimethylxanthene-4,5-diyl)bis(dimethylsilyl)]","Organometallics","2008","27","5","918","","10.1021/om701194e","","x-ray","0.71069","MoKα","","0.0491","0.042","","","0.1175","0.1265","","","","","","1.155","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071001","18.3483","0.0009","14.0646","0.0007","18.9055","0.0009","90","","104.824","0.001","90","","4716.4","0.4","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H74 N3 Sc Si2 -","- C48 H74 N3 Sc Si2 -","- C192 H296 N12 Sc4 Si8 -","4","1","","Zimmermann, Melanie; Törnroos, Karl W.; Waymouth, Robert M.; Anwander, Reiner","Structure−Reactivity Relationships of Amido-Pyridine-Supported Rare-Earth-Metal Alkyl Complexes","Organometallics","2008","27","17","4310","","10.1021/om701195x","","","0.71073","MoKα","","0.2123","0.1683","","","0.4383","0.464","","","","","","1.101","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071002","15.3775","0.0007","8.4994","0.0003","9.2423","0.0005","90","","90","","90","","1207.96","0.1","150","2","150","2","","","","","","","synthesis","7","P 21 21 2","P 2 2ab","18","","","","- C21 H31 F6 Ir N3 O2 P -","- C21 H31 F6 Ir N3 O2 P -","- C42 H62 F12 Ir2 N6 O4 P2 -","2","0.5","","Paredes, Paloma; Díez, Josefina; Gamasa, M. Pilar","Synthesis of Enantiopure Iridium(I) and Iridium(III) Pybox Complexes and Their Application in the Asymmetric Transfer Hydrogenation of Ketones†","Organometallics","2008","27","11","2597","","10.1021/om7011997","","","1.5418","CuKα","","0.0608","0.0431","","","0.1139","0.1776","","","","","","1.305","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071003","7.7764","0.0006","17.402","0.0013","9.3814","0.0007","90","","91.409","0.001","90","","1269.15","0.17","293","2","293","2","","","","","","","synthesis","8","P 1 21 1","P 2yb","4","","","","- C19 H27 F6 I2 Ir N3 O2 P -","- C19 H27 F6 I2 Ir N3 O2 P -","- C38 H54 F12 I4 Ir2 N6 O4 P2 -","2","1","","Paredes, Paloma; Díez, Josefina; Gamasa, M. Pilar","Synthesis of Enantiopure Iridium(I) and Iridium(III) Pybox Complexes and Their Application in the Asymmetric Transfer Hydrogenation of Ketones†","Organometallics","2008","27","11","2597","","10.1021/om7011997","","","0.71073","MoKα","","0.0309","0.0294","","","0.0711","0.0717","","","","","","1.013","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071004","8.2524","0.0005","16.0006","0.001","9.4409","0.0006","90","","91.441","0.005","90","","1246.21","0.13","293","2","293","2","","","","","","","synthesis","8","P 1 21 1","P 2yb","4","","","","- C20 H28 Cl F6 Ir N3 O2 P -","- C20 H28 Cl F6 Ir N3 O2 P -","- C40 H56 Cl2 F12 Ir2 N6 O4 P2 -","2","1","","Paredes, Paloma; Díez, Josefina; Gamasa, M. Pilar","Synthesis of Enantiopure Iridium(I) and Iridium(III) Pybox Complexes and Their Application in the Asymmetric Transfer Hydrogenation of Ketones†","Organometallics","2008","27","11","2597","","10.1021/om7011997","","","1.5418","CuKα","","0.0339","0.0311","","","0.0698","0.0712","","","","","","1.074","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071005","10.1512","0.0002","11.4196","0.0002","12.8731","0.0004","90","","98.977","0.001","90","","1474","0.06","150","2","150","2","","","","","","","synthesis","9","P 1 21 1","P 2yb","4","","","","- C20 H29 Cl3 F6 Ir N3 O3 P Tl -","- C20 H29 Cl3 F6 Ir N3 O3 P Tl -","- C40 H58 Cl6 F12 Ir2 N6 O6 P2 Tl2 -","2","1","","Paredes, Paloma; Díez, Josefina; Gamasa, M. Pilar","Synthesis of Enantiopure Iridium(I) and Iridium(III) Pybox Complexes and Their Application in the Asymmetric Transfer Hydrogenation of Ketones†","Organometallics","2008","27","11","2597","","10.1021/om7011997","","","1.5418","CuKα","","0.0507","0.0485","","","0.1221","0.1268","","","","","","1.05","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071006","9.1962","0.0017","12.467","0.002","15.803","0.003","101.45","0.003","91.795","0.003","90.698","0.003","1774.6","0.6","100","0.1","100","0.1","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C69 H86 Cl6 Mn2 Mo4 O10 P2 -","- C69 H86 Cl6 Mn2 Mo4 O10 P2 -","- C69 H86 Cl6 Mn2 Mo4 O10 P2 -","1","0.5","","García-Vivó, Daniel; García, M. Esther; Ruiz, Miguel A.","Multisite Reactivity of the Unsaturated Methoxycarbyne Complex [Mo2(η5-C5H5)2(µ-COMe)(µ-PCy2)(µ-CO)]","Organometallics","2008","27","2","169","","10.1021/om701200q","","x-ray","0.71073","MoKα","","0.0389","0.03","","","0.0721","0.0746","","","","","","1.094","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071007","23.367","0.002","23.367","0.002","9.183","0.002","90","","90","","120","","4342.3","1.1","100","0.1","100","0.1","","","","","","","synthesis as described","6","P -3","-P 3","147","","","","- C25 H35 Mo2 O2 P Se3 -","- C25 H35 Mo2 O2 P Se3 -","- C150 H210 Mo12 O12 P6 Se18 -","6","1","","García-Vivó, Daniel; García, M. Esther; Ruiz, Miguel A.","Multisite Reactivity of the Unsaturated Methoxycarbyne Complex [Mo2(η5-C5H5)2(µ-COMe)(µ-PCy2)(µ-CO)]","Organometallics","2008","27","2","169","","10.1021/om701200q","","x-ray","0.71073","MoKα","","0.0593","0.0384","","","0.0888","0.0956","","","","","","1.002","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071008","11.313","0.003","12.471","0.003","17.09","0.004","68.836","0.004","84.285","0.004","81.815","0.004","2222.6","1","100","0.1","100","0.1","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C43 H49 Mo2 O2 P Si -","- C43 H49 Mo2 O2 P Si -","- C86 H98 Mo4 O4 P2 Si2 -","2","1","","García-Vivó, Daniel; García, M. Esther; Ruiz, Miguel A.","Multisite Reactivity of the Unsaturated Methoxycarbyne Complex [Mo2(η5-C5H5)2(µ-COMe)(µ-PCy2)(µ-CO)]","Organometallics","2008","27","2","169","","10.1021/om701200q","","x-ray","0.71073","MoKα","","0.0329","0.026","","","0.0637","0.0662","","","","","","1.023","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071009","7.236","0.0007","10.6353","0.001","15.5849","0.0016","87.661","0.002","89.882","0.002","86.547","0.002","1196.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Ag2(1,3-CC-C6H4-CC)] ?5AgNO3 ?3H2O","","","- C10 H4 Ag7 N5 O18 -","- C10 H4 Ag7 N5 O18 -","- C20 H8 Ag14 N10 O36 -","2","1","","Zhao, Liang; Chen, Xu-Dong; Mak, Thomas C. W.","Silver(I)−Ethynide Supramolecular Synthons in the Assembly of π−π Stacked Infinite Columns⊥","Organometallics","2008","27","11","2483","","10.1021/om701201m","","","0.71073","MoKα","","0.0433","0.0321","","","0.0764","0.0827","","","","","","1.039","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071010","28.477","0.003","22.881","0.002","12.4585","0.0012","90","","90","","90","","8117.7","1.4","293","2","293","2","","","","","","","","6","I m a 2","I 2 -2a","46","2[C4H2S-2,3-(CCAg)2] ?10AgNO3","","","- C16 H4 Ag14 N10 O30 S2 -","- C16 H4 Ag14 N10 O30 S2 -","- C128 H32 Ag112 N80 O240 S16 -","8","1","","Zhao, Liang; Chen, Xu-Dong; Mak, Thomas C. W.","Silver(I)−Ethynide Supramolecular Synthons in the Assembly of π−π Stacked Infinite Columns⊥","Organometallics","2008","27","11","2483","","10.1021/om701201m","","","0.71073","MoKα","","0.0519","0.0349","","","0.0731","0.0817","","","","","","1.035","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071011","7.2997","0.0009","16.0767","0.0019","11.7819","0.0014","90","","92.056","0.002","90","","1381.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","(3-AgCC)-Py ?3AgNO3","","","- C7 H4 Ag4 N4 O9 -","- C7 H4 Ag4 N4 O9 -","- C28 H16 Ag16 N16 O36 -","4","1","","Zhao, Liang; Chen, Xu-Dong; Mak, Thomas C. W.","Silver(I)−Ethynide Supramolecular Synthons in the Assembly of π−π Stacked Infinite Columns⊥","Organometallics","2008","27","11","2483","","10.1021/om701201m","","","0.71073","MoKα","","0.0253","0.0219","","","0.051","0.0526","","","","","","1.068","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071012","7.5346","0.001","11.4637","0.0014","17.235","0.002","82.286","0.002","88.016","0.002","84.343","0.002","1467.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","2[(2-AgCC)-Pyraz] ?6AgNO3 ?3H2O","","","- C12 H6 Ag8 N10 O21 -","- C12 H6 Ag8 N10 O21 -","- C24 H12 Ag16 N20 O42 -","2","1","","Zhao, Liang; Chen, Xu-Dong; Mak, Thomas C. W.","Silver(I)−Ethynide Supramolecular Synthons in the Assembly of π−π Stacked Infinite Columns⊥","Organometallics","2008","27","11","2483","","10.1021/om701201m","","","0.71073","MoKα","","0.0638","0.0388","","","0.0832","0.0968","","","","","","1.023","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071013","10.414","0.0005","15.2465","0.0008","15.8488","0.0008","90","","92.365","0.001","90","","2514.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl4 Fe N3 -","- C24 H25 Cl4 Fe N3 -","- C96 H100 Cl16 Fe4 N12 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Bobik Fones, Barbara; Fish, Brian M.; Schiffhauer, Matthew F.; Spence, Rupert E.; Xie, Tuyu","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Cobalt(II) Tridentate Bis(imino)pyridine Complexes with a Double Pattern of Substitution:o-Methyl pluso-Fluorine in the Same Imino Arm†","Organometallics","2008","27","6","1147","","10.1021/om701204w","","","0.71073","MoKα","","0.0602","0.0365","","","0.0749","0.0836","","","","","","1.021","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071014","15.867","0.005","15.22","0.005","21.709","0.007","90","","93.565","0.006","90","","5232","3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C24 H23 Cl4 F2 Fe N3 -","- C24 H23 Cl4 F2 Fe N3 -","- C192 H184 Cl32 F16 Fe8 N24 -","8","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Bobik Fones, Barbara; Fish, Brian M.; Schiffhauer, Matthew F.; Spence, Rupert E.; Xie, Tuyu","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Cobalt(II) Tridentate Bis(imino)pyridine Complexes with a Double Pattern of Substitution:o-Methyl pluso-Fluorine in the Same Imino Arm†","Organometallics","2008","27","6","1147","","10.1021/om701204w","","","0.71073","MoKα","","0.0975","0.0587","","","0.1416","0.1661","","","","","","1.04","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071015","25.6657","0.001","15.2699","0.0006","15.723","0.0006","90","","122.921","0.001","90","","5172.5","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Cl4 F Fe N3 -","- C24 H23 Cl4 F Fe N3 -","- C192 H184 Cl32 F8 Fe8 N24 -","8","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Bobik Fones, Barbara; Fish, Brian M.; Schiffhauer, Matthew F.; Spence, Rupert E.; Xie, Tuyu","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Cobalt(II) Tridentate Bis(imino)pyridine Complexes with a Double Pattern of Substitution:o-Methyl pluso-Fluorine in the Same Imino Arm†","Organometallics","2008","27","6","1147","","10.1021/om701204w","","","0.71073","MoKα","","0.0856","0.0506","","","0.1227","0.1401","","","","","","1.061","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071016","13.3251","0.0011","14.5228","0.0012","14.7832","0.0012","90","","107.941","0.001","90","","2721.7","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 Cl2 Co F I2 N3 -","- C24 H24 Cl2 Co F I2 N3 -","- C96 H96 Cl8 Co4 F4 I8 N12 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Bobik Fones, Barbara; Fish, Brian M.; Schiffhauer, Matthew F.; Spence, Rupert E.; Xie, Tuyu","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Cobalt(II) Tridentate Bis(imino)pyridine Complexes with a Double Pattern of Substitution:o-Methyl pluso-Fluorine in the Same Imino Arm†","Organometallics","2008","27","6","1147","","10.1021/om701204w","","","0.71073","MoKα","","0.0595","0.0385","","","0.0955","0.1039","","","","","","1.062","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071017","16.4893","0.0002","16.4893","0.0002","16.4893","0.0002","90","","90","","90","","4483.39","0.09","293","2","293","2","","","","","","","","6","I -4 3 m","I -4 2 3","217","","","","- C60 H108 O12 Os4 P4 Pd4 -","- C60 H108 O12 Os4 P4 Pd4 -","- C120 H216 O24 Os8 P8 Pd8 -","2","0.0416667","","Adams, Richard D.; Boswell, Erin M.; Captain, Burjor","Synthesis and Properties of an Unusual New High-Symmetry Osmium−Palladium Carbonyl Cluster Complex","Organometallics","2008","27","6","1169","","10.1021/om701206r","","","0.71073","MoKα","","0.0224","0.0221","","","0.0881","0.0883","","","","","","1.494","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071018","10.793","0.001","12.856","0.002","13.174","0.003","96.96","0.03","91.14","0.02","109.87","0.03","1702.8","0.6","180","2","180","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C73 H62 Cl6 P4 Ru2 -","- C73 H62 Cl6 P4 Ru2 -","- C73 H62 Cl6 P4 Ru2 -","1","0.5","","Mothes, Emmanuelle; Sentets, Stephane; Luquin, Maria Asuncion; Mathieu, René; Lugan, Noël; Lavigne, Guy","New Insight into the Reactivity of Pyridine-Functionalized Phosphine Complexes of Ruthenium(II) with Respect to Olefin Metathesis and Transfer Hydrogenation","Organometallics","2008","27","6","1193","","10.1021/om7012106","","x-ray","0.71073","MoKα","","0.0729","0.0623","","","0.1691","0.1801","","","","","","1.046","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071019","14.196","0.002","33.708","0.003","16.8163","0.0014","90","","109.211","0.011","90","","7598.8","1.5","180","2","180","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C74.5 H66 Cl7 N P4 Ru2 -","- C73 H63 Cl4 N P4 Ru2 -","- C292 H252 Cl16 N4 P16 Ru8 -","4","1","","Mothes, Emmanuelle; Sentets, Stephane; Luquin, Maria Asuncion; Mathieu, René; Lugan, Noël; Lavigne, Guy","New Insight into the Reactivity of Pyridine-Functionalized Phosphine Complexes of Ruthenium(II) with Respect to Olefin Metathesis and Transfer Hydrogenation","Organometallics","2008","27","6","1193","","10.1021/om7012106","","x-ray","0.71073","MoKα","","0.2021","0.1124","","","0.2635","0.3027","","","","","","0.933","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071020","11.61","0.0015","12.953","0.003","13.189","0.0015","78.39","0.019","80.52","0.015","86.84","0.02","1915.8","0.6","180","2","180","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C39 H38 Cl4 N2 P2 Ru -","- C39 H38 Cl4 N2 P2 Ru -","- C78 H76 Cl8 N4 P4 Ru2 -","2","1","","Mothes, Emmanuelle; Sentets, Stephane; Luquin, Maria Asuncion; Mathieu, René; Lugan, Noël; Lavigne, Guy","New Insight into the Reactivity of Pyridine-Functionalized Phosphine Complexes of Ruthenium(II) with Respect to Olefin Metathesis and Transfer Hydrogenation","Organometallics","2008","27","6","1193","","10.1021/om7012106","","x-ray","0.71073","MoKα","","0.0481","0.0413","","","0.1106","0.1152","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071021","10.53","0.005","13.425","0.005","25.056","0.005","90","","95.832","0.005","90","","3524","2","180","2","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H35 Cl4 N P2 Ru -","- C38 H35 Cl4 N P2 Ru -","- C152 H140 Cl16 N4 P8 Ru4 -","4","1","","Mothes, Emmanuelle; Sentets, Stephane; Luquin, Maria Asuncion; Mathieu, René; Lugan, Noël; Lavigne, Guy","New Insight into the Reactivity of Pyridine-Functionalized Phosphine Complexes of Ruthenium(II) with Respect to Olefin Metathesis and Transfer Hydrogenation","Organometallics","2008","27","6","1193","","10.1021/om7012106","","x-ray","0.71073","MoKα","","0.0428","0.0318","","","0.0759","0.0803","","","","","","0.992","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071022","12.5688","0.0009","20.003","0.0013","17.9037","0.0012","90","","102.123","0.006","90","","4400.9","0.5","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H51 Cl8 N P2 Ru -","- C40 H51 Cl8 N P2 Ru -","- C160 H204 Cl32 N4 P8 Ru4 -","4","1","","Mothes, Emmanuelle; Sentets, Stephane; Luquin, Maria Asuncion; Mathieu, René; Lugan, Noël; Lavigne, Guy","New Insight into the Reactivity of Pyridine-Functionalized Phosphine Complexes of Ruthenium(II) with Respect to Olefin Metathesis and Transfer Hydrogenation","Organometallics","2008","27","6","1193","","10.1021/om7012106","","x-ray","0.71073","MoKα","","0.1295","0.0754","","","0.1811","0.2069","","","","","","0.961","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071023","20.306","0.003","12.791","0.002","30.984","0.004","90","","90.238","0.019","90","","8048","2","180","2","180","2","","","","","","","synthesis as described","6","I 1 2/a 1","-I 2ya","15","","","","- C37.75 H46.5 Cl3.5 N P2 Ru -","- C37 H45 Cl2 N P2 Ru -","- C296 H360 Cl16 N8 P16 Ru8 -","8","1","","Mothes, Emmanuelle; Sentets, Stephane; Luquin, Maria Asuncion; Mathieu, René; Lugan, Noël; Lavigne, Guy","New Insight into the Reactivity of Pyridine-Functionalized Phosphine Complexes of Ruthenium(II) with Respect to Olefin Metathesis and Transfer Hydrogenation","Organometallics","2008","27","6","1193","","10.1021/om7012106","","x-ray","0.71073","MoKα","","0.0381","0.0302","","","0.077","0.0793","","","","","","1.009","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071024","13.014","0.005","16.287","0.005","18.698","0.005","90","","96.651","0.005","90","","3937","2","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H45 Cl4 N P2 Ru -","- C41 H45 Cl4 N P2 Ru -","- C164 H180 Cl16 N4 P8 Ru4 -","4","1","","Mothes, Emmanuelle; Sentets, Stephane; Luquin, Maria Asuncion; Mathieu, René; Lugan, Noël; Lavigne, Guy","New Insight into the Reactivity of Pyridine-Functionalized Phosphine Complexes of Ruthenium(II) with Respect to Olefin Metathesis and Transfer Hydrogenation","Organometallics","2008","27","6","1193","","10.1021/om7012106","","x-ray","0.71073","MoKα","","0.2197","0.0807","","","0.1243","0.1638","","","","","","0.813","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071025","26.3433","0.0007","26.3433","0.0007","21.6192","0.0004","90","","90","","120","","12993","0.5","180","2","180","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C82 H92 Cl8 N3 O12 P3 Ru3 -","- C81.99 H91.98 Cl7.99 N3 O12 P3 Ru3 -","- C491.94 H551.88 Cl47.94 N18 O72 P18 Ru18 -","6","0.333333","","Mothes, Emmanuelle; Sentets, Stephane; Luquin, Maria Asuncion; Mathieu, René; Lugan, Noël; Lavigne, Guy","New Insight into the Reactivity of Pyridine-Functionalized Phosphine Complexes of Ruthenium(II) with Respect to Olefin Metathesis and Transfer Hydrogenation","Organometallics","2008","27","6","1193","","10.1021/om7012106","","x-ray","0.71073","MoKα","","0.1445","0.0693","","","0.1851","0.2267","","","","","","1.044","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071026","20.072","0.005","18.123","0.004","21.659","0.005","90","","90.563","0.004","90","","7878","3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C69 H84 Br4 Cl6 N2 Ni2 O8 P4 -","- C69 H84 Br4 Cl6 N2 Ni2 O8 P4 -","- C276 H336 Br16 Cl24 N8 Ni8 O32 P16 -","4","1","","Lavanant, Laurent; Rodrigues, Anne-Sophie; Kirillov, Evgueni; Carpentier, Jean-François; Jordan, Richard F.","Synthesis, Structures, Dynamics, and Ethylene Polymerization Activity of Nickel Complexes Containing anortho-Methoxy-aryl Diphosphine Ligand","Organometallics","2008","27","9","2107","","10.1021/om701215s","","","0.71073","MoKα","","0.0485","0.0327","","","0.0723","0.0751","","","","","","0.918","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071027","26.3678","0.0008","15.4778","0.0006","23.088","0.0008","90","","116.328","0.002","90","","8445.2","0.5","120","1","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C94 H110 N2 Ni O8 P4 -","- C94 H110 N2 Ni O8 P4 -","- C376 H440 N8 Ni4 O32 P16 -","4","0.5","","Lavanant, Laurent; Rodrigues, Anne-Sophie; Kirillov, Evgueni; Carpentier, Jean-François; Jordan, Richard F.","Synthesis, Structures, Dynamics, and Ethylene Polymerization Activity of Nickel Complexes Containing anortho-Methoxy-aryl Diphosphine Ligand","Organometallics","2008","27","9","2107","","10.1021/om701215s","","","0.71073","MoKα","","0.1037","0.0606","","","0.1387","0.1632","","","","","","1.046","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071028","10.203","0.002","29.221","0.006","10.481","0.002","90","","115.36","0.03","90","","2823.7","1.2","230","1","230","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris-166 (lidimoet)","","","- C21 H43 Li N4 Si2 -","- C21 H43 Li N4 Si2 -","- C84 H172 Li4 N16 Si8 -","4","1","","Aharonovich, Sinai; Kapon, Moshe; Botoshanski, Mark; Eisen, Moris S.","N,N′-Bis-Silylated Lithium Aryl Amidinates: Synthesis, Characterization, and the Gradual Transition of Coordination Mode from σ Toward π Originated by Crystal Packing Interactions","Organometallics","2008","27","8","1869","","10.1021/om701216p","","","0.71073","MoKα","","0.1098","0.0606","","","0.16","0.175","","","","","","1.066","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071029","10.18","0.002","10.636","0.002","13.365","0.003","89.23","0.02","72.67","0.02","88.85","0.02","1381.1","0.5","230","1","230","1","","","","","","","","5","P -1","-P 1","2","Moris-81 (lipetdim)","","","- C21 H43 Li N4 Si2 -","- C21 H43 Li N4 Si2 -","- C42 H86 Li2 N8 Si4 -","2","1","","Aharonovich, Sinai; Kapon, Moshe; Botoshanski, Mark; Eisen, Moris S.","N,N′-Bis-Silylated Lithium Aryl Amidinates: Synthesis, Characterization, and the Gradual Transition of Coordination Mode from σ Toward π Originated by Crystal Packing Interactions","Organometallics","2008","27","8","1869","","10.1021/om701216p","","","0.71073","MoKα","","0.086","0.0526","","","0.1382","0.1461","","","","","","1.039","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071030","10.189","0.002","11.171","0.002","14.437","0.003","103.46","0.03","108.24","0.03","95.06","0.02","1494.6","0.6","230","2","230","2","","","","","","","","5","P -1","-P 1","2","Moris-74(Sinay)","","","- C23 H47 Li N4 Si2 -","- C23 H47 Li N4 Si2 -","- C46 H94 Li2 N8 Si4 -","2","1","","Aharonovich, Sinai; Kapon, Moshe; Botoshanski, Mark; Eisen, Moris S.","N,N′-Bis-Silylated Lithium Aryl Amidinates: Synthesis, Characterization, and the Gradual Transition of Coordination Mode from σ Toward π Originated by Crystal Packing Interactions","Organometallics","2008","27","8","1869","","10.1021/om701216p","","","0.71073","MoKα","","0.0851","0.0539","","","0.1489","0.1613","","","","","","0.957","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071031","14.858","0.003","15.767","0.003","14.041","0.003","90","","110.49","0.03","90","","3081.2","1.2","230","1","230","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Moris-83 (liptbut)","","","- C23 H47 Li N4 Si2 -","- C23 H47 Li N4 Si2 -","- C92 H188 Li4 N16 Si8 -","4","0.5","","Aharonovich, Sinai; Kapon, Moshe; Botoshanski, Mark; Eisen, Moris S.","N,N′-Bis-Silylated Lithium Aryl Amidinates: Synthesis, Characterization, and the Gradual Transition of Coordination Mode from σ Toward π Originated by Crystal Packing Interactions","Organometallics","2008","27","8","1869","","10.1021/om701216p","","","0.71073","MoKα","","0.0947","0.0636","","","0.172","0.1899","","","","","","1.053","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071032","10.708","0.002","19.073","0.004","13.227","0.003","90","","96.24","0.02","90","","2685.4","1","230","1","230","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Moris-78 (lipmetox)","","","- C20 H41 Li N4 O Si2 -","- C20 H41 Li N4 O Si2 -","- C80 H164 Li4 N16 O4 Si8 -","4","1","","Aharonovich, Sinai; Kapon, Moshe; Botoshanski, Mark; Eisen, Moris S.","N,N′-Bis-Silylated Lithium Aryl Amidinates: Synthesis, Characterization, and the Gradual Transition of Coordination Mode from σ Toward π Originated by Crystal Packing Interactions","Organometallics","2008","27","8","1869","","10.1021/om701216p","","","0.71073","MoKα","","0.0936","0.0481","","","0.1253","0.1351","","","","","","0.916","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071033","16.327","0.003","13.136","0.003","26.795","0.005","90","","107.04","0.03","90","","5494","2","230","1","230","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Moris-77(litmdadim)","","","- C20 H41 Li N4 O Si2 -","- C20 H41 Li N4 O Si2 -","- C160 H328 Li8 N32 O8 Si16 -","8","2","","Aharonovich, Sinai; Kapon, Moshe; Botoshanski, Mark; Eisen, Moris S.","N,N′-Bis-Silylated Lithium Aryl Amidinates: Synthesis, Characterization, and the Gradual Transition of Coordination Mode from σ Toward π Originated by Crystal Packing Interactions","Organometallics","2008","27","8","1869","","10.1021/om701216p","","","0.71073","MoKα","","0.1598","0.0745","","","0.183","0.1997","","","","","","0.884","","","","has coordinates","278158","2022-09-26","15:28:11",""
"4071034","10.458","0.002","26.418","0.005","10.945","0.002","90","","115.69","0.003","90","","2725","0.9","230","1","293","1","","","","","","","","6","P 1 21 1","P 2yb","4","Moris-73 (Sinay)","","","- C20 H41 Li N4 O Si2 -","- C20 H41 Li N4 O Si2 -","- C80 H164 Li4 N16 O4 Si8 -","4","2","","Aharonovich, Sinai; Kapon, Moshe; Botoshanski, Mark; Eisen, Moris S.","N,N′-Bis-Silylated Lithium Aryl Amidinates: Synthesis, Characterization, and the Gradual Transition of Coordination Mode from σ Toward π Originated by Crystal Packing Interactions","Organometallics","2008","27","8","1869","","10.1021/om701216p","","","0.71073","MoKα","","0.1159","0.051","","","0.1123","0.1307","","","","","","0.952","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071035","10.603","0.002","13.144","0.003","17.77","0.003","90","","91.05","0.02","90","","2476.1","0.8","230","1","230","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Moris-111 (lifuran)","","","- C17 H37 Li N4 O Si2 -","- C17 H37 Li N4 O Si2 -","- C68 H148 Li4 N16 O4 Si8 -","4","1","","Aharonovich, Sinai; Kapon, Moshe; Botoshanski, Mark; Eisen, Moris S.","N,N′-Bis-Silylated Lithium Aryl Amidinates: Synthesis, Characterization, and the Gradual Transition of Coordination Mode from σ Toward π Originated by Crystal Packing Interactions","Organometallics","2008","27","8","1869","","10.1021/om701216p","","","0.71073","MoKα","","0.1583","0.0603","","","0.1581","0.1863","","","","","","0.726","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071036","10.505","0.002","17.673","0.003","13.865","0.003","90","","100.61","0.03","90","","2530.1","0.9","230","1","230","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Moris-158 (tidimtmda)","","","- C18 H38 Li N5 Si2 -","- C18 H38 Li N5 Si2 -","- C72 H152 Li4 N20 Si8 -","4","1","","Aharonovich, Sinai; Kapon, Moshe; Botoshanski, Mark; Eisen, Moris S.","N,N′-Bis-Silylated Lithium Aryl Amidinates: Synthesis, Characterization, and the Gradual Transition of Coordination Mode from σ Toward π Originated by Crystal Packing Interactions","Organometallics","2008","27","8","1869","","10.1021/om701216p","","","0.71073","MoKα","","0.0764","0.0445","","","0.1138","0.122","","","","","","1.048","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071037","9.055","0.002","35.595","0.007","12.621","0.002","90","","104.95","0.03","90","","3930.2","1.4","240","1","240","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Moris-176(Sinay)","","","- C30 H54 Li2 N4 Si4 -","- C30 H54 Li2 N4 Si4 -","- C120 H216 Li8 N16 Si16 -","4","1","","Aharonovich, Sinai; Kapon, Moshe; Botoshanski, Mark; Eisen, Moris S.","N,N′-Bis-Silylated Lithium Aryl Amidinates: Synthesis, Characterization, and the Gradual Transition of Coordination Mode from σ Toward π Originated by Crystal Packing Interactions","Organometallics","2008","27","8","1869","","10.1021/om701216p","","","0.71073","MoKα","","0.1706","0.0703","","","0.1881","0.2314","","","","","","0.912","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071038","11.859","0.003","18.165","0.005","12.637","0.004","90","","111.89","0.02","90","","2526","1.3","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H13 I2 Mo2 O6 P -","- C22 H13 I2 Mo2 O6 P -","- C88 H52 I8 Mo8 O24 P4 -","4","1","","Ricci, Antonella; Angelucci, Francesco; Chiarini, Marco; Sterzo, Claudio Lo; Masi, Dante; Giambastiani, Giuliano; Bianchini, Claudio","Bis(cyclopentadienyl)phenylphosphine as Ligand Precursor for Assembling Heteropolymetal Complexes","Organometallics","2008","27","7","1617","","10.1021/om701221p","","x-ray","0.71069","MoKα","","0.0599","0.0315","","","0.0675","0.0756","","","","","","1.02","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071039","10.0235","0.0012","15.6305","0.0019","8.5246","0.0011","90","","96.184","0.002","90","","1327.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 B N Si -","- C13 H18 B N Si -","- C52 H72 B4 N4 Si4 -","4","1","","Pan, Jun; Kampf, Jeff W.; Ashe III, Arthur J.","The Preparation and Crystal Structures of η1-Derivatives of 2-Phenyl-1,2-azaboratabenzene","Organometallics","2008","27","6","1345","","10.1021/om701224c","","","0.71073","MoKα","","0.0424","0.0348","","","0.0923","0.0981","","","","","","1.043","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071040","14.7537","0.0016","11.6042","0.0012","15.1993","0.0017","90","","108.281","0.002","90","","2470.9","0.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 B2 N2 Zr -","- C30 H28 B2 N2 Zr -","- C120 H112 B8 N8 Zr4 -","4","1","","Pan, Jun; Kampf, Jeff W.; Ashe III, Arthur J.","The Preparation and Crystal Structures of η1-Derivatives of 2-Phenyl-1,2-azaboratabenzene","Organometallics","2008","27","6","1345","","10.1021/om701224c","","","0.71073","MoKα","","0.028","0.0244","","","0.0643","0.0667","","","","","","1.05","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071041","13.052","0.0004","13.841","0.0005","14.526","0.0006","90","","90","","90","","2624.16","0.16","131","2","131","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","smkvi5","smkvi5","","- C24 H46 N P2 Rh -","- C24 H46 N P2 Rh -","- C96 H184 N4 P8 Rh4 -","4","1","","Hanson, Susan Kloek; Heinekey, D. Michael; Goldberg, Karen I.","C−H Bond Activation by Rhodium(I) Phenoxide and Acetate Complexes: Mechanism of H−D Exchange between Arenes and Water","Organometallics","2008","27","7","1454","","10.1021/om7012259","","","0.71073","MoKα","","0.1108","0.0531","","","0.1072","0.1277","","","","","","0.961","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071042","8.4223","0.0002","15.6644","0.0004","22.9973","0.0007","90","","93.5385","0.0011","90","","3028.26","0.14","130","2","130","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","SMK005","SMK005","","- C24 H43 F3 N3 O3 P2 Rh S -","- C24 H43 F3 N3 O3 P2 Rh S -","- C96 H172 F12 N12 O12 P8 Rh4 S4 -","4","1","","Hanson, Susan Kloek; Heinekey, D. Michael; Goldberg, Karen I.","C−H Bond Activation by Rhodium(I) Phenoxide and Acetate Complexes: Mechanism of H−D Exchange between Arenes and Water","Organometallics","2008","27","7","1454","","10.1021/om7012259","","","0.71069","MoKα","","0.0798","0.045","","","0.1009","0.1132","","","","","","0.935","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071043","10.3991","0.0002","11.5735","0.0002","18.0621","0.0004","101.4","0.0008","91.9941","0.0009","110.495","0.0009","1983.22","0.07","130","2","130","2","","","","","","","","6","P -1","-P 1","2","SMK007","SMK007","","- C41 H60 N O3 P2 Rh -","- C41 H60 N O3 P2 Rh -","- C82 H120 N2 O6 P4 Rh2 -","2","1","","Hanson, Susan Kloek; Heinekey, D. Michael; Goldberg, Karen I.","C−H Bond Activation by Rhodium(I) Phenoxide and Acetate Complexes: Mechanism of H−D Exchange between Arenes and Water","Organometallics","2008","27","7","1454","","10.1021/om7012259","","","0.71073","MoKα","","0.0731","0.0455","","","0.0966","0.1056","","","","","","0.971","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071044","11.438","0.002","20.166","0.004","14.17","0.003","90","","113.8","","90","","2990.5","1","223","2","223","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C59.5 H53 Cl3 O2.5 Os P3 -","- C59.5 H53 Cl3 O2.5 Os P3 -","- C119 H106 Cl6 O5 Os2 P6 -","2","1","","Gong, Lei; Lin, Yumei; He, Guomei; Zhang, Hong; Wang, Huijuan; Wen, Ting Bin; Xia, Haiping","Synthesis and Characterization of an Air-Stablep-Osmaphenol","Organometallics","2008","27","3","309","","10.1021/om7012265","","","0.71073","MoKα","","0.0503","0.0479","","","0.1222","0.1238","","","","","","1.114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071045","19.1611","0.0016","9.9137","0.0008","26.3","0.002","90","","105.754","0.001","90","","4808.2","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H49 Cl11 O Os P4 -","- C35 H49 Cl11 O Os P4 -","- C140 H196 Cl44 O4 Os4 P16 -","4","1","","Gong, Lei; Lin, Yumei; He, Guomei; Zhang, Hong; Wang, Huijuan; Wen, Ting Bin; Xia, Haiping","Synthesis and Characterization of an Air-Stablep-Osmaphenol","Organometallics","2008","27","3","309","","10.1021/om7012265","","","0.71073","MoKα","","0.0549","0.0298","","","0.0492","0.0527","","","","","","1.001","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071046","16.1222","0.0019","17.089","0.002","32.257","0.004","90","","90","","90","","8887.2","1.8","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C34 H48 Cl8 O Os P4 -","- C34 H48 Cl8 O Os P4 -","- C272 H384 Cl64 O8 Os8 P32 -","8","1","","Gong, Lei; Lin, Yumei; He, Guomei; Zhang, Hong; Wang, Huijuan; Wen, Ting Bin; Xia, Haiping","Synthesis and Characterization of an Air-Stablep-Osmaphenol","Organometallics","2008","27","3","309","","10.1021/om7012265","","","0.71073","MoKα","","0.0817","0.0424","","","0.0743","0.0816","","","","","","1.008","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071047","16.1548","0.0001","9.2541","0.0001","22.0546","0.0002","90","","90","","90","","3297.12","0.05","293","2","293","2","","","","","","","synthesis","6","P c a 21","P 2c -2ac","29","","","","- C37 H32 N O3 P3 S -","- C37 H32 N O3 P3 S -","- C148 H128 N4 O12 P12 S4 -","4","1","","Cadierno, Victorio; Díez, Josefina; García-Álvarez, Joaquín; Gimeno, José","(η6-Arene)−Ruthenium(II) Complexes Containing Methanide and Methandiide Anions of Ph2P(S)CH2P(NR)Ph2: Unprecedented Insertion of Isocyanide into a Ruthenium−Carbene Bond","Organometallics","2008","27","8","1809","","10.1021/om701228a","","","1.5418","CuKα","","0.0334","0.0322","","","0.0842","0.0852","","","","","","1.033","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071048","9.7483","0.001","13.3566","0.001","13.8758","0.0012","87.933","0.006","82.946","0.006","72.76","0.005","1712.5","0.3","200","2","200","2","","","","","","","synthesis","6","P -1","-P 1","2","","","","- C37 H32 N O2 P3 S2 -","- C37 H32 N O2 P3 S2 -","- C74 H64 N2 O4 P6 S4 -","2","1","","Cadierno, Victorio; Díez, Josefina; García-Álvarez, Joaquín; Gimeno, José","(η6-Arene)−Ruthenium(II) Complexes Containing Methanide and Methandiide Anions of Ph2P(S)CH2P(NR)Ph2: Unprecedented Insertion of Isocyanide into a Ruthenium−Carbene Bond","Organometallics","2008","27","8","1809","","10.1021/om701228a","","","1.5418","CuKα","","0.0669","0.0608","","","0.1615","0.1744","","","","","","1.035","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071049","20.0192","0.0002","12.3803","0.0002","20.9031","0.0002","90","","115.912","0.001","90","","4659.87","0.11","100","2","100","2","","","","","","","synthesis","9","P 1 21/n 1","-P 2yn","14","","","","- C47 H45 F6 N O3 P3 Ru S Sb -","- C47 H45 F6 N O3 P3 Ru S Sb -","- C188 H180 F24 N4 O12 P12 Ru4 S4 Sb4 -","4","1","","Cadierno, Victorio; Díez, Josefina; García-Álvarez, Joaquín; Gimeno, José","(η6-Arene)−Ruthenium(II) Complexes Containing Methanide and Methandiide Anions of Ph2P(S)CH2P(NR)Ph2: Unprecedented Insertion of Isocyanide into a Ruthenium−Carbene Bond","Organometallics","2008","27","8","1809","","10.1021/om701228a","","","1.5418","CuKα","","0.0704","0.0609","","","0.1586","0.1684","","","","","","1.055","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071050","11.3019","0.0002","12.332","0.0002","16.0514","0.0003","97.042","0.001","95.058","0.001","90.731","0.001","2211.01","0.07","297","2","297","2","","","","","","","synthesis","9","P -1","-P 1","2","","","","- C39 H45 F6 N O2 P3 Ru S2 Sb -","- C39 H45 F6 N O2 P3 Ru S2 Sb -","- C78 H90 F12 N2 O4 P6 Ru2 S4 Sb2 -","2","1","","Cadierno, Victorio; Díez, Josefina; García-Álvarez, Joaquín; Gimeno, José","(η6-Arene)−Ruthenium(II) Complexes Containing Methanide and Methandiide Anions of Ph2P(S)CH2P(NR)Ph2: Unprecedented Insertion of Isocyanide into a Ruthenium−Carbene Bond","Organometallics","2008","27","8","1809","","10.1021/om701228a","","","1.54178","CuKα","","0.0461","0.0415","","","0.1164","0.1216","","","","","","1.048","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071051","13.2605","0.0002","31.3082","0.0003","17.3833","0.0002","90","","91.241","0.001","90","","7215.2","0.15","100","2","100","2","","","","","","","synthesis","7","P 1 21/n 1","-P 2yn","14","","","","- C81 H80 Cl4 N6 P2 Ru S -","- C81 H80 Cl4 N6 P2 Ru S -","- C324 H320 Cl16 N24 P8 Ru4 S4 -","4","1","","Cadierno, Victorio; Díez, Josefina; García-Álvarez, Joaquín; Gimeno, José","(η6-Arene)−Ruthenium(II) Complexes Containing Methanide and Methandiide Anions of Ph2P(S)CH2P(NR)Ph2: Unprecedented Insertion of Isocyanide into a Ruthenium−Carbene Bond","Organometallics","2008","27","8","1809","","10.1021/om701228a","","","1.54178","CuKα","","0.0686","0.044","","","0.1048","0.1181","","","","","","1","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071052","21.9397","0.0007","16.9151","0.0006","13.7806","0.0006","90","","93.952","0.004","90","","5102","0.3","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H25 Cl2 O Ti -","- C33 H25 Cl2 O Ti -","- C264 H200 Cl16 O8 Ti8 -","8","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Beckhaus, Ruediger; Kretschmer, Winfried P.; Lützen, Arne","Tetrabenzo[a,c,g,i]fluorenyltitanium(III) and -(IV) Complexes: Syntheses, Reactions, and Catalytic Application","Organometallics","2008","27","8","1859","","10.1021/om7012293","","","0.71073","MoKα","","0.0383","0.0288","","","0.0742","0.077","","","","","","0.997","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071053","10.5761","0.0006","18.6258","0.001","12.9464","0.001","90","","110.549","0.008","90","","2388","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29.5 H18 Cl4 Ti -","- C29.5 H18 Cl4 Ti -","- C118 H72 Cl16 Ti4 -","4","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Beckhaus, Ruediger; Kretschmer, Winfried P.; Lützen, Arne","Tetrabenzo[a,c,g,i]fluorenyltitanium(III) and -(IV) Complexes: Syntheses, Reactions, and Catalytic Application","Organometallics","2008","27","8","1859","","10.1021/om7012293","","","0.71073","MoKα","","0.0908","0.0388","","","0.0618","0.0712","","","","","","0.794","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071054","10.5863","0.0018","10.7139","0.0014","14.898","0.003","109.84","0.02","97.97","0.02","99.321","0.018","1534","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H30 Cl2 O Ti -","- C39 H30 Cl2 O Ti -","- C78 H60 Cl4 O2 Ti2 -","2","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Beckhaus, Ruediger; Kretschmer, Winfried P.; Lützen, Arne","Tetrabenzo[a,c,g,i]fluorenyltitanium(III) and -(IV) Complexes: Syntheses, Reactions, and Catalytic Application","Organometallics","2008","27","8","1859","","10.1021/om7012293","","","0.71073","MoKα","","0.2285","0.0675","","","0.1272","0.1752","","","","","","0.758","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071055","14.6198","0.0014","10.0172","0.0005","19.524","0.002","90","","102.673","0.011","90","","2789.6","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H26 Cl2 O Ti -","- C37 H26 Cl2 O Ti -","- C148 H104 Cl8 O4 Ti4 -","4","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Beckhaus, Ruediger; Kretschmer, Winfried P.; Lützen, Arne","Tetrabenzo[a,c,g,i]fluorenyltitanium(III) and -(IV) Complexes: Syntheses, Reactions, and Catalytic Application","Organometallics","2008","27","8","1859","","10.1021/om7012293","","","0.71073","MoKα","","0.1432","0.0492","","","0.0786","0.1017","","","","","","0.671","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071056","10.3873","0.0003","18.6488","0.0009","14.7521","0.0006","90","","96.188","0.004","90","","2841","0.2","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H28 Cl2 O Ti -","- C38 H28 Cl2 O Ti -","- C152 H112 Cl8 O4 Ti4 -","4","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Beckhaus, Ruediger; Kretschmer, Winfried P.; Lützen, Arne","Tetrabenzo[a,c,g,i]fluorenyltitanium(III) and -(IV) Complexes: Syntheses, Reactions, and Catalytic Application","Organometallics","2008","27","8","1859","","10.1021/om7012293","","","0.71073","MoKα","","0.0661","0.0331","","","0.0593","0.0649","","","","","","0.813","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071057","12.9695","0.0007","14.7973","0.0007","17.2211","0.0011","90","","100.068","0.007","90","","3254.1","0.3","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H34 Cl2 O Ti -","- C41 H34 Cl2 O Ti -","- C164 H136 Cl8 O4 Ti4 -","4","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Beckhaus, Ruediger; Kretschmer, Winfried P.; Lützen, Arne","Tetrabenzo[a,c,g,i]fluorenyltitanium(III) and -(IV) Complexes: Syntheses, Reactions, and Catalytic Application","Organometallics","2008","27","8","1859","","10.1021/om7012293","","","0.71073","MoKα","","0.0562","0.0343","","","0.0793","0.0853","","","","","","0.907","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071058","9.5715","0.0008","12.8182","0.001","16.3538","0.0014","92.982","0.01","95.251","0.01","109.988","0.01","1870.2","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C50.5 H34 Cl2 O Ti -","- C50.5 H34 Cl2 O Ti -","- C101 H68 Cl4 O2 Ti2 -","2","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Beckhaus, Ruediger; Kretschmer, Winfried P.; Lützen, Arne","Tetrabenzo[a,c,g,i]fluorenyltitanium(III) and -(IV) Complexes: Syntheses, Reactions, and Catalytic Application","Organometallics","2008","27","8","1859","","10.1021/om7012293","","","0.71073","MoKα","","0.0534","0.0401","","","0.1083","0.1141","","","","","","0.994","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071059","10.2441","0.0005","14.2527","0.0007","14.5183","0.0007","62.46","0.005","75.719","0.006","70.775","0.006","1763.42","0.18","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.5 H39 Cl2 N O Ti -","- C41.5 H39 Cl2 N O Ti -","- C83 H78 Cl4 N2 O2 Ti2 -","2","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Beckhaus, Ruediger; Kretschmer, Winfried P.; Lützen, Arne","Tetrabenzo[a,c,g,i]fluorenyltitanium(III) and -(IV) Complexes: Syntheses, Reactions, and Catalytic Application","Organometallics","2008","27","8","1859","","10.1021/om7012293","","","0.71073","MoKα","","0.0492","0.0392","","","0.1075","0.1119","","","","","","1.045","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071060","13.3823","0.0006","10.8547","0.0003","18.1479","0.0009","90","","92.797","0.006","90","","2633.04","0.19","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 Cl2 O Ti -","- C33 H26 Cl2 O Ti -","- C132 H104 Cl8 O4 Ti4 -","4","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Beckhaus, Ruediger; Kretschmer, Winfried P.; Lützen, Arne","Tetrabenzo[a,c,g,i]fluorenyltitanium(III) and -(IV) Complexes: Syntheses, Reactions, and Catalytic Application","Organometallics","2008","27","8","1859","","10.1021/om7012293","","","0.71073","MoKα","","0.0427","0.0266","","","0.0589","0.0625","","","","","","0.886","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071061","8.016","0.002","8.044","0.002","17.791","0.004","87.401","0.008","83.35","0.008","81.92","0.011","1127.7","0.5","105","","105","","","","","","","","local laboratory","4","P -1","-P 1","2","Me2Si(phacH)2","3,3'-[dimethylsilylenebis(1,4-phenylene)]bis(2,4-pentanedione)","","- C24 H28 O4 Si -","- C24 H28 O4 Si -","- C48 H56 O8 Si2 -","2","1","","Pariya, Chandi; Marcos, Yoseph S.; Zhang, Yixun; Fronczek, Frank R.; Maverick, Andrew W.","Organosilicon-Based Multifunctional β-Diketones and their Rhodium and Iridium Complexes","Organometallics","2008","27","17","4318","","10.1021/om701233a","","","0.71073","MoKα","","0.062","0.042","","","0.103","0.111","","","","","","1.034","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071062","9.845","0.002","16.663","0.003","17.247","0.004","68.294","0.01","89.725","0.008","83.072","0.009","2607.1","1","110","","110","","","","","","","","Local laboratory","4","P -1","-P 1","2","Me2Si(phprH)2","4,4'-[Dimethylsilylenebis(1,4-phenylene)]bis(3,5-heptanedione)","","- C28 H36 O4 Si -","- C28 H36 O4 Si -","- C112 H144 O16 Si4 -","4","2","","Pariya, Chandi; Marcos, Yoseph S.; Zhang, Yixun; Fronczek, Frank R.; Maverick, Andrew W.","Organosilicon-Based Multifunctional β-Diketones and their Rhodium and Iridium Complexes","Organometallics","2008","27","17","4318","","10.1021/om701233a","","","0.71073","MoKα","","0.13","0.06","","","0.109","0.134","","","","","","1.022","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071063","7.3493","0.001","22.774","0.005","18.64","0.005","90","","91.177","0.007","90","","3119.2","1.2","105","","105","","","","","","","","local laboratory","4","P 1 21/n 1","-P 2yn","14","MeSi(phacH)3","3,3',3""-[Methylsilylidynetris(1,4-phenylene)]tris(2,4-pentanedione)","","- C34 H36 O6 Si -","- C34 H36 O6 Si -","- C136 H144 O24 Si4 -","4","1","","Pariya, Chandi; Marcos, Yoseph S.; Zhang, Yixun; Fronczek, Frank R.; Maverick, Andrew W.","Organosilicon-Based Multifunctional β-Diketones and their Rhodium and Iridium Complexes","Organometallics","2008","27","17","4318","","10.1021/om701233a","","","0.71073","MoKα","","0.134","0.056","","","0.112","0.134","","","","","","1.003","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071064","13.336","0.002","22.955","0.003","25.885","0.004","70.796","0.008","78.854","0.008","89.768","0.009","7326.8","1.9","110","","110","","","","","","","","local laboratory","4","P -1","-P 1","2","MeSi(phprH)3","4,4',4""-[Methylsilylidynetris(1,4-phenylene)]tris(3,5-heptanedione)","","- C40 H48 O6 Si -","- C40 H47.75 O6 Si -","- C320 H382 O48 Si8 -","8","4","","Pariya, Chandi; Marcos, Yoseph S.; Zhang, Yixun; Fronczek, Frank R.; Maverick, Andrew W.","Organosilicon-Based Multifunctional β-Diketones and their Rhodium and Iridium Complexes","Organometallics","2008","27","17","4318","","10.1021/om701233a","","","0.71073","MoKα","","0.193","0.095","","","0.234","0.287","","","","","","1.028","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071065","13.507","0.001","15.562","0.001","22.709","0.0015","70.463","0.004","86.892","0.003","87.139","0.003","4489.3","0.5","100","","100","","","","","","","","Local laboratory","6","P -1","-P 1","2","Me2Si(phac-Rh(COD))2","Bis(1,5-cyclooctadiene)[mu-[3,3'-[dimethylsilylenebis(1,4- phenylene)]bis(2,4-pentanedionato)]dirhodium chloroform solvate","","- C42 H52 Cl6 O4 Rh2 Si -","- C42 H52 Cl6 O4 Rh2 Si -","- C168 H208 Cl24 O16 Rh8 Si4 -","4","2","","Pariya, Chandi; Marcos, Yoseph S.; Zhang, Yixun; Fronczek, Frank R.; Maverick, Andrew W.","Organosilicon-Based Multifunctional β-Diketones and their Rhodium and Iridium Complexes","Organometallics","2008","27","17","4318","","10.1021/om701233a","","","0.71073","MoKα","","0.115","0.051","","","0.1091","0.137","","","","","","0.987","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071066","6.8596","0.001","16.044","0.003","27.2","0.005","98.156","0.007","96.646","0.009","97.498","0.009","2910.3","0.9","90","","90","","","","","","","","local laboratory","5","P -1","-P 1","2","MeSi(phac-Rh(COD))3","tris(1,5-cyclooctadiene)[mu-[3,3',3""-[methylsilylidynetris(1,4- phenylene)]tris(2,4-pentanedionato)]trirhodium toluene solvate","","- C65 H77 O6 Rh3 Si -","- C65 H74 O6 Rh3 Si -","- C130 H148 O12 Rh6 Si2 -","2","1","","Pariya, Chandi; Marcos, Yoseph S.; Zhang, Yixun; Fronczek, Frank R.; Maverick, Andrew W.","Organosilicon-Based Multifunctional β-Diketones and their Rhodium and Iridium Complexes","Organometallics","2008","27","17","4318","","10.1021/om701233a","","","0.71073","MoKα","","0.119","0.06","","","0.118","0.138","","","","","","1.022","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071067","7.1909","0.0015","16.858","0.002","25.998","0.003","85.689","0.004","84.728","0.004","84.439","0.004","3116.5","0.8","90","","90","","","","","","","","local laboratory","5","P -1","-P 1","2","MeSi(phpr-Rh(COD))3","tris(1,5-cyclooctadiene)[mu-[4,4',4""-[methylsilylidynetris(1,4- phenylene)]tris(3,5-heptanedionato)]trirhodium diethyl ether solvate","","- C68 H91 O7 Rh3 Si -","- C68 H91 O7 Rh3 Si -","- C136 H182 O14 Rh6 Si2 -","2","1","","Pariya, Chandi; Marcos, Yoseph S.; Zhang, Yixun; Fronczek, Frank R.; Maverick, Andrew W.","Organosilicon-Based Multifunctional β-Diketones and their Rhodium and Iridium Complexes","Organometallics","2008","27","17","4318","","10.1021/om701233a","","","0.71073","MoKα","","0.085","0.061","","","0.136","0.152","","","","","","1.028","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071068","10.401","0.001","11.508","0.001","12.431","0.001","68.66","0.01","66.65","0.01","68.36","0.01","1227.8","0.2","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H80 Cd5 N6 O6 -","- C35 H80 Cd5 N6 O6 -","- C35 H80 Cd5 N6 O6 -","1","0.5","","Jana, Surajit; Fröhlich, Roland; Hepp, Alexander; Mitzel, Norbert W.","An Organocadmium Hydroxylamide","Organometallics","2008","27","6","1348","","10.1021/om7012343","","","0.71073","MoKα","","0.0363","0.029","","","0.0677","0.0715","","","","","","1.033","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071069","9.0412","0.0002","14.243","0.0003","15.6092","0.0004","90","","105.103","0.001","90","","1940.63","0.08","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H33 N O W -","- C19 H33 N O W -","- C76 H132 N4 O4 W4 -","4","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Fujita-Takayama, Chikako; Patrick, Brian O.; Legzdins, Peter","Different Modes of Reactivity of Cp*W(NO)(alkyl)(η3-allyl) Complexes with Cyclic Amines: The Influence of the Allyl Ligands","Organometallics","2008","27","7","1634","","10.1021/om701236k","","","0.71073","MoKα","","0.0222","0.0178","","","0.0411","0.0423","","","","","","1.08","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071070","12.7252","0.0006","11.7231","0.0005","15.2438","0.0007","90","","102.146","0.002","90","","2223.15","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H35 N O W -","- C24 H35 N O W -","- C96 H140 N4 O4 W4 -","4","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Fujita-Takayama, Chikako; Patrick, Brian O.; Legzdins, Peter","Different Modes of Reactivity of Cp*W(NO)(alkyl)(η3-allyl) Complexes with Cyclic Amines: The Influence of the Allyl Ligands","Organometallics","2008","27","7","1634","","10.1021/om701236k","","","0.71073","MoKα","","0.0255","0.021","","","0.0643","0.066","","","","","","1.153","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071071","9.4739","0.0014","13.991","0.002","15.631","0.002","90","","105.378","0.007","90","","1997.7","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 N O Si W -","- C18 H33 N O Si W -","- C72 H132 N4 O4 Si4 W4 -","4","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Fujita-Takayama, Chikako; Patrick, Brian O.; Legzdins, Peter","Different Modes of Reactivity of Cp*W(NO)(alkyl)(η3-allyl) Complexes with Cyclic Amines: The Influence of the Allyl Ligands","Organometallics","2008","27","7","1634","","10.1021/om701236k","","","0.71073","MoKα","","0.0627","0.0456","","","0.0969","0.1103","","","","","","1.181","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071072","10.651","0.0006","11.5052","0.0006","15.1007","0.0008","90","","96.778","0.003","90","","1837.54","0.17","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 N O W -","- C18 H31 N O W -","- C72 H124 N4 O4 W4 -","4","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Fujita-Takayama, Chikako; Patrick, Brian O.; Legzdins, Peter","Different Modes of Reactivity of Cp*W(NO)(alkyl)(η3-allyl) Complexes with Cyclic Amines: The Influence of the Allyl Ligands","Organometallics","2008","27","7","1634","","10.1021/om701236k","","","0.71073","MoKα","","0.0393","0.0304","","","0.0998","0.1024","","","","","","1.106","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071073","11.732","0.003","13.594","0.002","15.641","0.003","90","","104.161","0.008","90","","2418.7","0.9","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 N2 O W -","- C24 H42 N2 O W -","- C96 H168 N8 O4 W4 -","4","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Fujita-Takayama, Chikako; Patrick, Brian O.; Legzdins, Peter","Different Modes of Reactivity of Cp*W(NO)(alkyl)(η3-allyl) Complexes with Cyclic Amines: The Influence of the Allyl Ligands","Organometallics","2008","27","7","1634","","10.1021/om701236k","","","0.71069","MoKα","","0.043","0.0262","","","0.0651","0.0665","","","","","","0.938","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071074","10.776","0.001","18.681","0.002","13.048","0.001","90","","98.56","0.005","90","","2597.4","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H44 N2 O W -","- C25 H44 N2 O W -","- C100 H176 N8 O4 W4 -","4","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Fujita-Takayama, Chikako; Patrick, Brian O.; Legzdins, Peter","Different Modes of Reactivity of Cp*W(NO)(alkyl)(η3-allyl) Complexes with Cyclic Amines: The Influence of the Allyl Ligands","Organometallics","2008","27","7","1634","","10.1021/om701236k","","","0.71069","MoKα","","0.0252","0.0201","","","0.0472","0.0502","","","","","","1.065","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071075","12.6452","0.0004","8.1081","0.0003","22.9995","0.0008","90","","95.311","0.002","90","","2347.98","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H40 N2 O W -","- C23 H40 N2 O W -","- C92 H160 N8 O4 W4 -","4","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Fujita-Takayama, Chikako; Patrick, Brian O.; Legzdins, Peter","Different Modes of Reactivity of Cp*W(NO)(alkyl)(η3-allyl) Complexes with Cyclic Amines: The Influence of the Allyl Ligands","Organometallics","2008","27","7","1634","","10.1021/om701236k","","","0.71073","MoKα","","0.0252","0.02","","","0.048","0.05","","","","","","1.061","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071076","8.0022","0.001","16.383","0.003","17.082","0.003","84.451","0.006","89.925","0.006","84.088","0.006","2217","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H37 N3 O W -","- C21 H37 N3 O W -","- C84 H148 N12 O4 W4 -","4","2","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Fujita-Takayama, Chikako; Patrick, Brian O.; Legzdins, Peter","Different Modes of Reactivity of Cp*W(NO)(alkyl)(η3-allyl) Complexes with Cyclic Amines: The Influence of the Allyl Ligands","Organometallics","2008","27","7","1634","","10.1021/om701236k","","","0.71073","MoKα","","0.0596","0.0315","","","0.052","0.0553","","","","","","0.883","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071077","8.3878","0.0004","10.8845","0.0005","23.6171","0.0011","96.175","0.003","93.566","0.003","105.236","0.003","2059.1","0.17","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C47.5 H54.74 B2 Cl0.25 F2 N2 -","- C47.496 H54.74 B2 Cl0.252 F2 N2 -","- C94.992 H109.48 B4 Cl0.504 F4 N4 -","2","1","","Huh, Jung Oh; Do, Youngkyu; Lee, Min Hyung","A BODIPY−Borane Dyad for the Selective Complexation of Cyanide Ion","Organometallics","2008","27","6","1022","","10.1021/om701237t","","","0.71073","MoKα","","0.1038","0.058","","","0.1613","0.1852","","","","","","1.035","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071078","11.3239","0.0008","17.6439","0.0012","24.9126","0.0017","105.789","0.004","90.657","0.004","97.962","0.005","4737.2","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C106 H131 B4 F4 N9 -","- C106 H131 B4 F4 N9 -","- C212 H262 B8 F8 N18 -","2","1","","Huh, Jung Oh; Do, Youngkyu; Lee, Min Hyung","A BODIPY−Borane Dyad for the Selective Complexation of Cyanide Ion","Organometallics","2008","27","6","1022","","10.1021/om701237t","","","0.71073","MoKα","","0.2159","0.0688","","","0.153","0.2147","","","","","","1.003","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071079","8.7611","0.0019","12.321","0.003","12.427","0.003","105.131","0.004","100.907","0.004","106.022","0.004","1194.3","0.5","120","0.1","120","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C28 H29 Fe2 O3 P -","- C28 H29 Fe2 O3 P -","- C56 H58 Fe4 O6 P2 -","2","1","","Alvarez, M. Angeles; García, M. Esther; González, Rocío; Ruiz, Miguel A.","Nucleophilic and Electrophilic Behavior of the Phosphinidene-Bridged Complex [Fe2(η5-C5H5)2(μ-PCy)(μ-CO)(CO)2]","Organometallics","2008","27","6","1037","","10.1021/om701238f","","x-ray","0.71073","MoKα","","0.0523","0.0369","","","0.0925","0.098","","","","","","1.055","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071080","13.158","0.002","13.171","0.002","14.28","0.003","90","","91.119","0.004","90","","2474.3","0.7","120","0.1","120","0.1","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H29 Fe2 O3 P -","- C28 H29 Fe2 O3 P -","- C112 H116 Fe8 O12 P4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; González, Rocío; Ruiz, Miguel A.","Nucleophilic and Electrophilic Behavior of the Phosphinidene-Bridged Complex [Fe2(η5-C5H5)2(μ-PCy)(μ-CO)(CO)2]","Organometallics","2008","27","6","1037","","10.1021/om701238f","","x-ray","0.71073","MoKα","","0.0535","0.0352","","","0.0754","0.0807","","","","","","1.058","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071081","18.5613","0.0004","10.1935","0.0002","12.5422","0.0002","90","","102.496","0.001","90","","2316.83","0.08","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Fe2 N2 O2 P Si -","- C22 H31 Fe2 N2 O2 P Si -","- C88 H124 Fe8 N8 O8 P4 Si4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; González, Rocío; Ruiz, Miguel A.","Nucleophilic and Electrophilic Behavior of the Phosphinidene-Bridged Complex [Fe2(η5-C5H5)2(μ-PCy)(μ-CO)(CO)2]","Organometallics","2008","27","6","1037","","10.1021/om701238f","","x-ray","0.71073","MoKα","","0.0707","0.0472","","","0.1233","0.1672","","","","","","1.222","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071082","9.996","0.004","23.873","0.008","15.218","0.006","90","","99.64","0.05","90","","3580","2","298","","298","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","{[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolinylidene]dichloro- {[(2-isopropoxyphenyl)methylene]tricarbonylchromium}}ruthenium","","- C34 H27 Cl2 Cr N2 O4 Ru -","- C34 H27 Cl2 Cr N2 O4 Ru -","- C136 H108 Cl8 Cr4 N8 O16 Ru4 -","4","1","","Vinokurov, Nikolai; Garabatos-Perera, José Ramon; Zhao-Karger, Zhirong; Wiebcke, Michael; Butenschön, Holger","A New, Highly Active Bimetallic Grubbs‒Hoveyda‒Blechert Precatalyst for Alkene Metathesis","Organometallics","2008","27","8","1878","","10.1021/om701242t","","","0.71073","MoKα","","0.1383","0.0442","","","0.0615","0.0723","","","","","","0.699","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071083","17.536","0.001","9.85","0.001","12.428","0.001","90","","125.65","0.001","90","","1744.4","0.2","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 F12 Fe P2 -","- C14 H8 F12 Fe P2 -","- C56 H32 F48 Fe4 P8 -","4","0.5","","Velazco, Euclides J.; Caffyn, Andrew J. M.; Le Goff, Xavier F.; Ricard, Louis","Synthesis, Structure, and Coordination Properties of 1,1′-Bis(bis(trifluoromethyl)phosphino)ferrocene, dfmpf","Organometallics","2008","27","11","2402","","10.1021/om701244b","","","0.71069","MoKα","","0.0324","0.0281","","","0.0778","0.08","","","","","","1.055","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071084","9.661","0.001","13.369","0.001","17.265","0.001","90","","114.609","0.001","90","","2027.4","0.3","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 Cl2 F12 Fe P2 Pt -","- C14 H8 Cl2 F12 Fe P2 Pt -","- C56 H32 Cl8 F48 Fe4 P8 Pt4 -","4","1","","Velazco, Euclides J.; Caffyn, Andrew J. M.; Le Goff, Xavier F.; Ricard, Louis","Synthesis, Structure, and Coordination Properties of 1,1′-Bis(bis(trifluoromethyl)phosphino)ferrocene, dfmpf","Organometallics","2008","27","11","2402","","10.1021/om701244b","","","0.71069","MoKα","","0.0317","0.0255","","","0.0574","0.0592","","","","","","1.064","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071085","16.293","0.001","18.822","0.001","18.758","0.001","90","","112.877","0.001","90","","5300","0.5","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 Cl2 F20 Fe P2 Pt -","- C18 H8 Cl2 F20 Fe P2 Pt -","- C144 H64 Cl16 F160 Fe8 P16 Pt8 -","8","2","","Velazco, Euclides J.; Caffyn, Andrew J. M.; Le Goff, Xavier F.; Ricard, Louis","Synthesis, Structure, and Coordination Properties of 1,1′-Bis(bis(trifluoromethyl)phosphino)ferrocene, dfmpf","Organometallics","2008","27","11","2402","","10.1021/om701244b","","","0.71069","MoKα","","0.0588","0.0423","","","0.1081","0.1181","","","","","","1.063","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071086","16.188","0.001","12.58","0.001","21.091","0.001","90","","92.701","0.001","90","","4290.3","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 F6 Fe N2 P Pd -","- C18 H24 F6 Fe N2 P Pd -","- C144 H192 F48 Fe8 N16 P8 Pd8 -","8","2","","Pérez, Sonia; López, Concepción; Bosque, Ramon; Solans, Xavier; Font-Bardía, Mercè; Roig, Anna; Molins, Elies; van Leeuwen, Piet W. N. M.; van Strijdonck, Gino P. F.; Freixa, Zoraida","Chelate-Size Effects on the Structures, Chemical Behavior, Properties, and Catalytic Activity of the New Palladium(II)−Allyl Complexes [Pd(η3-1-R1-C3H4){FcCHN-CH2-(CH2)n-NMe2}][PF6] {Fc = (η5-C5H5)Fe(η5-C5H4),n= 2 or 1, and R1= H or Ph}","Organometallics","2008","27","17","4288","","10.1021/om7012452","","","0.71069","MoKα","","0.0514","0.041","","","0.1264","0.1299","","","","","","1.116","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071087","16.188","0.001","12.58","0.001","21.091","0.001","90","","92.701","0.001","90","","4290.3","0.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 F6 Fe N2 P Pd -","- C18 H25 F6 Fe N2 P Pd -","- C144 H200 F48 Fe8 N16 P8 Pd8 -","8","2","","Pérez, Sonia; López, Concepción; Bosque, Ramon; Solans, Xavier; Font-Bardía, Mercè; Roig, Anna; Molins, Elies; van Leeuwen, Piet W. N. M.; van Strijdonck, Gino P. F.; Freixa, Zoraida","Chelate-Size Effects on the Structures, Chemical Behavior, Properties, and Catalytic Activity of the New Palladium(II)−Allyl Complexes [Pd(η3-1-R1-C3H4){FcCHN-CH2-(CH2)n-NMe2}][PF6] {Fc = (η5-C5H5)Fe(η5-C5H4),n= 2 or 1, and R1= H or Ph}","Organometallics","2008","27","17","4288","","10.1021/om7012452","","","0.71069","MoKα","","0.0485","0.0466","","","0.121","0.1224","","","","","","1.096","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071088","9.717","0.001","14.296","0.001","16.165","0.001","90","","90","","90","","2245.5","0.3","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 F6 Fe N2 P Pd -","- C19 H27 F6 Fe N2 P Pd -","- C76 H108 F24 Fe4 N8 P4 Pd4 -","4","1","","Pérez, Sonia; López, Concepción; Bosque, Ramon; Solans, Xavier; Font-Bardía, Mercè; Roig, Anna; Molins, Elies; van Leeuwen, Piet W. N. M.; van Strijdonck, Gino P. F.; Freixa, Zoraida","Chelate-Size Effects on the Structures, Chemical Behavior, Properties, and Catalytic Activity of the New Palladium(II)−Allyl Complexes [Pd(η3-1-R1-C3H4){FcCHN-CH2-(CH2)n-NMe2}][PF6] {Fc = (η5-C5H5)Fe(η5-C5H4),n= 2 or 1, and R1= H or Ph}","Organometallics","2008","27","17","4288","","10.1021/om7012452","","","0.71069","MoKα","","0.0545","0.0464","","","0.1359","0.1538","","","","","","1.18","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071089","16.99","0.001","17.24","0.001","17.647","0.001","90","","90","","90","","5168.9","0.5","293","2","293","2","","","","","","","","7","P c a b","-P 2bc 2ac","61","","","","- C24 H29 F6 Fe N2 P Pd -","- C24 H27 F6 Fe N2 P Pd -","- C192 H216 F48 Fe8 N16 P8 Pd8 -","8","1","","Pérez, Sonia; López, Concepción; Bosque, Ramon; Solans, Xavier; Font-Bardía, Mercè; Roig, Anna; Molins, Elies; van Leeuwen, Piet W. N. M.; van Strijdonck, Gino P. F.; Freixa, Zoraida","Chelate-Size Effects on the Structures, Chemical Behavior, Properties, and Catalytic Activity of the New Palladium(II)−Allyl Complexes [Pd(η3-1-R1-C3H4){FcCHN-CH2-(CH2)n-NMe2}][PF6] {Fc = (η5-C5H5)Fe(η5-C5H4),n= 2 or 1, and R1= H or Ph}","Organometallics","2008","27","17","4288","","10.1021/om7012452","","","0.71073","MoKα","","0.0691","0.0647","","","0.1763","0.1816","","","","","","1.23","","","","has coordinates,has disorder","178599","2020-10-21","18:00:00",""
"4071090","11.248","0.01","12.039","0.006","19.803","0.004","90","","90","0.03","90","","2682","3","293","2","293","2","","","","","","","","7","P 21 c n","P -2n 2a","33","","","","- C25 H31 F6 Fe N2 P Pd -","- C25 H31 F6 Fe N2 P Pd -","- C100 H124 F24 Fe4 N8 P4 Pd4 -","4","1","","Pérez, Sonia; López, Concepción; Bosque, Ramon; Solans, Xavier; Font-Bardía, Mercè; Roig, Anna; Molins, Elies; van Leeuwen, Piet W. N. M.; van Strijdonck, Gino P. F.; Freixa, Zoraida","Chelate-Size Effects on the Structures, Chemical Behavior, Properties, and Catalytic Activity of the New Palladium(II)−Allyl Complexes [Pd(η3-1-R1-C3H4){FcCHN-CH2-(CH2)n-NMe2}][PF6] {Fc = (η5-C5H5)Fe(η5-C5H4),n= 2 or 1, and R1= H or Ph}","Organometallics","2008","27","17","4288","","10.1021/om7012452","","","0.71073","MoKα","","0.1448","0.0547","","","0.1097","0.1351","","","","","","0.998","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071091","6.796","0.005","8.163","0.006","16.939","0.013","90","","96.36","0.009","90","","933.9","1.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Fe0.5 O2 P -","- C9 H8 Fe0.5 O2 P -","- C36 H32 Fe2 O8 P4 -","4","1","","Escobar, Aholibama; Donnadieu, Bruno; Mathey, François","From Functional Phospholide Ions to Bifunctional 1,1′-Diphosphaferrocenes","Organometallics","2008","27","8","1887","","10.1021/om7012474","","","0.71073","MoKα","","0.1152","0.0767","","","0.1873","0.2058","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071092","20.816","0.005","10.489","0.002","12.513","0.003","90","","109.335","0.003","90","","2578","1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 O4 P -","- C12 H16 O4 P -","- C96 H128 O32 P8 -","8","1","","Escobar, Aholibama; Donnadieu, Bruno; Mathey, François","From Functional Phospholide Ions to Bifunctional 1,1′-Diphosphaferrocenes","Organometallics","2008","27","8","1887","","10.1021/om7012474","","","0.71073","MoKα","","0.0461","0.0406","","","0.1057","0.1099","","","","","","1.062","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071093","8.11","0.003","13.043","0.004","15.489","0.005","85.454","0.003","78.149","0.003","83.434","0.004","1590.3","0.9","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H43 B F3 N4 O3.5 S -","- C30 H43 B F3 N4 O3.5 S -","- C60 H86 B2 F6 N8 O7 S2 -","2","1","","Chiu, Ching-Wen; Gabbaï, François P.","Diarylborenium Cations: Synthesis, Structure, and Electrochemistry","Organometallics","2008","27","7","1657","","10.1021/om701249n","","","0.71073","MoKα","","0.0841","0.0608","","","0.1196","0.1276","","","","","","1.001","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071094","8.2944","0.0008","10.4347","0.001","16.1597","0.0015","104.688","0.001","96.856","0.001","100.432","0.001","1310.3","0.2","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H32 B F3 N2 O3 S -","- C26 H32 B F3 N2 O3 S -","- C52 H64 B2 F6 N4 O6 S2 -","2","1","","Chiu, Ching-Wen; Gabbaï, François P.","Diarylborenium Cations: Synthesis, Structure, and Electrochemistry","Organometallics","2008","27","7","1657","","10.1021/om701249n","","","0.71073","MoKα","","0.0575","0.0504","","","0.1076","0.1185","","","","","","1.001","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071095","9.7487","0.0003","9.9464","0.0007","10.4269","0.0006","90","","91.709","0.003","90","","1010.59","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H21 Cl2 O2 P Ru -","- C21 H21 Cl2 O2 P Ru -","- C42 H42 Cl4 O4 P2 Ru2 -","2","1","","Weber, Immo; Heinemann, Frank W.; Bauer, Walter; Superchi, Stefano; Zahl, Achim; Richter, Daniela; Zenneck, Ulrich","Diastereoselective Routes to [Amino{σ(P):η6-(ansa-phosphinite)benzene}chlororuthenium(II)] PF6Salts: Kinetic versus Thermodynamic Preferences","Organometallics","2008","27","16","4116","","10.1021/om701257m","","","0.71073","MoKα","","0.0432","0.0302","","","0.0576","0.0614","","","","","","0.826","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071096","9.364","0.001","15.414","0.002","9.544","0.002","90","","93.54","0.01","90","","1374.9","0.4","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H28 Cl F6 N O2 P2 Ru -","- C27 H28 Cl F6 N O2 P2 Ru -","- C54 H56 Cl2 F12 N2 O4 P4 Ru2 -","2","1","","Weber, Immo; Heinemann, Frank W.; Bauer, Walter; Superchi, Stefano; Zahl, Achim; Richter, Daniela; Zenneck, Ulrich","Diastereoselective Routes to [Amino{σ(P):η6-(ansa-phosphinite)benzene}chlororuthenium(II)] PF6Salts: Kinetic versus Thermodynamic Preferences","Organometallics","2008","27","16","4116","","10.1021/om701257m","","","0.71073","MoKα","","0.0262","0.022","","","0.0443","0.0452","","","","","","1.005","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071097","10.9667","0.0009","10.9759","0.0007","14.2777","0.0007","76.588","0.005","89.832","0.005","60.962","0.005","1449.39","0.19","100","2","100","2","","","","","","","","8","P 1","P 1","1","","","","- C27.5 H29 Cl F7 N O2.5 P2 Ru -","- C27.5 H29 Cl F7 N O2.5 P2 Ru -","- C55 H58 Cl2 F14 N2 O5 P4 Ru2 -","2","2","","Weber, Immo; Heinemann, Frank W.; Bauer, Walter; Superchi, Stefano; Zahl, Achim; Richter, Daniela; Zenneck, Ulrich","Diastereoselective Routes to [Amino{σ(P):η6-(ansa-phosphinite)benzene}chlororuthenium(II)] PF6Salts: Kinetic versus Thermodynamic Preferences","Organometallics","2008","27","16","4116","","10.1021/om701257m","","","0.71073","MoKα","","0.0531","0.0359","","","0.0743","0.0792","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071098","10.554","0.002","13.15","0.001","23.409","0.004","90","","90","","90","","3248.8","0.9","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 Cl F6 N O3 P2 Ru -","- C30 H36 Cl F6 N O3 P2 Ru -","- C120 H144 Cl4 F24 N4 O12 P8 Ru4 -","4","1","","Weber, Immo; Heinemann, Frank W.; Bauer, Walter; Superchi, Stefano; Zahl, Achim; Richter, Daniela; Zenneck, Ulrich","Diastereoselective Routes to [Amino{σ(P):η6-(ansa-phosphinite)benzene}chlororuthenium(II)] PF6Salts: Kinetic versus Thermodynamic Preferences","Organometallics","2008","27","16","4116","","10.1021/om701257m","","","0.71073","MoKα","","0.062","0.0528","","","0.1084","0.1114","","","","","","1.173","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071099","13.066","0.005","15.12","0.004","16.021","0.005","90","","90","","90","","3165.1","1.8","296","2","296","2","","","","","","","","6","P n n m","-P 2 2n","58","","","","- C33 H42 N O P Ru2 -","- C33 H43 N O P Ru2 -","- C132 H172 N4 O4 P4 Ru8 -","4","0.5","","Takemoto, Shin; Kimura, Yu; Kamikawa, Ken; Matsuzaka, Hiroyuki","P−H Bond Addition to a Dinuclear Ruthenium Imido Complex: Synthesis and Reactivity of an Amido Phosphido Complex","Organometallics","2008","27","8","1780","","10.1021/om701260y","","","0.71075","MoKα","","0.0338","0.0293","","","0.0771","0.0802","","","","","","1.032","","","","has coordinates","178599","2020-10-21","18:00:00",""
"4071100","9.3624","0.0014","19.378","0.004","21.286","0.004","90","","90","","90","","3861.8","1.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H49 O P3 Ru2 -","- C39 H49 O P3 Ru2 -","- C156 H196 O4 P12 Ru8 -","4","1","","Takemoto, Shin; Kimura, Yu; Kamikawa, Ken; Matsuzaka, Hiroyuki","P−H Bond Addition to a Dinuclear Ruthenium Imido Complex: Synthesis and Reactivity of an Amido Phosphido Complex","Organometallics","2008","27","8","1780","","10.1021/om701260y","","","0.71075","MoKα","","0.0315","0.028","","","0.0706","0.0725","","","","","","1.039","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071101","10.61","0.003","15.178","0.005","21.35","0.005","90","","90","","90","","3438.2","1.7","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H49 O2 P Ru2 -","- C37 H49 O2 P Ru2 -","- C148 H196 O8 P4 Ru8 -","4","1","","Takemoto, Shin; Kimura, Yu; Kamikawa, Ken; Matsuzaka, Hiroyuki","P−H Bond Addition to a Dinuclear Ruthenium Imido Complex: Synthesis and Reactivity of an Amido Phosphido Complex","Organometallics","2008","27","8","1780","","10.1021/om701260y","","","0.71075","MoKα","","0.028","0.0253","","","0.0594","0.0609","","","","","","1.036","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071102","8.3438","0.0001","36.4734","0.0004","11.8353","0.0001","90","","105.148","0.0004","90","","3476.65","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H43 Br N2 O2 -","- C42 H43 Br N2 O2 -","- C168 H172 Br4 N8 O8 -","4","2","","Gosiewska, Silvia; Martinez Herreras, Sara; Lutz, Martin; Spek, Anthony L.; Havenith, Remco W. A.; van Klink, Gerard P. M.; van Koten, Gerard; Gebbink, Robertus J. M. Klein","Synthesis, Structure, and Catalytic Performance of Diastereopure Five-Coordinated NCN-Pincer Palladium(II) Complexes Bearing Bulky Amino Acid Substituents","Organometallics","2008","27","11","2549","","10.1021/om701261q","","","0.71073","MoKα","","0.0593","0.0434","","","0.0872","0.0955","","","","","","1.013","","","","has coordinates,has disorder","178600","2020-10-21","18:00:00",""
"4071103","17.0116","0.0001","23.8755","0.0002","9.9206","0.0001","90","","90","","90","","4029.36","0.06","150","2","150","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","","","- C46.4 H52.5 Br0.67 Cl0.33 N2 O3.35 Pd -","- C46.4 H52.5 Br0.67 Cl0.33 N2 O3.35 Pd -","- C185.6 H210 Br2.68 Cl1.32 N8 O13.4 Pd4 -","4","1","","Gosiewska, Silvia; Martinez Herreras, Sara; Lutz, Martin; Spek, Anthony L.; Havenith, Remco W. A.; van Klink, Gerard P. M.; van Koten, Gerard; Gebbink, Robertus J. M. Klein","Synthesis, Structure, and Catalytic Performance of Diastereopure Five-Coordinated NCN-Pincer Palladium(II) Complexes Bearing Bulky Amino Acid Substituents","Organometallics","2008","27","11","2549","","10.1021/om701261q","","","0.71073","MoKα","","0.0341","0.0295","","","0.075","0.0772","","","","","","1.069","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071104","10.4019","0.0001","10.4019","0.0001","34.9279","0.0003","90","","90","","90","","3779.18","0.06","150","2","150","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C42 H43 F6 N2 O2 P Pd -","- C42 H43 F6 N2 O2 P Pd -","- C168 H172 F24 N8 O8 P4 Pd4 -","4","0.5","","Gosiewska, Silvia; Martinez Herreras, Sara; Lutz, Martin; Spek, Anthony L.; Havenith, Remco W. A.; van Klink, Gerard P. M.; van Koten, Gerard; Gebbink, Robertus J. M. Klein","Synthesis, Structure, and Catalytic Performance of Diastereopure Five-Coordinated NCN-Pincer Palladium(II) Complexes Bearing Bulky Amino Acid Substituents","Organometallics","2008","27","11","2549","","10.1021/om701261q","","","0.71073","MoKα","","0.0335","0.0296","","","0.0717","0.0743","","","","","","1.047","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071105","10.3592","0.0001","10.3592","0.0001","33.8828","0.0002","90","","90","","90","","3636.07","0.05","150","2","150","2","","","","","","","","7","P 41 21 2","P 4abw 2nw","92","","","","- C42 H43 B F4 N2 O2 Pd -","- C42 H43 B F4 N2 O2 Pd -","- C168 H172 B4 F16 N8 O8 Pd4 -","4","0.5","","Gosiewska, Silvia; Martinez Herreras, Sara; Lutz, Martin; Spek, Anthony L.; Havenith, Remco W. A.; van Klink, Gerard P. M.; van Koten, Gerard; Gebbink, Robertus J. M. Klein","Synthesis, Structure, and Catalytic Performance of Diastereopure Five-Coordinated NCN-Pincer Palladium(II) Complexes Bearing Bulky Amino Acid Substituents","Organometallics","2008","27","11","2549","","10.1021/om701261q","","","0.71073","MoKα","","0.0358","0.0309","","","0.0759","0.079","","","","","","1.05","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071106","12.4868","0.0007","13.0255","0.0007","23.7555","0.0013","90","","90","","90","","3863.8","0.4","153","2","153","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C32.5 H16 N1.5 O11.5 Si Zn2 -","- C32.5 H16 N1.5 O11.5 Si Zn2 -","- C130 H64 N6 O46 Si4 Zn8 -","4","0.5","","Lambert, Joseph B.; Liu, Zhongqiang; Liu, Chunqing","Metal−Organic Frameworks from Silicon- and Germanium-Centered Tetrahedral Ligands","Organometallics","2008","27","7","1464","","10.1021/om701262m","","","0.71073","MoKα","","0.0633","0.0537","","","0.1802","0.1906","","","","","","1.122","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071107","14.2546","0.0009","23.6813","0.0014","24.0132","0.0014","90","","90","","90","","8106.1","0.8","153","2","153","2","","","","","","","","6","P n n n :2","-P 2ab 2bc","48","","","","- C37 H37 Ge N3 O11 Zn1.5 -","- C28 H16 Ge O8 Zn1.5 -","- C224 H128 Ge8 O64 Zn12 -","8","1","","Lambert, Joseph B.; Liu, Zhongqiang; Liu, Chunqing","Metal−Organic Frameworks from Silicon- and Germanium-Centered Tetrahedral Ligands","Organometallics","2008","27","7","1464","","10.1021/om701262m","","","0.71073","MoKα","","0.0681","0.0379","","","0.0882","0.0931","","","","","","0.851","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071108","9.996","0.003","13.711","0.004","17.241","0.006","90","","98.46","0.03","90","","2337.3","1.3","198","2","198","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H37 Cl P4 Ti -","- C17 H37 Cl P4 Ti -","- C68 H148 Cl4 P16 Ti4 -","4","1","","You, Yujian; Girolami, Gregory S.","Mono(cyclopentadienyl)titanium(II) Complexes with Hydride, Alkyl, and Tetrahydroborate Ligands: Synthesis, Crystal Structures, and Ethylene Dimerization and Trimerization Catalysis","Organometallics","2008","27","13","3172","","10.1021/om701263v","","","0.71073","MoKα","","0.053","0.0331","","","0.0854","0.0924","","","","","","1.052","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071109","13.78","0.004","17.776","0.006","18.726","0.006","90","","90","","90","","4587","3","198","2","198","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H40 P4 Ti -","- C18 H40 P4 Ti -","- C144 H320 P32 Ti8 -","8","1","","You, Yujian; Girolami, Gregory S.","Mono(cyclopentadienyl)titanium(II) Complexes with Hydride, Alkyl, and Tetrahydroborate Ligands: Synthesis, Crystal Structures, and Ethylene Dimerization and Trimerization Catalysis","Organometallics","2008","27","13","3172","","10.1021/om701263v","","","0.71073","MoKα","","0.0494","0.0337","","","0.0875","0.093","","","","","","1.015","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071110","11.419","0.005","14.684","0.006","26.877","0.009","90","","93.46","0.03","90","","4498","3","198","2","198","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H38 P4 Ti -","- C17 H38 P4 Ti -","- C136 H304 P32 Ti8 -","8","1","","You, Yujian; Girolami, Gregory S.","Mono(cyclopentadienyl)titanium(II) Complexes with Hydride, Alkyl, and Tetrahydroborate Ligands: Synthesis, Crystal Structures, and Ethylene Dimerization and Trimerization Catalysis","Organometallics","2008","27","13","3172","","10.1021/om701263v","","","0.71073","MoKα","","0.0804","0.0497","","","0.1254","0.1463","","","","","","1.156","","","","has coordinates,has disorder","178600","2020-10-21","18:00:00",""
"4071111","16.279","0.004","9.103","0.002","20.746","0.005","90","","100.13","0.02","90","","3026.4","1.3","198","2","198","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H52 B P3 Si Ti -","- C23 H52 B P3 Si Ti -","- C92 H208 B4 P12 Si4 Ti4 -","4","1","","You, Yujian; Girolami, Gregory S.","Mono(cyclopentadienyl)titanium(II) Complexes with Hydride, Alkyl, and Tetrahydroborate Ligands: Synthesis, Crystal Structures, and Ethylene Dimerization and Trimerization Catalysis","Organometallics","2008","27","13","3172","","10.1021/om701263v","","","0.71073","MoKα","","0.1599","0.0613","","","0.1368","0.1763","","","","","","1.095","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071112","12.2077","0.0013","12.2447","0.0011","12.4139","0.0014","90","","114.101","0.008","90","","1693.9","0.3","250","","250","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl Mn O5 -","- C17 H12 Cl Mn O5 -","- C68 H48 Cl4 Mn4 O20 -","4","1","","Jacques, Béatrice; Eloi, Antoine; Chavarot-Kerlidou, Murielle; Rose-Munch, Françoise; Rose, Eric; Gérard, Hélène; Herson, Patrick","Unprecedented (η5-Formylcyclohexadienyl)Mn(CO)3Complexes: Synthesis, Structural and Theoretical Characterizations, and Resolution of the Planar Chirality","Organometallics","2008","27","11","2505","","10.1021/om7012666","","","0.71073","MoKα","","0.0455","0.0274","","0.0436","0.0336","0.0336","","","","","","1.1126","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071113","9.4528","0.0012","12.0818","0.0009","21.7123","0.0017","90","","90","","90","","2479.7","0.4","295","","295","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 Cl Mn N2 O4 -","- C25 H28 Cl Mn N2 O4 -","- C100 H112 Cl4 Mn4 N8 O16 -","4","1","","Jacques, Béatrice; Eloi, Antoine; Chavarot-Kerlidou, Murielle; Rose-Munch, Françoise; Rose, Eric; Gérard, Hélène; Herson, Patrick","Unprecedented (η5-Formylcyclohexadienyl)Mn(CO)3Complexes: Synthesis, Structural and Theoretical Characterizations, and Resolution of the Planar Chirality","Organometallics","2008","27","11","2505","","10.1021/om7012666","","","0.71073","MoKα","","0.0318","0.0232","","0.0275","0.0259","0.0259","","","","","","1.0522","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071114","8.9297","0.0008","10.794","0.001","11.1264","0.0013","72.273","0.008","80.503","0.011","88.397","0.008","1007.24","0.18","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 Mn O5 -","- C23 H19 Mn O5 -","- C46 H38 Mn2 O10 -","2","1","","Jacques, Béatrice; Eloi, Antoine; Chavarot-Kerlidou, Murielle; Rose-Munch, Françoise; Rose, Eric; Gérard, Hélène; Herson, Patrick","Unprecedented (η5-Formylcyclohexadienyl)Mn(CO)3Complexes: Synthesis, Structural and Theoretical Characterizations, and Resolution of the Planar Chirality","Organometallics","2008","27","11","2505","","10.1021/om7012666","","","0.71073","MoKα","","0.0434","0.0326","","0.0506","0.0473","0.0506","","","","","","1.3664","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071115","10.5344","0.0014","13.924","0.0008","16.439","0.002","90","","90","","90","","2411.3","0.5","250","","250","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Mn N2 O4 -","- C25 H29 Mn N2 O4 -","- C100 H116 Mn4 N8 O16 -","4","1","","Jacques, Béatrice; Eloi, Antoine; Chavarot-Kerlidou, Murielle; Rose-Munch, Françoise; Rose, Eric; Gérard, Hélène; Herson, Patrick","Unprecedented (η5-Formylcyclohexadienyl)Mn(CO)3Complexes: Synthesis, Structural and Theoretical Characterizations, and Resolution of the Planar Chirality","Organometallics","2008","27","11","2505","","10.1021/om7012666","","","0.71073","MoKα","","0.0543","0.0303","","0.048","0.0321","0.0321","","","","","","1.0998","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071116","9.8482","0.0003","14.5816","0.0004","15.6829","0.0005","90","","90","","90","","2252.1","0.12","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Li Ni O2 -","- C25 H33 Li Ni O2 -","- C100 H132 Li4 Ni4 O8 -","4","1","","Buchalski, Piotr; Grabowska, Ilona; Kamińska, Elżbieta; Suwińska, Kinga","Synthesis and Structures of 9-Nickelafluorenyllithium Complexes","Organometallics","2008","27","10","2346","","10.1021/om701275u","","","0.71073","MoKα","","0.0604","0.0428","","","0.0727","0.0763","","","","","","1.028","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071117","31.21","0.03","11.851","0.007","17.44","0.02","90","","98.85","0.03","90","","6374","10","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Pw16","","","- C31 H48 Li Ni O7 -","- C31 H48 Li Ni O7 -","- C248 H384 Li8 Ni8 O56 -","8","2","","Buchalski, Piotr; Grabowska, Ilona; Kamińska, Elżbieta; Suwińska, Kinga","Synthesis and Structures of 9-Nickelafluorenyllithium Complexes","Organometallics","2008","27","10","2346","","10.1021/om701275u","","","0.71073","MoKα","","0.1719","0.0618","","","0.1328","0.1746","","","","","","0.935","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071118","16.5651","0.0005","14.5732","0.0005","17.3587","0.0003","90","0.002","116.77","0.002","90","0.001","3741.37","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PW19","","","- C21 H23 Li Ni O2 -","- C21 H23 Li Ni O2 -","- C168 H184 Li8 Ni8 O16 -","8","2","","Buchalski, Piotr; Grabowska, Ilona; Kamińska, Elżbieta; Suwińska, Kinga","Synthesis and Structures of 9-Nickelafluorenyllithium Complexes","Organometallics","2008","27","10","2346","","10.1021/om701275u","","","0.71073","MoKα","","0.0843","0.0415","","","0.094","0.1029","","","","","","0.986","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071119","9.4642","0.0002","16.1506","0.0005","14.466","0.0004","90","","106.127","0.0014","90","","2124.15","0.1","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Rh(S(O)NN)(CO)][PF6]","[Rh(S(O)NN)(CO)][PF6] 4","","- C16 H26 F6 N2 O2 P Rh S -","- C16 H26 F6 N2 O2 P Rh S -","- C64 H104 F24 N8 O8 P4 Rh4 S4 -","4","1","","Schaub, Thomas; Radius, Udo; Diskin-Posner, Yael; Leitus, Gregory; Shimon, Linda J. W.; Milstein, David","Pyridine-Based Sulfoxide Pincer Complexes of Rhodium and Iridium","Organometallics","2008","27","8","1892","","10.1021/om701276s","","","0.71073","MoKα","","0.0514","0.0354","","","0.0835","0.0894","","","","","","1.091","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071120","10.722","0.002","16.832","0.003","11.867","0.002","90","","91.74","0.03","90","","2140.7","0.7","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","[Ir(S(O)NN)(CO)][BF4]","[Ir(S(O)NN)(CO)][BF4] 6","","- C17 H29 B F4 Ir N3 O S -","- C17 H29 B F4 Ir N3 O S -","- C68 H116 B4 F16 Ir4 N12 O4 S4 -","4","1","","Schaub, Thomas; Radius, Udo; Diskin-Posner, Yael; Leitus, Gregory; Shimon, Linda J. W.; Milstein, David","Pyridine-Based Sulfoxide Pincer Complexes of Rhodium and Iridium","Organometallics","2008","27","8","1892","","10.1021/om701276s","","","0.71073","MoKα","","0.0564","0.0385","","","0.0959","0.1023","","","","","","1.005","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071121","10.2627","0.0001","10.8734","0.0002","15.8663","0.0003","89.5308","0.0008","85.4696","0.001","88.7646","0.001","1764.55","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","[Rh(S(O)NN*)(CO]","[Rh(S(O)NN*)(CO)] 8","","- C16 H25 N2 O2 Rh S -","- C16 H25 N2 O2 Rh S -","- C64 H100 N8 O8 Rh4 S4 -","4","2","","Schaub, Thomas; Radius, Udo; Diskin-Posner, Yael; Leitus, Gregory; Shimon, Linda J. W.; Milstein, David","Pyridine-Based Sulfoxide Pincer Complexes of Rhodium and Iridium","Organometallics","2008","27","8","1892","","10.1021/om701276s","","","0.71073","MoKα","","0.0605","0.039","","","0.0919","0.1007","","","","","","1.027","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071122","10.2477","0.0002","10.89","0.0002","15.8653","0.0003","89.3335","0.0011","85.4925","0.0009","88.7271","0.0012","1764.53","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Ir-S(O)NN*CO","Ir-S(O)NN*CO 9","","- C16 H25 Ir N2 O2 S -","- C16 H25 Ir N2 O2 S -","- C64 H100 Ir4 N8 O8 S4 -","4","2","","Schaub, Thomas; Radius, Udo; Diskin-Posner, Yael; Leitus, Gregory; Shimon, Linda J. W.; Milstein, David","Pyridine-Based Sulfoxide Pincer Complexes of Rhodium and Iridium","Organometallics","2008","27","8","1892","","10.1021/om701276s","","","0.71073","MoKα","","0.0577","0.0398","","","0.0933","0.1018","","","","","","1","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071123","28.4731","0.0006","17.1844","0.0003","21.2981","0.0005","90","","104.676","0.001","90","","10081","0.4","293","2","293","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H47 Br Fe P2 -","- C52 H47 Br Fe P2 -","- C416 H376 Br8 Fe8 P16 -","8","1","","Montigny, Frédéric de; Argouarch, Gilles; Roisnel, Thierry; Toupet, Loic; Lapinte, Claude; Lam, Sally Chan-Fung; Tao, Chi-Hang; Yam, Vivian Wing-Wah","Syntheses, Structures, and Properties of Some Piano-Stool Iron Acetylides Bearing a Functional Anthracenyl Group","Organometallics","2008","27","8","1912","","10.1021/om701278e","","x-ray","0.71073","MoKα","","0.1283","0.0835","","","0.2452","0.2826","","","","","","1.088","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071124","17.499","0.0002","15.7403","0.0002","17.3715","0.0002","90","","90","","90","","4784.8","0.1","120","1","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C55 H51 Cl4 Fe N P2 -","- C55 H51 Cl4 Fe N P2 -","- C220 H204 Cl16 Fe4 N4 P8 -","4","1","","Montigny, Frédéric de; Argouarch, Gilles; Roisnel, Thierry; Toupet, Loic; Lapinte, Claude; Lam, Sally Chan-Fung; Tao, Chi-Hang; Yam, Vivian Wing-Wah","Syntheses, Structures, and Properties of Some Piano-Stool Iron Acetylides Bearing a Functional Anthracenyl Group","Organometallics","2008","27","8","1912","","10.1021/om701278e","","","0.71069","MoKα","","0.0347","0.0329","","","0.0889","0.0915","","","","","","1.044","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071125","13.963","0.0009","17.8162","0.0012","20.8505","0.0017","78.586","0.003","73.714","0.003","82.375","0.002","4863.9","0.6","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C53.5 H48 Cl F6 Fe N P3 -","- C53.5 H48 Cl F6 Fe N P3 -","- C214 H192 Cl4 F24 Fe4 N4 P12 -","4","2","","Montigny, Frédéric de; Argouarch, Gilles; Roisnel, Thierry; Toupet, Loic; Lapinte, Claude; Lam, Sally Chan-Fung; Tao, Chi-Hang; Yam, Vivian Wing-Wah","Syntheses, Structures, and Properties of Some Piano-Stool Iron Acetylides Bearing a Functional Anthracenyl Group","Organometallics","2008","27","8","1912","","10.1021/om701278e","","x-ray","0.71073","MoKα","","0.2109","0.0922","","","0.2285","0.3183","","","","","","1.017","","","","has coordinates,has disorder","304654","2026-02-27","09:09:29",""
"4071126","12.113","0.002","24.413","0.004","16.942","0.003","90","","108.092","0.005","90","","4762.3","1.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H47 Fe N5 P2 -","- C59 H47 Fe N5 P2 -","- C236 H188 Fe4 N20 P8 -","4","1","","Montigny, Frédéric de; Argouarch, Gilles; Roisnel, Thierry; Toupet, Loic; Lapinte, Claude; Lam, Sally Chan-Fung; Tao, Chi-Hang; Yam, Vivian Wing-Wah","Syntheses, Structures, and Properties of Some Piano-Stool Iron Acetylides Bearing a Functional Anthracenyl Group","Organometallics","2008","27","8","1912","","10.1021/om701278e","","x-ray","0.71073","MoKα","","0.0385","0.0323","","","0.0901","0.0932","","","","","","1.057","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071127","12.2278","0.0002","24.5711","0.0004","17.097","0.0002","90","","107.508","0.001","90","","4898.84","0.13","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C59 H47 Fe N5 P2 -","- C59 H47 Fe N5 P2 -","- C236 H188 Fe4 N20 P8 -","4","1","","Montigny, Frédéric de; Argouarch, Gilles; Roisnel, Thierry; Toupet, Loic; Lapinte, Claude; Lam, Sally Chan-Fung; Tao, Chi-Hang; Yam, Vivian Wing-Wah","Syntheses, Structures, and Properties of Some Piano-Stool Iron Acetylides Bearing a Functional Anthracenyl Group","Organometallics","2008","27","8","1912","","10.1021/om701278e","","x-ray","0.71073","MoKα","","0.0979","0.0516","","","0.1258","0.1476","","","","","","1.035","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071128","14.979","0.005","16.927","0.005","19.189","0.005","90","0.005","101.118","0.005","90","0.005","4774","2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H49 Fe N3 P2 -","- C59 H49 Fe N3 P2 -","- C236 H196 Fe4 N12 P8 -","4","1","","Montigny, Frédéric de; Argouarch, Gilles; Roisnel, Thierry; Toupet, Loic; Lapinte, Claude; Lam, Sally Chan-Fung; Tao, Chi-Hang; Yam, Vivian Wing-Wah","Syntheses, Structures, and Properties of Some Piano-Stool Iron Acetylides Bearing a Functional Anthracenyl Group","Organometallics","2008","27","8","1912","","10.1021/om701278e","","x-ray","0.71069","MoKα","","0.0557","0.0382","","","0.0985","0.1115","","","","","","1.031","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071129","18.2723","0.0002","11.9096","0.0002","18.6349","0.0003","90","","90.3209","0.0009","90","","4055.18","0.1","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","DSiT-dimer","2,2',3,3',6,6',7,7',14,14',15,15'-Dodeca(isopropoxy)- 10,10'-bis(trimethylsilyl)-,9,9'-bi-9,10-disilatriptycyl'","","- C78 H114 O12 Si6 -","- C78 H114 O12 Si6 -","- C156 H228 O24 Si12 -","2","0.5","","Sase, Shohei; Cho, Yoen-Seok; Kawachi, Atsushi; Wakamiya, Atsushi; Yamaguchi, Shigehiro; Tsuji, Hayato; Tamao, Kohei","Synthesis and Electronic Spectra of Disilatriptycene Oligomers: Evidence for Electronic Delocalization along the One-Dimensional Arrangement of Bridge-Head Disilanes","Organometallics","2008","27","21","5441","","10.1021/om701283e","","","0.71069","MoKα","","0.0591","0.0466","","","0.1174","0.1268","","","","","","1.029","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071130","9.695","0.003","9.826","0.002","14.461","0.005","75.281","0.012","82.659","0.013","61.139","0.01","1166.9","0.6","113.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H44 P Pt Si -","- C22 H44 P Pt Si -","- C44 H88 P2 Pt2 Si2 -","2","1","","Tanabe, Makoto; Ito, Daisuke; Osakada, Kohtaro","Ligand Exchange of Diplatinum Complexes with Bridging Silyl Ligands Involving Si−H Bond Cleavage and Formation","Organometallics","2008","27","10","2258","","10.1021/om7012869","","","0.7107","MoKα","","","0.039","","","","0.1005","","","","","","0.998","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071131","9.427","0.003","13.635","0.004","13.746","0.004","113.132","0.004","90.197","0.003","105.053","0.003","1558","0.8","113.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H60 P Pt Si -","- C30 H53 P Pt Si -","- C60 H106 P2 Pt2 Si2 -","2","1","","Tanabe, Makoto; Ito, Daisuke; Osakada, Kohtaro","Ligand Exchange of Diplatinum Complexes with Bridging Silyl Ligands Involving Si−H Bond Cleavage and Formation","Organometallics","2008","27","10","2258","","10.1021/om7012869","","","0.7107","MoKα","","","0.0612","","","","0.1364","","","","","","1.061","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071132","10.053","0.002","18.213","0.004","13.751","0.003","90","","91.15","0.003","90","","2517.2","0.9","113.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H42 P Pt Si -","- C25 H42 P Pt Si -","- C100 H168 P4 Pt4 Si4 -","4","1","","Tanabe, Makoto; Ito, Daisuke; Osakada, Kohtaro","Ligand Exchange of Diplatinum Complexes with Bridging Silyl Ligands Involving Si−H Bond Cleavage and Formation","Organometallics","2008","27","10","2258","","10.1021/om7012869","","","0.7107","MoKα","","","0.0603","","","","0.1554","","","","","","0.958","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071133","10.218","0.003","13.957","0.004","20.078","0.006","90","","93.089","0.004","90","","2859.2","1.5","113.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H44 P Pt Si -","- C30 H44 P Pt Si -","- C120 H176 P4 Pt4 Si4 -","4","1","","Tanabe, Makoto; Ito, Daisuke; Osakada, Kohtaro","Ligand Exchange of Diplatinum Complexes with Bridging Silyl Ligands Involving Si−H Bond Cleavage and Formation","Organometallics","2008","27","10","2258","","10.1021/om7012869","","","0.7107","MoKα","","","0.0521","","","","0.123","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071134","9.183","0.002","11.193","0.003","11.32","0.003","102.781","0.002","112.877","0.003","104.322","0.0005","970.8","0.4","113.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H26 P2 Pt Si -","- C18 H26 P2 Pt Si -","- C36 H52 P4 Pt2 Si2 -","2","1","","Tanabe, Makoto; Ito, Daisuke; Osakada, Kohtaro","Ligand Exchange of Diplatinum Complexes with Bridging Silyl Ligands Involving Si−H Bond Cleavage and Formation","Organometallics","2008","27","10","2258","","10.1021/om7012869","","","0.7107","MoKα","","","0.0223","","","","0.0553","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071135","12.388","0.002","13.734","0.002","20.297","0.003","85.119","0.004","86.097","0.004","89.294","0.004","3432.7","0.9","113.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C80 H76 O P4 Pt2 Si2 -","- C80 H76 O P4 Pt2 Si2 -","- C160 H152 O2 P8 Pt4 Si4 -","2","1","","Tanabe, Makoto; Ito, Daisuke; Osakada, Kohtaro","Ligand Exchange of Diplatinum Complexes with Bridging Silyl Ligands Involving Si−H Bond Cleavage and Formation","Organometallics","2008","27","10","2258","","10.1021/om7012869","","","0.7107","MoKα","","","0.036","","","","0.0757","","","","","","1.019","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071136","13.271","0.003","6.9263","0.0016","15.256","0.004","90","","90","","90","","1402.3","0.6","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H20 Mo S2 -","- C14 H20 Mo S2 -","- C56 H80 Mo4 S8 -","4","0.5","","Kuo, Louis Y.; Adint, Tyler T.; Akagi, Allison E.; Zakharov, Lev","Degradation of a VX Analogue: First Organometallic Reagent To Promote Phosphonothioate Hydrolysis Through Selective P−S Bond Scission","Organometallics","2008","27","11","2560","","10.1021/om7012887","","","0.71073","MoKα","","0.0536","0.0318","","","0.0595","0.0696","","","","","","1.015","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071137","9.325","0.0002","15.1222","0.0003","20.0419","0.0004","90","","90","","90","","2826.2","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H17 Fe4 N O9 Te2 -","- C24 H17 Fe4 N O9 Te2 -","- C96 H68 Fe16 N4 O36 Te8 -","4","1","","Mathur, Pradeep; Singh, Amrendra K.; Mohanty, Jamini R.; Chatterjee, Saurav; Mobin, Shaikh M.","Formation of N-Methylated Cyclic Ligand Systems from Unusual Reactions between TrimethylamineN-Oxide and Acetylenes on Fe3Te2(CO)9and Contrast with Reactions on Fe3E2(CO)9(E = S, Se)","Organometallics","2008","27","19","5094","","10.1021/om701290c","","","0.71073","MoKα","","0.0176","0.0162","","","0.037","0.0381","","","","","","1.09","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071138","9.8877","0.0002","13.3922","0.0003","22.1362","0.0005","90","","91.621","0.002","90","","2930.06","0.11","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 Cl2 Fe3 N2 O8 Te2 -","- C22 H20 Cl2 Fe3 N2 O8 Te2 -","- C88 H80 Cl8 Fe12 N8 O32 Te8 -","4","1","","Mathur, Pradeep; Singh, Amrendra K.; Mohanty, Jamini R.; Chatterjee, Saurav; Mobin, Shaikh M.","Formation of N-Methylated Cyclic Ligand Systems from Unusual Reactions between TrimethylamineN-Oxide and Acetylenes on Fe3Te2(CO)9and Contrast with Reactions on Fe3E2(CO)9(E = S, Se)","Organometallics","2008","27","19","5094","","10.1021/om701290c","","","0.71073","MoKα","","0.0479","0.0402","","","0.1041","0.1108","","","","","","1.113","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071139","13.6715","0.0012","7.1808","0.0005","24.949","0.002","90","","94.762","0.007","90","","2440.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H10 Fe4 O9 S2 -","- C21 H10 Fe4 O9 S2 -","- C84 H40 Fe16 O36 S8 -","4","1","","Mathur, Pradeep; Singh, Amrendra K.; Mohanty, Jamini R.; Chatterjee, Saurav; Mobin, Shaikh M.","Formation of N-Methylated Cyclic Ligand Systems from Unusual Reactions between TrimethylamineN-Oxide and Acetylenes on Fe3Te2(CO)9and Contrast with Reactions on Fe3E2(CO)9(E = S, Se)","Organometallics","2008","27","19","5094","","10.1021/om701290c","","","0.71073","MoKα","","0.1422","0.0769","","","0.1514","0.177","","","","","","1.095","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071140","10.1722","0.0008","12.7137","0.0008","25.4348","0.0016","90","","101.025","0.006","90","","3228.7","0.4","150","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H20 Fe5 O9 S2 -","- C33 H20 Fe5 O9 S2 -","- C132 H80 Fe20 O36 S8 -","4","1","","Mathur, Pradeep; Singh, Amrendra K.; Mohanty, Jamini R.; Chatterjee, Saurav; Mobin, Shaikh M.","Formation of N-Methylated Cyclic Ligand Systems from Unusual Reactions between TrimethylamineN-Oxide and Acetylenes on Fe3Te2(CO)9and Contrast with Reactions on Fe3E2(CO)9(E = S, Se)","Organometallics","2008","27","19","5094","","10.1021/om701290c","","","0.71073","MoKα","","0.0969","0.0625","","","0.151","0.1636","","","","","","0.999","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071141","8.4309","0.0003","12.8265","0.0005","13.2757","0.0006","71","0.002","74.009","0.002","89.143","0.002","1300.46","0.09","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H33 N P2 -","- C30 H33 N P2 -","- C60 H66 N2 P4 -","2","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lee, Pei-Ying","Phosphorus and Olefin Substituent Effects on the Insertion Chemistry of Nickel(II) Hydride Complexes Containing Amido Diphosphine Ligands","Organometallics","2008","27","13","3082","","10.1021/om701294a","","","0.71073","MoKα","","0.1535","0.0737","","","0.1704","0.2377","","","","","","1.008","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071142","9.051","0.0002","16.515","0.0004","16.53","0.0005","90","","98.475","0.001","90","","2443.88","0.11","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H37 N Ni P2 -","- C24 H37 N Ni P2 -","- C96 H148 N4 Ni4 P8 -","4","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lee, Pei-Ying","Phosphorus and Olefin Substituent Effects on the Insertion Chemistry of Nickel(II) Hydride Complexes Containing Amido Diphosphine Ligands","Organometallics","2008","27","13","3082","","10.1021/om701294a","","","0.71073","MoKα","","0.0734","0.0427","","","0.0842","0.1039","","","","","","1.053","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071143","14.247","0.0004","16.2118","0.0004","18.4856","0.0006","104.536","0.001","99.274","0.001","106.409","0.002","3838.8","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H53 N Ni P2 -","- C36 H53 N Ni P2 -","- C144 H212 N4 Ni4 P8 -","4","2","","Liang, Lan-Chang; Chien, Pin-Shu; Lee, Pei-Ying","Phosphorus and Olefin Substituent Effects on the Insertion Chemistry of Nickel(II) Hydride Complexes Containing Amido Diphosphine Ligands","Organometallics","2008","27","13","3082","","10.1021/om701294a","","","0.71073","MoKα","","0.1305","0.0814","","","0.2152","0.2467","","","","","","0.85","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071144","17.922","0.0003","8.081","0.0005","20.62","0.0007","90","0.002","113.842","0.001","90","0.001","2731.5","0.2","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H33 N Ni P2 -","- C30 H33 N Ni P2 -","- C120 H132 N4 Ni4 P8 -","4","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lee, Pei-Ying","Phosphorus and Olefin Substituent Effects on the Insertion Chemistry of Nickel(II) Hydride Complexes Containing Amido Diphosphine Ligands","Organometallics","2008","27","13","3082","","10.1021/om701294a","","","0.71073","MoKα","","0.0626","0.0415","","","0.096","0.1119","","","","","","1.12","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071145","10.852","0.0002","12.986","0.0002","15.941","0.0004","108.973","0.001","95.631","0.001","105.171","0.001","2008.66","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H51 N Ni O P2 -","- C48 H51 N Ni O P2 -","- C96 H102 N2 Ni2 O2 P4 -","2","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lee, Pei-Ying","Phosphorus and Olefin Substituent Effects on the Insertion Chemistry of Nickel(II) Hydride Complexes Containing Amido Diphosphine Ligands","Organometallics","2008","27","13","3082","","10.1021/om701294a","","","0.71073","MoKα","","0.0813","0.0526","","","0.1245","0.1452","","","","","","1.083","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071146","11.0619","0.0005","16.1684","0.0006","19.5852","0.0009","111.56","0.002","90.008","0.002","91.929","0.002","3255.7","0.2","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H45 N Ni P2 -","- C36 H45 N Ni P2 -","- C144 H180 N4 Ni4 P8 -","4","2","","Liang, Lan-Chang; Chien, Pin-Shu; Lee, Pei-Ying","Phosphorus and Olefin Substituent Effects on the Insertion Chemistry of Nickel(II) Hydride Complexes Containing Amido Diphosphine Ligands","Organometallics","2008","27","13","3082","","10.1021/om701294a","","","0.71073","MoKα","","0.1909","0.1013","","","0.2229","0.2833","","","","","","1.109","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071147","11.1581","0.0002","13.0512","0.0003","13.3333","0.0003","78.43","0.001","81.972","0.001","83.135","0.001","1875.19","0.07","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H49 N Ni P2 -","- C43 H49 N Ni P2 -","- C86 H98 N2 Ni2 P4 -","2","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lee, Pei-Ying","Phosphorus and Olefin Substituent Effects on the Insertion Chemistry of Nickel(II) Hydride Complexes Containing Amido Diphosphine Ligands","Organometallics","2008","27","13","3082","","10.1021/om701294a","","","0.71073","MoKα","","0.072","0.0502","","","0.1267","0.1538","","","","","","1.138","","","","has coordinates,has disorder","178600","2020-10-21","18:00:00",""
"4071148","10.827","0.005","16.74","0.009","36.494","0.017","90","","90","","90","","6614","6","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C38 H41 N Ni P2 -","- C38 H41 N Ni P2 -","- C304 H328 N8 Ni8 P16 -","8","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lee, Pei-Ying","Phosphorus and Olefin Substituent Effects on the Insertion Chemistry of Nickel(II) Hydride Complexes Containing Amido Diphosphine Ligands","Organometallics","2008","27","13","3082","","10.1021/om701294a","","","0.71073","MoKα","","0.3177","0.079","","","0.1269","0.1995","","","","","","0.959","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071149","9.488","0.0005","10.33","0.0004","13.083","0.0006","101.576","0.002","109.73","0.002","103.089","0.002","1120.65","0.09","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H21 O6 P W -","- C22 H21 O6 P W -","- C44 H42 O12 P2 W2 -","2","1","","Bode, Maren; Schnakenburg, Gregor; Jones, Peter G.; Streubel, Rainer","Synthesis of Novel O,P,C-Cage Complexes via Thermal C−O Ring Opening of an Oxaphosphirane W(CO)5Complex","Organometallics","2008","27","11","2664","","10.1021/om7012953","","","0.71073","","","0.0296","0.0256","","","0.0596","0.0609","","","","","","1.044","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071150","10.4536","0.0002","15.8144","0.0004","14.87","0.0004","90","","99.6078","0.0015","90","","2423.79","0.1","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 O7 P W -","- C24 H25 O7 P W -","- C96 H100 O28 P4 W4 -","4","1","","Bode, Maren; Schnakenburg, Gregor; Jones, Peter G.; Streubel, Rainer","Synthesis of Novel O,P,C-Cage Complexes via Thermal C−O Ring Opening of an Oxaphosphirane W(CO)5Complex","Organometallics","2008","27","11","2664","","10.1021/om7012953","","","0.71073","","","0.0337","0.0224","","","0.0419","0.0438","","","","","","0.963","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071151","8.8233","0.0008","10.726","0.001","15.0798","0.0014","92.218","0.004","105.029","0.004","93.583","0.004","1373.4","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27 O7 P W -","- C29 H27 O7 P W -","- C58 H54 O14 P2 W2 -","2","1","","Bode, Maren; Schnakenburg, Gregor; Jones, Peter G.; Streubel, Rainer","Synthesis of Novel O,P,C-Cage Complexes via Thermal C−O Ring Opening of an Oxaphosphirane W(CO)5Complex","Organometallics","2008","27","11","2664","","10.1021/om7012953","","","0.71073","MoKα","","0.0169","0.0152","","","0.0369","0.0375","","","","","","1.035","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071152","18.8941","0.0017","8.8776","0.0008","11.9195","0.0011","90","","90","","90","","1999.3","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H18 Br N2 Ni P -","- C23 H18 Br N2 Ni P -","- C92 H72 Br4 N8 Ni4 P4 -","4","1","","Han, Fu-Bin; Zhang, Yu-Liang; Sun, Xiu-Li; Li, Bao-Guo; Guo, Yang-Hui; Tang, Yong","Synthesis and Characterization of Pyrrole-imine [N−NP] Nickel(II) and Palladium(II) Complexes and Their Applications to Norbornene Polymerization","Organometallics","2008","27","8","1924","","10.1021/om701297k","","","0.71073","MoKα","","0.0886","0.0777","","","0.2321","0.2415","","","","","","1.069","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071153","18.787","0.0018","8.8927","0.0009","11.8928","0.0012","90","","90","","90","","1986.9","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H18 Cl N2 Ni P -","- C23 H18 Cl N2 Ni P -","- C92 H72 Cl4 N8 Ni4 P4 -","4","1","","Han, Fu-Bin; Zhang, Yu-Liang; Sun, Xiu-Li; Li, Bao-Guo; Guo, Yang-Hui; Tang, Yong","Synthesis and Characterization of Pyrrole-imine [N−NP] Nickel(II) and Palladium(II) Complexes and Their Applications to Norbornene Polymerization","Organometallics","2008","27","8","1924","","10.1021/om701297k","","","0.71073","MoKα","","0.11","0.0507","","","0.074","0.0826","","","","","","0.899","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071154","18.8885","0.0013","8.9493","0.0007","11.9998","0.0009","90","","90","","90","","2028.4","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C23 H18 Cl N2 P Pd -","- C23 H18 Cl N2 P Pd -","- C92 H72 Cl4 N8 P4 Pd4 -","4","1","","Han, Fu-Bin; Zhang, Yu-Liang; Sun, Xiu-Li; Li, Bao-Guo; Guo, Yang-Hui; Tang, Yong","Synthesis and Characterization of Pyrrole-imine [N−NP] Nickel(II) and Palladium(II) Complexes and Their Applications to Norbornene Polymerization","Organometallics","2008","27","8","1924","","10.1021/om701297k","","","0.71073","MoKα","","0.0555","0.0362","","","0.0496","0.0527","","","","","","0.773","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071155","9.381","0.006","10.605","0.007","19.553","0.012","76.759","0.011","88.739","0.01","83.266","0.01","1880","2","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H48 N2 Ni O2 P S -","- C46 H48 N2 Ni O2 P S -","- C92 H96 N4 Ni2 O4 P2 S2 -","2","1","","Li, Jianfeng; Tian, Dawei; Song, Haibin; Wang, Chunhua; Zhu, Xiaoqing; Cui, Chunming; Cheng, Jin-Pei","Synthesis, Structures, and Reactivity of Nickel Complexes Incorporating Sulfonamido-Imine Ligands","Organometallics","2008","27","7","1605","","10.1021/om800001w","","","0.71073","MoKα","","0.1271","0.0864","","","0.2186","0.2597","","","","","","1.028","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071156","8.277","0.004","9.648","0.005","20.574","0.011","77.699","0.011","81.838","0.018","77.803","0.015","1560.9","1.4","113","2","113","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H41 Br N2 Ni O3 S -","- C32 H41 Br N2 Ni O3 S -","- C64 H82 Br2 N4 Ni2 O6 S2 -","2","1","","Li, Jianfeng; Tian, Dawei; Song, Haibin; Wang, Chunhua; Zhu, Xiaoqing; Cui, Chunming; Cheng, Jin-Pei","Synthesis, Structures, and Reactivity of Nickel Complexes Incorporating Sulfonamido-Imine Ligands","Organometallics","2008","27","7","1605","","10.1021/om800001w","","","0.7107","MoKα","","0.068","0.0458","","","0.0994","0.1089","","","","","","0.873","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071157","51.72","0.02","14.234","0.006","11.046","0.005","90","","101.719","0.005","90","","7962","6","113","2","113","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H50 Cl N3 Ni O2 S -","- C43.5 H50 Cl N3 Ni O2 S -","- C348 H400 Cl8 N24 Ni8 O16 S8 -","8","1","","Li, Jianfeng; Tian, Dawei; Song, Haibin; Wang, Chunhua; Zhu, Xiaoqing; Cui, Chunming; Cheng, Jin-Pei","Synthesis, Structures, and Reactivity of Nickel Complexes Incorporating Sulfonamido-Imine Ligands","Organometallics","2008","27","7","1605","","10.1021/om800001w","","","0.7107","MoKα","","0.0759","0.065","","","0.1367","0.1426","","","","","","1.136","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071158","12.732","0.0007","15.4904","0.0006","36.9865","0.0018","90","","98.778","0.002","90","","7209.2","0.6","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C76 H106 N4 Ni O10 S2 -","- C76 H58 N4 Ni O10 S2 -","- C304 H232 N16 Ni4 O40 S8 -","4","1","","Li, Jianfeng; Tian, Dawei; Song, Haibin; Wang, Chunhua; Zhu, Xiaoqing; Cui, Chunming; Cheng, Jin-Pei","Synthesis, Structures, and Reactivity of Nickel Complexes Incorporating Sulfonamido-Imine Ligands","Organometallics","2008","27","7","1605","","10.1021/om800001w","","","0.7107","MoKα","","0.1015","0.0877","","","0.2368","0.2487","","","","","","1.063","","","","has coordinates,has disorder","178600","2020-10-21","18:00:00",""
"4071159","14.6947","0.0019","10.0558","0.0013","22.45","0.002","90","","104.286","0.006","90","","3214.8","0.7","113","2","113","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C66 H84 N6 Ni O12 S2 -","- C66 H84 N6 Ni O12 S2 -","- C132 H168 N12 Ni2 O24 S4 -","2","0.5","","Li, Jianfeng; Tian, Dawei; Song, Haibin; Wang, Chunhua; Zhu, Xiaoqing; Cui, Chunming; Cheng, Jin-Pei","Synthesis, Structures, and Reactivity of Nickel Complexes Incorporating Sulfonamido-Imine Ligands","Organometallics","2008","27","7","1605","","10.1021/om800001w","","","0.7107","MoKα","","0.068","0.0593","","","0.1295","0.1345","","","","","","1.111","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071160","6.9891","0.0008","15.683","0.002","19.816","0.003","90","","90","","90","","2172","0.5","133","","133","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 Cl2 Sn -","- C20 H34 Cl2 Sn -","- C80 H136 Cl8 Sn4 -","4","1","","Beckmann, Jens; Duthie, Andrew; Grassmann, Marian; Semisch, Annetta","Optically Active Organotin Compounds Derived from β-Pinene. The Quest for Chiral Polystannanes†","Organometallics","2008","27","7","1495","","10.1021/om8000026","","","0.71073","MoKα","","0.0734","0.0428","","","0.0833","0.1062","","","","","","1","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071161","19.346","0.005","11.282","0.003","30.018","0.007","90","","102.351","0.005","90","","6400","3","133","","133","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H34 Cl2 Sn -","- C20 H34 Cl2 Sn -","- C240 H408 Cl24 Sn12 -","12","6","","Beckmann, Jens; Duthie, Andrew; Grassmann, Marian; Semisch, Annetta","Optically Active Organotin Compounds Derived from β-Pinene. The Quest for Chiral Polystannanes†","Organometallics","2008","27","7","1495","","10.1021/om8000026","","","0.71073","MoKα","","0.0833","0.0508","","","0.1016","0.115","","","","","","1.014","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071162","5.8346","0.0004","18.133","0.0011","16.3959","0.001","90","","91.495","0.002","90","","1734.08","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H36 Br2 N4 Ni -","- C42 H36 Br2 N4 Ni -","- C84 H72 Br4 N8 Ni2 -","2","0.5","","Huynh, Han Vinh; Wong, Ling Rong; Ng, Pearly Shuyi","Anagostic Interactions and Catalytic Activities of Sterically Bulky Benzannulated N-Heterocyclic Carbene Complexes of Nickel(II)","Organometallics","2008","27","10","2231","","10.1021/om800004j","","","0.71073","MoKα","","0.0511","0.0408","","","0.1054","0.1108","","","","","","1.045","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071163","17.0371","0.0009","9.4576","0.0005","17.5727","0.0008","90","","90","","90","","2831.5","0.2","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H36 Br2 N4 Ni -","- C26 H36 Br2 N4 Ni -","- C104 H144 Br8 N16 Ni4 -","4","0.5","","Huynh, Han Vinh; Wong, Ling Rong; Ng, Pearly Shuyi","Anagostic Interactions and Catalytic Activities of Sterically Bulky Benzannulated N-Heterocyclic Carbene Complexes of Nickel(II)","Organometallics","2008","27","10","2231","","10.1021/om800004j","","","0.71073","MoKα","","0.0551","0.0353","","","0.0777","0.0839","","","","","","1.027","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071164","10.8585","0.0006","15.3435","0.0009","15.6337","0.0008","90","","90.693","0.002","90","","2604.5","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66 H52 Br2 N4 Ni -","- C66 H52 Br2 N4 Ni -","- C132 H104 Br4 N8 Ni2 -","2","0.5","","Huynh, Han Vinh; Wong, Ling Rong; Ng, Pearly Shuyi","Anagostic Interactions and Catalytic Activities of Sterically Bulky Benzannulated N-Heterocyclic Carbene Complexes of Nickel(II)","Organometallics","2008","27","10","2231","","10.1021/om800004j","","","0.71073","MoKα","","0.1073","0.06","","","0.1228","0.1394","","","","","","1.005","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071165","11.2799","0.0007","15.3817","0.001","18.4142","0.0012","90","","90","","90","","3194.9","0.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C30 H44 Br2 N4 Ni -","- C30 H44 Br2 N4 Ni -","- C120 H176 Br8 N16 Ni4 -","4","0.5","","Huynh, Han Vinh; Wong, Ling Rong; Ng, Pearly Shuyi","Anagostic Interactions and Catalytic Activities of Sterically Bulky Benzannulated N-Heterocyclic Carbene Complexes of Nickel(II)","Organometallics","2008","27","10","2231","","10.1021/om800004j","","","0.71073","MoKα","","0.0755","0.0441","","","0.1057","0.1178","","","","","","1.034","","","","has coordinates,has disorder","178600","2020-10-21","18:00:00",""
"4071166","10.993","0.007","10.787","0.007","13.442","0.009","90","","94.954","0.015","90","","1588","1.8","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H36 Br2 N4 Ni -","- C34 H36 Br2 N4 Ni -","- C68 H72 Br4 N8 Ni2 -","2","0.5","","Huynh, Han Vinh; Wong, Ling Rong; Ng, Pearly Shuyi","Anagostic Interactions and Catalytic Activities of Sterically Bulky Benzannulated N-Heterocyclic Carbene Complexes of Nickel(II)","Organometallics","2008","27","10","2231","","10.1021/om800004j","","","0.71073","MoKα","","0.0583","0.0395","","","0.09","0.0968","","","","","","1.033","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071167","10.5341","0.0005","17.8161","0.0008","14.2407","0.0007","90","","94.987","0.001","90","","2662.5","0.2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H58 Br2 N6 Ni O2 -","- C60 H58 Br2 N6 Ni O2 -","- C120 H116 Br4 N12 Ni2 O4 -","2","0.5","","Huynh, Han Vinh; Wong, Ling Rong; Ng, Pearly Shuyi","Anagostic Interactions and Catalytic Activities of Sterically Bulky Benzannulated N-Heterocyclic Carbene Complexes of Nickel(II)","Organometallics","2008","27","10","2231","","10.1021/om800004j","","","0.71073","MoKα","","0.088","0.0497","","","0.1144","0.1283","","","","","","0.993","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071168","16.337","0.004","9.571","0.003","18.747","0.009","90","","100.79","0.03","90","","2879.5","1.8","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 Cl N5 Pd -","- C34 H30 Cl N5 Pd -","- C136 H120 Cl4 N20 Pd4 -","4","0.5","","Wei, Wei; Qin, Yuancheng; Luo, Meiming; Xia, Pingfang; Wong, Man Shing","Synthesis, Structure, and Catalytic Activity of Palladium(II) Complexes of New CNC Pincer-Type N-Heterocyclic Carbene Ligands","Organometallics","2008","27","10","2268","","10.1021/om800007s","","","0.71073","MoKα","","0.0694","0.0356","","","0.0786","0.0871","","","","","","1.038","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071169","20.028","0.003","8.9373","0.0012","20.512","0.003","90","","106.195","0.003","90","","3525.9","0.9","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H57 I Si4 Sn -","- C28 H57 I Si4 Sn -","- C112 H228 I4 Si16 Sn4 -","4","1","","Kavara, Ajdin; Cousineau, Kandarpa D.; Rohr, Ahleah D.; Kampf, Jeff W.; Banaszak Holl, Mark M.","A Stannylene/Aryl Iodide Reagent for Allylic CH Activation and Double Bond Addition Chemistry","Organometallics","2008","27","6","1041","","10.1021/om8000108","","","0.71073","MoKα","","0.0768","0.0547","","","0.1282","0.1417","","","","","","1.197","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071170","11.554","0.005","38.173","0.017","8.728","0.004","90","","108.207","0.006","90","","3657","3","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H55 I Si4 Sn -","- C31 H55 I Si4 Sn -","- C124 H220 I4 Si16 Sn4 -","4","1","","Kavara, Ajdin; Cousineau, Kandarpa D.; Rohr, Ahleah D.; Kampf, Jeff W.; Banaszak Holl, Mark M.","A Stannylene/Aryl Iodide Reagent for Allylic CH Activation and Double Bond Addition Chemistry","Organometallics","2008","27","6","1041","","10.1021/om8000108","","","0.71073","MoKα","","0.0284","0.0276","","","0.0703","0.071","","","","","","1.014","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071171","9.0768","0.0007","17.5676","0.0013","19.1346","0.0014","90","","91.553","0.001","90","","3050","0.4","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H51 I Si4 Sn -","- C22 H51 I Si4 Sn -","- C88 H204 I4 Si16 Sn4 -","4","1","","Kavara, Ajdin; Cousineau, Kandarpa D.; Rohr, Ahleah D.; Kampf, Jeff W.; Banaszak Holl, Mark M.","A Stannylene/Aryl Iodide Reagent for Allylic CH Activation and Double Bond Addition Chemistry","Organometallics","2008","27","6","1041","","10.1021/om8000108","","","0.71073","MoKα","","0.0205","0.0196","","","0.0504","0.051","","","","","","1.092","","","","has coordinates,has disorder","178600","2020-10-21","18:00:00",""
"4071172","8.6851","0.0009","11.7882","0.0012","29.04","0.003","90","","92.076","0.002","90","","2971.2","0.5","85","2","85","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H49 Br Si4 Sn -","- C22 H49 Br Si4 Sn -","- C88 H196 Br4 Si16 Sn4 -","4","1","","Kavara, Ajdin; Cousineau, Kandarpa D.; Rohr, Ahleah D.; Kampf, Jeff W.; Banaszak Holl, Mark M.","A Stannylene/Aryl Iodide Reagent for Allylic CH Activation and Double Bond Addition Chemistry","Organometallics","2008","27","6","1041","","10.1021/om8000108","","","0.71073","MoKα","","0.0267","0.0259","","","0.0619","0.0644","","","","","","1.107","","","","has coordinates,has disorder","178600","2020-10-21","18:00:00",""
"4071173","8.8888","0.0008","9.563","0.0008","20.9269","0.0019","91.915","0.001","101.687","0.001","108.692","0.001","1640.8","0.3","85","2","85","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H53 I Si4 Sn -","- C27 H53 I Si4 Sn -","- C54 H106 I2 Si8 Sn2 -","2","1","","Kavara, Ajdin; Cousineau, Kandarpa D.; Rohr, Ahleah D.; Kampf, Jeff W.; Banaszak Holl, Mark M.","A Stannylene/Aryl Iodide Reagent for Allylic CH Activation and Double Bond Addition Chemistry","Organometallics","2008","27","6","1041","","10.1021/om8000108","","","0.71073","MoKα","","0.0248","0.0235","","","0.0541","0.0549","","","","","","1","","","","has coordinates,has disorder","178600","2020-10-21","18:00:00",""
"4071174","12.644","0.0013","14.132","0.0011","17.016","0.0015","73.49","0.005","86.09","0.005","83.673","0.005","2895.2","0.5","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H60 P2 Pt Si2 -","- C67 H60 P2 Pt Si2 -","- C134 H120 P4 Pt2 Si4 -","2","1","","Arii, Hidekazu; Takahashi, Makiko; Noda, Aki; Nanjo, Masato; Mochida, Kunio","Spectroscopic and Structural Studies of Thermally Unstable Intermediates Generated in the Reaction of [Pt(PPh3)2(η2-C2H4)] with Dihydrodisilanes","Organometallics","2008","27","8","1929","","10.1021/om800012s","","","0.71073","MoKα","","0.0825","0.0632","","","0.1671","0.1794","","","","","","1.168","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071175","11.142","0.0009","15.245","0.0005","21.524","0.0014","90","","91.594","0.003","90","","3654.6","0.4","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 P2 Pt Si2 -","- C40 H44 P2 Pt Si2 -","- C160 H176 P8 Pt4 Si8 -","4","1","","Arii, Hidekazu; Takahashi, Makiko; Noda, Aki; Nanjo, Masato; Mochida, Kunio","Spectroscopic and Structural Studies of Thermally Unstable Intermediates Generated in the Reaction of [Pt(PPh3)2(η2-C2H4)] with Dihydrodisilanes","Organometallics","2008","27","8","1929","","10.1021/om800012s","","","0.71073","MoKα","","0.0767","0.0503","","","0.1172","0.1306","","","","","","1.065","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071176","9.5937","0.0002","11.1677","0.0002","21.3492","0.0003","97.04","0.001","94.1","0.001","98.436","0.001","2236.19","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C55 H50 P2 Pt Si -","- C55 H50 P2 Pt Si -","- C110 H100 P4 Pt2 Si2 -","2","1","","Arii, Hidekazu; Takahashi, Makiko; Noda, Aki; Nanjo, Masato; Mochida, Kunio","Spectroscopic and Structural Studies of Thermally Unstable Intermediates Generated in the Reaction of [Pt(PPh3)2(η2-C2H4)] with Dihydrodisilanes","Organometallics","2008","27","8","1929","","10.1021/om800012s","","","0.71073","MoKα","","0.0634","0.0504","","","0.1127","0.1211","","","","","","1.051","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4071177","16.777","0.0007","21.215","0.0009","16.82","0.0005","90","","106.959","0.003","90","","5726.3","0.4","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65 H67 P3 Pt2 Si2 -","- C65 H67 P3 Pt2 Si2 -","- C260 H268 P12 Pt8 Si8 -","4","1","","Arii, Hidekazu; Takahashi, Makiko; Noda, Aki; Nanjo, Masato; Mochida, Kunio","Spectroscopic and Structural Studies of Thermally Unstable Intermediates Generated in the Reaction of [Pt(PPh3)2(η2-C2H4)] with Dihydrodisilanes","Organometallics","2008","27","8","1929","","10.1021/om800012s","","","0.71073","MoKα","","0.0478","0.0404","","","0.1117","0.1186","","","","","","1.025","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071178","8.837","0.0003","9.838","0.0006","13.333","0.0008","80.115","0.003","73.335","0.004","82.17","0.004","1089.32","0.1","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 P Pt Si -","- C20 H22 P Pt Si -","- C40 H44 P2 Pt2 Si2 -","2","1","","Arii, Hidekazu; Takahashi, Makiko; Noda, Aki; Nanjo, Masato; Mochida, Kunio","Spectroscopic and Structural Studies of Thermally Unstable Intermediates Generated in the Reaction of [Pt(PPh3)2(η2-C2H4)] with Dihydrodisilanes","Organometallics","2008","27","8","1929","","10.1021/om800012s","","","0.71073","MoKα","","0.0441","0.0438","","","0.1415","0.142","","","","","","1.018","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071179","8.7286","0.0017","12.243","0.002","13.855","0.003","103.63","0.03","100.11","0.03","105.71","0.03","1339.1","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H32 I2 N6 Rh2 -","- C22 H32 I2 N6 Rh2 -","- C44 H64 I4 N12 Rh4 -","2","1","","Poyatos, Macarena; McNamara, William; Incarvito, Chris; Clot, Eric; Peris, Eduardo; Crabtree, Robert H.","A Weak Donor, Planar Chelating Bitriazole N-Heterocyclic Carbene Ligand for Ruthenium(II), Palladium(II), and Rhodium","Organometallics","2008","27","9","2128","","10.1021/om800021c","","","0.71073","MoKα","","0.0438","0.0311","","","0.0715","0.0758","","","","","","1.014","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071180","9.4985","0.0019","8.0984","0.0016","27.008","0.005","90","","90.21","0.03","90","","2077.5","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 B0.2 F0.8 I1.8 N6 Ru -","- C16 H22 F0.8 I1.8 N6 Ru -","- C64 H88 F3.2 I7.2 N24 Ru4 -","4","1","","Poyatos, Macarena; McNamara, William; Incarvito, Chris; Clot, Eric; Peris, Eduardo; Crabtree, Robert H.","A Weak Donor, Planar Chelating Bitriazole N-Heterocyclic Carbene Ligand for Ruthenium(II), Palladium(II), and Rhodium","Organometallics","2008","27","9","2128","","10.1021/om800021c","","","0.71073","MoKα","","0.0604","0.044","","","0.1064","0.1187","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071181","23.418","0.005","15.392","0.003","18.792","0.004","90","","111.23","0.03","90","","6314","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 B Cl3 F4 N6 Ru2 -","- C26 H36 B Cl3 F4 N6 Ru2 -","- C208 H288 B8 Cl24 F32 N48 Ru16 -","8","1","","Poyatos, Macarena; McNamara, William; Incarvito, Chris; Clot, Eric; Peris, Eduardo; Crabtree, Robert H.","A Weak Donor, Planar Chelating Bitriazole N-Heterocyclic Carbene Ligand for Ruthenium(II), Palladium(II), and Rhodium","Organometallics","2008","27","9","2128","","10.1021/om800021c","","","0.71073","MoKα","","0.0904","0.0421","","","0.0775","0.088","","","","","","1.009","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071182","25.338","0.005","28.695","0.006","11.152","0.002","90","","90","","90","","8108","3","198","2","198","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C11 H15.5 B2 F8 N8.5 Pd -","- C11 H14 B2 F8 N8.5 Pd -","- C176 H224 B32 F128 N136 Pd16 -","16","1","","Poyatos, Macarena; McNamara, William; Incarvito, Chris; Clot, Eric; Peris, Eduardo; Crabtree, Robert H.","A Weak Donor, Planar Chelating Bitriazole N-Heterocyclic Carbene Ligand for Ruthenium(II), Palladium(II), and Rhodium","Organometallics","2008","27","9","2128","","10.1021/om800021c","","","0.71073","MoKα","","0.0573","0.0409","","","0.0914","0.0984","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071183","15.068","0.003","6.881","0.0014","7.0171","0.0014","90","","93.52","0.03","90","","726.2","0.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C6 H8 N6 -","- C6 H8 N6 -","- C24 H32 N24 -","4","0.5","","Poyatos, Macarena; McNamara, William; Incarvito, Chris; Clot, Eric; Peris, Eduardo; Crabtree, Robert H.","A Weak Donor, Planar Chelating Bitriazole N-Heterocyclic Carbene Ligand for Ruthenium(II), Palladium(II), and Rhodium","Organometallics","2008","27","9","2128","","10.1021/om800021c","","","0.71073","MoKα","","0.0802","0.0558","","","0.1534","0.1677","","","","","","1.057","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071184","10.3228","0.0006","12.5344","0.0006","22.0194","0.0011","83.698","0.002","77.671","0.002","68.189","0.002","2582.7","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C41 H55 Cl8 F6 N4 O P Ru -","- C41 H55 Cl8 F6 N4 O P Ru -","- C82 H110 Cl16 F12 N8 O2 P2 Ru2 -","2","1","","Clavier, Hervé; Nolan, Steven P.; Mauduit, Marc","Ionic Liquid Anchored “Boomerang” Catalysts Bearing Saturated and Unsaturated NHCs: Recyclability in Biphasic Media for Cross-Metathesis","Organometallics","2008","27","10","2287","","10.1021/om8000229","","","0.71073","MoKα","","0.0808","0.0698","","","0.2014","0.2127","","","","","","1.048","","","","has coordinates,has disorder","178600","2020-10-21","18:00:00",""
"4071185","23.998","0.002","10.1734","0.001","19.0161","0.0019","90","","95.455","0.002","90","","4621.6","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C40 H51 Cl6 F6 N4 O P Ru -","- C40 H51 Cl6 F6 N4 O P Ru -","- C160 H204 Cl24 F24 N16 O4 P4 Ru4 -","4","1","","Clavier, Hervé; Nolan, Steven P.; Mauduit, Marc","Ionic Liquid Anchored “Boomerang” Catalysts Bearing Saturated and Unsaturated NHCs: Recyclability in Biphasic Media for Cross-Metathesis","Organometallics","2008","27","10","2287","","10.1021/om8000229","","","0.71073","MoKα","","0.0782","0.0488","","","0.1245","0.1422","","","","","","1.037","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071186","8.7839","0.0003","13.3233","0.0004","14.1332","0.0005","90","","97.17","0.003","90","","1641.08","0.1","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 Br Os -","- C18 H27 Br Os -","- C72 H108 Br4 Os4 -","4","1","","Dub, Pavel A.; Belkova, Natalia V.; Lyssenko, Konstantin A.; Silantyev, Gleb A.; Epstein, Lina M.; Shubina, Elena S.; Daran, Jean-Claude; Poli, Rinaldo","Synthesis and Protonation Studies of Cp*Os(dppe)H: Kinetic versus Thermodynamic Control","Organometallics","2008","27","13","3307","","10.1021/om8000235","","","0.71073","MoKα","","0.0517","0.0413","","","0.1112","0.1239","","","","","","1.104","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071187","14.18","0.003","13.87","0.002","16.468","0.003","90","","90","","90","","3238.9","1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H27 Cl Os -","- C18 H27 Cl Os -","- C144 H216 Cl8 Os8 -","8","1","","Dub, Pavel A.; Belkova, Natalia V.; Lyssenko, Konstantin A.; Silantyev, Gleb A.; Epstein, Lina M.; Shubina, Elena S.; Daran, Jean-Claude; Poli, Rinaldo","Synthesis and Protonation Studies of Cp*Os(dppe)H: Kinetic versus Thermodynamic Control","Organometallics","2008","27","13","3307","","10.1021/om8000235","","","0.71073","MoKα","","0.0719","0.0415","","","0.096","0.1173","","","","","","0.997","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071188","15.584","0.003","15.643","0.003","12.747","0.003","90","","101.54","0.03","90","","3044.7","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 Os P2 -","- C36 H40 Os P2 -","- C144 H160 Os4 P8 -","4","1","","Dub, Pavel A.; Belkova, Natalia V.; Lyssenko, Konstantin A.; Silantyev, Gleb A.; Epstein, Lina M.; Shubina, Elena S.; Daran, Jean-Claude; Poli, Rinaldo","Synthesis and Protonation Studies of Cp*Os(dppe)H: Kinetic versus Thermodynamic Control","Organometallics","2008","27","13","3307","","10.1021/om8000235","","","0.71073","MoKα","","0.0386","0.0296","","","0.0697","0.0745","","","","","","1.023","","","","has coordinates,has disorder","178600","2020-10-21","18:00:00",""
"4071189","10.1616","0.0014","36.813","0.005","20.361","0.003","90","","92.918","0.002","90","","7606.7","1.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","N-(2,6-diisopropylphenyl)-2-(2,6-diisopropylphenylimino)butanamidato-k2N,O] (n1-CH2Ph)(PMe3)nickel","","- C38 H55 N2 Ni O P -","- C38 H55 N2 Ni O P -","- C304 H440 N16 Ni8 O8 P8 -","8","2","","Azoulay, Jason D.; Itigaki, Koji; Wu, Guang; Bazan, Guillermo C.","Influence of Steric and Electronic Perturbations on the Polymerization Activities of α-Iminocarboxamide Nickel Complexes","Organometallics","2008","27","10","2273","","10.1021/om8000263","","","0.71073","MoKα","","0.1153","0.0586","","","0.1296","0.1551","","","","","","0.897","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071190","10.2237","0.0016","21.053","0.003","18.063","0.003","90","","96.135","0.003","90","","3865.6","1","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[N-(2,6-diisopropylphenyl)-2-(2,6-diisopropylphenylimino)-4- methylpentanamidato-k2N,O](n1-CH2Ph)(PMe3)nickel","","- C40 H59 N2 Ni O P -","- C40 H59 N2 Ni O P -","- C160 H236 N8 Ni4 O4 P4 -","4","1","","Azoulay, Jason D.; Itigaki, Koji; Wu, Guang; Bazan, Guillermo C.","Influence of Steric and Electronic Perturbations on the Polymerization Activities of α-Iminocarboxamide Nickel Complexes","Organometallics","2008","27","10","2273","","10.1021/om8000263","","","0.71073","MoKα","","0.134","0.0548","","","0.1066","0.1277","","","","","","0.832","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071191","9.716","0.003","20.04","0.007","19.496","0.006","90","","100.578","0.005","90","","3732","2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[N-(2,6-diisopropylphenyl)-2-(2,6-diisopropylphenylimino)-3- methylbutanamidato-k2N,O](n1-CH2Ph)(PMe3)nickel.","","- C39 H57 N2 Ni O P -","- C39 H57 N2 Ni O P -","- C156 H228 N8 Ni4 O4 P4 -","4","1","","Azoulay, Jason D.; Itigaki, Koji; Wu, Guang; Bazan, Guillermo C.","Influence of Steric and Electronic Perturbations on the Polymerization Activities of α-Iminocarboxamide Nickel Complexes","Organometallics","2008","27","10","2273","","10.1021/om8000263","","","0.71073","MoKα","","0.081","0.0492","","","0.112","0.1194","","","","","","0.871","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071192","9.9429","0.0007","25.4501","0.0019","15.2227","0.0011","90","","93.662","0.002","90","","3844.2","0.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H55 N2 Ni O P -","- C42 H48 N2 Ni O P -","- C168 H192 N8 Ni4 O4 P4 -","4","1","","Azoulay, Jason D.; Itigaki, Koji; Wu, Guang; Bazan, Guillermo C.","Influence of Steric and Electronic Perturbations on the Polymerization Activities of α-Iminocarboxamide Nickel Complexes","Organometallics","2008","27","10","2273","","10.1021/om8000263","","","0.71073","MoKα","","0.1315","0.0682","","","0.1465","0.1573","","","","","","1.451","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071193","8.6509","0.0017","19.449","0.004","9.4379","0.0019","90","","116.13","0.03","90","","1425.6","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H34 I P Pd -","- C33 H34 I P Pd -","- C66 H68 I2 P2 Pd2 -","2","1","","Bai, Tao; Xue, Liqin; Xue, Peng; Zhu, Jun; Sung, Herman Ho-Yung; Ma, Shengming; Wiliams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Insertion Reactions of Allenes with Palladium Aryl Complexes [PdI(Ph)(PPh3)]2and PdI(Ph)(dppe)","Organometallics","2008","27","11","2614","","10.1021/om800030a","","","0.71073","MoKα","","0.0346","0.0243","","","0.0422","0.0441","","","","","","1.009","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071194","14.8326","0.0011","10.1125","0.0007","18.9106","0.0014","90","","95.575","0.001","90","","2823.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 I P Pd -","- C31 H32 I P Pd -","- C124 H128 I4 P4 Pd4 -","4","1","","Bai, Tao; Xue, Liqin; Xue, Peng; Zhu, Jun; Sung, Herman Ho-Yung; Ma, Shengming; Wiliams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Insertion Reactions of Allenes with Palladium Aryl Complexes [PdI(Ph)(PPh3)]2and PdI(Ph)(dppe)","Organometallics","2008","27","11","2614","","10.1021/om800030a","","","0.71073","MoKα","","0.0226","0.0197","","","0.0484","0.0494","","","","","","1.046","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071195","17.7153","0.0012","9.8948","0.0006","19.5425","0.0013","90","","115.745","0.001","90","","3085.6","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H33 I O3 P2 Pd -","- C31 H33 I O3 P2 Pd -","- C124 H132 I4 O12 P8 Pd4 -","4","1","","Bai, Tao; Xue, Liqin; Xue, Peng; Zhu, Jun; Sung, Herman Ho-Yung; Ma, Shengming; Wiliams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Insertion Reactions of Allenes with Palladium Aryl Complexes [PdI(Ph)(PPh3)]2and PdI(Ph)(dppe)","Organometallics","2008","27","11","2614","","10.1021/om800030a","","","0.71073","MoKα","","0.0518","0.044","","","0.1174","0.1254","","","","","","1.029","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071196","12.2084","0.0013","14.0521","0.0015","19.558","0.002","90","","105.207","0.002","90","","3237.8","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 I O3 P2 Pd -","- C32 H35 I O3 P2 Pd -","- C128 H140 I4 O12 P8 Pd4 -","4","1","","Bai, Tao; Xue, Liqin; Xue, Peng; Zhu, Jun; Sung, Herman Ho-Yung; Ma, Shengming; Wiliams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Insertion Reactions of Allenes with Palladium Aryl Complexes [PdI(Ph)(PPh3)]2and PdI(Ph)(dppe)","Organometallics","2008","27","11","2614","","10.1021/om800030a","","","0.71073","MoKα","","0.073","0.0492","","","0.1087","0.1173","","","","","","0.914","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071197","9.8674","0.0008","17.5903","0.0014","17.8699","0.0014","90","","98.806","0.001","90","","3065.1","0.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H28 I O2 P Pd S -","- C33 H28 I O2 P Pd S -","- C132 H112 I4 O8 P4 Pd4 S4 -","4","1","","Bai, Tao; Xue, Liqin; Xue, Peng; Zhu, Jun; Sung, Herman Ho-Yung; Ma, Shengming; Wiliams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Insertion Reactions of Allenes with Palladium Aryl Complexes [PdI(Ph)(PPh3)]2and PdI(Ph)(dppe)","Organometallics","2008","27","11","2614","","10.1021/om800030a","","","0.71073","MoKα","","0.077","0.0426","","","0.089","0.0989","","","","","","1.006","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071198","15.5188","0.0011","17.4313","0.0013","23.4898","0.0016","90","","91.454","0.002","90","","6352.2","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 I O2 P Pd S -","- C34 H30 I O2 P Pd S -","- C272 H240 I8 O16 P8 Pd8 S8 -","8","2","","Bai, Tao; Xue, Liqin; Xue, Peng; Zhu, Jun; Sung, Herman Ho-Yung; Ma, Shengming; Wiliams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Insertion Reactions of Allenes with Palladium Aryl Complexes [PdI(Ph)(PPh3)]2and PdI(Ph)(dppe)","Organometallics","2008","27","11","2614","","10.1021/om800030a","","","0.71073","MoKα","","0.1138","0.0436","","","0.0784","0.098","","","","","","1.001","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071199","12.9822","0.0008","17.637","0.0011","18.8875","0.0012","90","","90","","90","","4324.6","0.5","100","1","100","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C39 H70 N3 O Si2 Y -","- C39 H70 N3 O Si2 Y -","- C156 H280 N12 O4 Si8 Y4 -","4","1","","Ge, Shaozhong; Meetsma, Auke; Hessen, Bart","Highly Efficient Hydrosilylation of Alkenes by Organoyttrium Catalysts with Sterically Demanding Amidinate and Guanidinate Ligands","Organometallics","2008","27","13","3131","","10.1021/om800032g","","","0.71073","MoKα","","0.057","0.0399","","","0.0837","0.0906","","","","","","1.023","","","","has coordinates","178600","2020-10-21","18:00:00",""
"4071200","13.19","0.003","19.765","0.004","13.373","0.003","90","","97.16","0.03","90","","3459.2","1.3","120","2","120","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","Complex 8","","","- C65 H60 B F30 O3 P2 Rh -","- C65 H60 B F30 O3 P2 Rh -","- C130 H120 B2 F60 O6 P4 Rh2 -","2","0.5","","Salem, Hiyam; Shimon, Linda J. W.; Leitus, Gregory; Weiner, Lev; Milstein, David","B−C Bond Cleavage of BArFAnion Upon Oxidation of Rhodium(I) with AgBArF. Phosphinite Rhodium(I), Rhodium(II), and Rhodium(III) Pincer Complexes","Organometallics","2008","27","10","2293","","10.1021/om800034t","","","0.71073","MoKα","","0.061","0.0497","","","0.0979","0.1014","","","","","","1.126","","","","has coordinates,has disorder","178601","2020-10-21","18:00:00",""
"4071201","8.404","0.0017","16.6","0.003","20.931","0.004","102.71","0.03","95.99","0.03","104.26","0.03","2721.6","1.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","complex 11","","","- C22 H39 F2 O4 P3 Rh -","- C22 H39 F2 O4 P3 Rh -","- C88 H156 F8 O16 P12 Rh4 -","4","2","","Salem, Hiyam; Shimon, Linda J. W.; Leitus, Gregory; Weiner, Lev; Milstein, David","B−C Bond Cleavage of BArFAnion Upon Oxidation of Rhodium(I) with AgBArF. Phosphinite Rhodium(I), Rhodium(II), and Rhodium(III) Pincer Complexes","Organometallics","2008","27","10","2293","","10.1021/om800034t","","","0.71073","MoKα","","0.0791","0.0461","","","0.1068","0.1182","","","","","","1.028","","","","has coordinates,has disorder","178601","2020-10-21","18:00:00",""
"4071202","8.176","0.0016","12.184","0.002","13.351","0.003","100.49","0.03","95.71","0.03","103.91","0.03","1255","0.5","120","2","120","2","","","","","","","","6","P -1","-P 1","2","complex 4","","","- C22 H40 Cl O2 P2 Rh -","- C22 H40 Cl O2 P2 Rh -","- C44 H80 Cl2 O4 P4 Rh2 -","2","1","","Salem, Hiyam; Shimon, Linda J. W.; Leitus, Gregory; Weiner, Lev; Milstein, David","B−C Bond Cleavage of BArFAnion Upon Oxidation of Rhodium(I) with AgBArF. Phosphinite Rhodium(I), Rhodium(II), and Rhodium(III) Pincer Complexes","Organometallics","2008","27","10","2293","","10.1021/om800034t","","","0.71073","MoKα","","0.0286","0.0261","","","0.062","0.0633","","","","","","1.073","","","","has coordinates,has disorder","178601","2020-10-21","18:00:00",""
"4071203","10.414","0.0005","15.2465","0.0008","15.8488","0.0008","90","","92.365","0.001","90","","2514.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Cl4 Fe N3 -","- C24 H25 Cl4 Fe N3 -","- C96 H100 Cl16 Fe4 N12 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","Modification of Iron(II) Tridentate Bis(imino)pyridine Complexes by a Boryl Group for the Production of α-Olefins at High Temperature†","Organometallics","2008","27","8","1902","","10.1021/om800036b","","","0.71073","MoKα","","0.0602","0.0365","","","0.0749","0.0836","","","","","","1.021","","","","has coordinates,has disorder","178601","2020-10-21","18:00:00",""
"4071204","12.6115","0.0019","16.284","0.002","19.867","0.003","90","","104.933","0.003","90","","3942.2","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C37 H47 B2 Cl2 Fe N5 O4 -","- C35 H44 B2 Cl2 Fe N4 O4 -","- C140 H176 B8 Cl8 Fe4 N16 O16 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","Modification of Iron(II) Tridentate Bis(imino)pyridine Complexes by a Boryl Group for the Production of α-Olefins at High Temperature†","Organometallics","2008","27","8","1902","","10.1021/om800036b","","","0.71073","MoKα","","0.173","0.0676","","","0.1264","0.1616","","","","","","0.869","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071205","8.65","0.02","23.25","0.06","17.26","0.04","90","","90.99","0.04","90","","3471","14","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 B Cl2 Fe N3 O2 -","- C36 H42 B Cl2 Fe N3 O2 -","- C144 H168 B4 Cl8 Fe4 N12 O8 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","Modification of Iron(II) Tridentate Bis(imino)pyridine Complexes by a Boryl Group for the Production of α-Olefins at High Temperature†","Organometallics","2008","27","8","1902","","10.1021/om800036b","","","0.71073","MoKα","","0.386","0.1143","","","0.2228","0.3669","","","","","","0.869","","","","has coordinates,has disorder","178601","2020-10-21","18:00:00",""
"4071206","31.466","0.003","8.8961","0.0009","25.037","0.003","90","","111.985","0.002","90","","6498.8","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C61 H74 B2 Cl6 Fe2 N6 O4 -","- C61 H74 B2 Cl6 Fe2 N6 O4 -","- C244 H296 B8 Cl24 Fe8 N24 O16 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","Modification of Iron(II) Tridentate Bis(imino)pyridine Complexes by a Boryl Group for the Production of α-Olefins at High Temperature†","Organometallics","2008","27","8","1902","","10.1021/om800036b","","","0.71073","MoKα","","0.1438","0.0578","","","0.1165","0.1439","","","","","","0.987","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071207","14.116","0.004","15.902","0.005","14.105","0.004","90","","101.311","0.005","90","","3104.7","1.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 B Cl2 Fe N3 O2 -","- C30 H36 B Cl2 Fe N3 O2 -","- C120 H144 B4 Cl8 Fe4 N12 O8 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","Modification of Iron(II) Tridentate Bis(imino)pyridine Complexes by a Boryl Group for the Production of α-Olefins at High Temperature†","Organometallics","2008","27","8","1902","","10.1021/om800036b","","","0.71073","MoKα","","0.0991","0.0516","","","0.1249","0.1486","","","","","","0.999","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071208","14.112","0.014","15.854","0.017","13.83","0.015","90","","100.75","0.02","90","","3040","6","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H33 B Br Cl2 Fe N3 O2 -","- C29 H33 B Br Cl2 Fe N3 O2 -","- C116 H132 B4 Br4 Cl8 Fe4 N12 O8 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","Modification of Iron(II) Tridentate Bis(imino)pyridine Complexes by a Boryl Group for the Production of α-Olefins at High Temperature†","Organometallics","2008","27","8","1902","","10.1021/om800036b","","","0.71073","MoKα","","0.366","0.0922","","","0.2062","0.3498","","","","","","0.684","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071209","38.848","0.009","9.3737","0.0019","29.955","0.011","90","","123.61","0.02","90","","9085","5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H66 Si8 Zr -","- C32 H66 Si8 Zr -","- C256 H528 Si64 Zr8 -","8","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes","Organometallics","2008","27","11","2570","","10.1021/om800038h","","","0.71073","MoKα","","0.1332","0.1038","","","0.2511","0.2771","","","","","","1.042","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071210","11.335","0.004","10.597","0.003","12.796","0.004","90","","94.356","0.005","90","","1532.6","0.8","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H42 Si4 Ti -","- C27 H42 Si4 Ti -","- C54 H84 Si8 Ti2 -","2","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes","Organometallics","2008","27","11","2570","","10.1021/om800038h","","","0.71073","MoKα","","0.119","0.0681","","","0.0844","0.0952","","","","","","0.834","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071211","17.927","0.004","11.581","0.002","17.288","0.003","90","","118.57","0.03","90","","3152.2","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H47 P Si4 Zr -","- C24 H47 P Si4 Zr -","- C96 H188 P4 Si16 Zr4 -","4","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes","Organometallics","2008","27","11","2570","","10.1021/om800038h","","","0.71073","MoKα","","0.0786","0.0611","","","0.1351","0.1456","","","","","","1.101","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071212","16.088","0.003","10.731","0.002","17.823","0.004","90","","105.34","0.03","90","","2967.3","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H84 Si8 Zr2 -","- C54 H84 Si8 Zr2 -","- C108 H168 Si16 Zr4 -","2","0.5","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes","Organometallics","2008","27","11","2570","","10.1021/om800038h","","","0.71073","MoKα","","0.0541","0.0496","","","0.1065","0.1084","","","","","","1.232","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071213","18.106","0.004","10.444","0.002","15.295","0.003","90","","98.92","0.03","90","","2857.3","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H43 P Si3 Zr -","- C23 H43 P Si3 Zr -","- C92 H172 P4 Si12 Zr4 -","4","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes","Organometallics","2008","27","11","2570","","10.1021/om800038h","","","0.71073","MoKα","","0.031","0.0273","","","0.0664","0.0682","","","","","","1.043","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071214","18.106","0.004","10.445","0.002","15.257","0.003","90","","99.06","0.03","90","","2849.4","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H43 Hf P Si3 -","- C23 H43 Hf P Si3 -","- C92 H172 Hf4 P4 Si12 -","4","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes","Organometallics","2008","27","11","2570","","10.1021/om800038h","","","0.71073","MoKα","","0.0718","0.0617","","","0.1108","0.114","","","","","","1.262","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071215","17.472","0.004","22.229","0.004","12.832","0.003","90","","90","","90","","4983.8","1.9","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C26 H36 Hf2 P2 -","- C26 H36 Hf2 P2 -","- C208 H288 Hf16 P16 -","8","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes","Organometallics","2008","27","11","2570","","10.1021/om800038h","","","0.71073","MoKα","","0.0629","0.0466","","","0.0831","0.0885","","","","","","1.126","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071216","19.608","0.004","11.116","0.002","19.047","0.004","90","","97.32","0.03","90","","4117.7","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Si4 Zr -","- C42 H56 Si4 Zr -","- C168 H224 Si16 Zr4 -","4","0.5","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes","Organometallics","2008","27","11","2570","","10.1021/om800038h","","","0.71073","MoKα","","0.1082","0.0914","","","0.1708","0.1776","","","","","","1.289","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071217","20.769","0.004","11.323","0.002","15.923","0.003","90","","103.04","0.03","90","","3648","1.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 Hf Si4 -","- C36 H50 Hf Si4 -","- C144 H200 Hf4 Si16 -","4","0.5","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes","Organometallics","2008","27","11","2570","","10.1021/om800038h","","","0.71073","MoKα","","0.0176","0.0167","","","0.0415","0.0419","","","","","","1.054","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071218","9.3013","0.0019","31","0.006","11.056","0.002","90","","108.86","0.03","90","","3016.7","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Si3 Ti -","- C32 H38 Si3 Ti -","- C128 H152 Si12 Ti4 -","4","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes","Organometallics","2008","27","11","2570","","10.1021/om800038h","","","0.71073","MoKα","","0.1855","0.0848","","","0.1525","0.1929","","","","","","1.006","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071219","19.039","0.004","9.6121","0.0019","30.102","0.006","90","","93.73","0.03","90","","5497.1","1.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H66 Si6 Zr -","- C54 H66 Si6 Zr -","- C216 H264 Si24 Zr4 -","4","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes","Organometallics","2008","27","11","2570","","10.1021/om800038h","","","0.71073","MoKα","","0.1206","0.0612","","","0.1256","0.1484","","","","","","0.962","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071220","9.2332","0.0018","31.118","0.006","11.252","0.002","90","","109.38","0.03","90","","3049.7","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 Si3 Zr -","- C32 H38 Si3 Zr -","- C128 H152 Si12 Zr4 -","4","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes","Organometallics","2008","27","11","2570","","10.1021/om800038h","","","0.71073","MoKα","","0.1621","0.0817","","","0.1463","0.1728","","","","","","0.984","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071221","28.738","0.006","16.791","0.006","9.5167","0.0019","90","","90","","90","","4592","2","100","2","100","2","","","","","","","","4","A m a 2","A 2 -2a","40","","","","- C32 H64 Si8 Zr -","- C32 H64 Si8 Zr -","- C128 H256 Si32 Zr4 -","4","0.5","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes","Organometallics","2008","27","11","2570","","10.1021/om800038h","","","0.71073","MoKα","","0.1434","0.1347","","","0.2873","0.2927","","","","","","1.195","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071222","8.7389","0.0017","9.4834","0.0019","13.512","0.003","97.87","0.03","92.04","0.03","117.03","0.03","982","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H56 I2 Si8 -","- C22 H56 I2 Si8 -","- C22 H56 I2 Si8 -","1","0.5","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Group 4 Metallocene Complexes of Tris(trimethylsilyl)silylacetylene and Related Alkynes","Organometallics","2008","27","11","2570","","10.1021/om800038h","","","0.71073","MoKα","","0.1351","0.0854","","","0.2005","0.2262","","","","","","1.005","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071223","6.6105","0.0013","21.534","0.004","12.248","0.002","90","","93.12","0.03","90","","1740.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Cl2 Ti -","- C20 H22 Cl2 Ti -","- C80 H88 Cl8 Ti4 -","4","1","","Sassmannshausen, Jörg; Baumgartner, Judith","Synthesis, Reactivity, and Computational Studies of [η5-C5H5-(η5-C5H4CMe2C6H4Me)TiMe]+: Aromatic C−H Bond Activation at −50 °C§","Organometallics","2008","27","9","1996","","10.1021/om8000394","","","0.71073","MoKα","","0.1329","0.0959","","","0.199","0.2201","","","","","","1.111","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071224","6.9748","0.0014","12.204","0.002","21.448","0.004","90","","94.9","0.03","90","","1819","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 Ti -","- C22 H28 Ti -","- C88 H112 Ti4 -","4","1","","Sassmannshausen, Jörg; Baumgartner, Judith","Synthesis, Reactivity, and Computational Studies of [η5-C5H5-(η5-C5H4CMe2C6H4Me)TiMe]+: Aromatic C−H Bond Activation at −50 °C§","Organometallics","2008","27","9","1996","","10.1021/om8000394","","","0.71073","MoKα","","0.0901","0.0793","","","0.1607","0.1675","","","","","","1.04","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071225","12.6857","0.0008","18.4965","0.0012","23.2259","0.0015","90","","98.34","0.001","90","","5392.1","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","AM-213","","","- C67 H58 Ge4 -","- C67 H58 Ge4 -","- C268 H232 Ge16 -","4","1","","Amadoruge, Monika L.; Golen, James A.; Rheingold, Arnold L.; Weinert, Charles S.","Preparation, Structure, and Reactivity of Discrete Branched Oligogermanes⊥","Organometallics","2008","27","9","1979","","10.1021/om800040f","","","0.71073","MoKα","","0.0473","0.0326","","","0.0703","0.0759","","","","","","1.014","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071226","15.2176","0.0006","9.3278","0.0004","17.7508","0.0007","90","","114.744","0.002","90","","2288.33","0.17","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H44 Ir P3 -","- C18 H44 Ir P3 -","- C72 H176 Ir4 P12 -","4","1","","Bleeke, John R.; Thananatthanachon, Todsapon; Rath, Nigam P.","Silapentadienyl−Iridium−Phosphine Chemistry(1)","Organometallics","2008","27","11","2436","","10.1021/om800041b","","","0.71073","MoKα","","0.0283","0.0198","","","0.0344","0.036","","","","","","1.031","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071227","9.3183","0.0007","18.2326","0.0015","17.2933","0.0015","90","","104.074","0.004","90","","2849.9","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H49 Cl Ir O P3 Si -","- C20 H49 Cl Ir O P3 Si -","- C80 H196 Cl4 Ir4 O4 P12 Si4 -","4","1","","Bleeke, John R.; Thananatthanachon, Todsapon; Rath, Nigam P.","Silapentadienyl−Iridium−Phosphine Chemistry(1)","Organometallics","2008","27","11","2436","","10.1021/om800041b","","","0.71073","MoKα","","0.0387","0.0256","","","0.0505","0.0534","","","","","","1.038","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071228","9.3062","0.0006","10.7212","0.0007","12.1508","0.0007","90","","94.122","0.003","90","","1209.19","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H43 Cl Ir P3 Si -","- C17 H43 Cl Ir P3 Si -","- C34 H86 Cl2 Ir2 P6 Si2 -","2","1","","Bleeke, John R.; Thananatthanachon, Todsapon; Rath, Nigam P.","Silapentadienyl−Iridium−Phosphine Chemistry(1)","Organometallics","2008","27","11","2436","","10.1021/om800041b","","","0.71073","MoKα","","0.0317","0.0261","","","0.0446","0.046","","","","","","1.034","","","","has coordinates,has disorder","178601","2020-10-21","18:00:00",""
"4071229","15.8275","0.0008","17.7785","0.001","17.9098","0.0009","90","","90","","90","","5039.6","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H46 Ir P3 Si -","- C18 H46 Ir P3 Si -","- C144 H368 Ir8 P24 Si8 -","8","1","","Bleeke, John R.; Thananatthanachon, Todsapon; Rath, Nigam P.","Silapentadienyl−Iridium−Phosphine Chemistry(1)","Organometallics","2008","27","11","2436","","10.1021/om800041b","","","0.71073","MoKα","","0.0378","0.0224","","","0.039","0.0419","","","","","","1.03","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071230","15.303","0.002","13.4145","0.0019","24.337","0.004","90","","95.975","0.003","90","","4968.8","1.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H52 O9 Os3 P2 Pt2 -","- C33 H52 O9 Os3 P2 Pt2 -","- C132 H208 O36 Os12 P8 Pt8 -","4","1","","Adams, Richard D.; Boswell, Erin","Cleavage oftert-Butyl Groups from the Tri-tert-butylphosphine Ligand in Osmium−Platinum Carbonyl Cluster Complexes","Organometallics","2008","27","9","2021","","10.1021/om8000422","","","0.71073","MoKα","","0.0701","0.0459","","","0.1264","0.1437","","","","","","1.099","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071231","13.7017","0.0007","10.4238","0.0005","26.7764","0.0014","90","","96.779","0.001","90","","3797.6","0.3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H50 O7 Os3 P2 Pt -","- C31 H50 O7 Os3 P2 Pt -","- C124 H200 O28 Os12 P8 Pt4 -","4","1","","Adams, Richard D.; Boswell, Erin","Cleavage oftert-Butyl Groups from the Tri-tert-butylphosphine Ligand in Osmium−Platinum Carbonyl Cluster Complexes","Organometallics","2008","27","9","2021","","10.1021/om8000422","","","0.71073","MoKα","","0.0395","0.0317","","","0.0795","0.087","","","","","","1.136","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071232","33.7203","0.0018","14.1815","0.0008","19.736","0.0011","90","","102.095","0.001","90","","9228.3","0.9","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 O12 Os3 P2 Pt4 -","- C28 H36 O12 Os3 P2 Pt4 -","- C224 H288 O96 Os24 P16 Pt32 -","8","1","","Adams, Richard D.; Boswell, Erin","Cleavage oftert-Butyl Groups from the Tri-tert-butylphosphine Ligand in Osmium−Platinum Carbonyl Cluster Complexes","Organometallics","2008","27","9","2021","","10.1021/om8000422","","","0.71073","MoKα","","0.0668","0.0405","","","0.0856","0.0944","","","","","","0.939","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071233","9.1635","0.0005","25.1624","0.0014","17.6681","0.001","90","","101.637","0.001","90","","3990.1","0.4","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H50 O8 Os3 P2 Pt -","- C32 H50 O8 Os3 P2 Pt -","- C128 H200 O32 Os12 P8 Pt4 -","4","1","","Adams, Richard D.; Boswell, Erin","Cleavage oftert-Butyl Groups from the Tri-tert-butylphosphine Ligand in Osmium−Platinum Carbonyl Cluster Complexes","Organometallics","2008","27","9","2021","","10.1021/om8000422","","","0.71073","MoKα","","0.0785","0.0451","","","0.0881","0.1164","","","","","","1.055","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071234","13.41","0.003","11.004","0.002","27.454","0.006","90","","92.49","0.03","90","","4047.4","1.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N2 O4.5 Pd -","- C19 H25 N2 O4.5 Pd -","- C152 H200 N16 O36 Pd8 -","8","2","","Giri, Ramesh; Maugel, Nathan; Foxman, Bruce M.; Yu, Jin-Quan","Dehydrogenation of Inert Alkyl Groups via Remote C−H Activation: Converting a Propyl Group into a π-Allylic Complex","Organometallics","2008","27","8","1667","","10.1021/om8000444","","","0.71073","MoKα","","0.0496","0.0431","","","0.1096","0.1138","","","","","","1.099","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071235","11.4408","0.0005","9.9882","0.0004","14.8055","0.0006","90","","97.645","0.003","90","","1676.83","0.12","120","","120","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 Cl N2 O2 Pd -","- C17 H21 Cl N2 O2 Pd -","- C68 H84 Cl4 N8 O8 Pd4 -","4","1","","Giri, Ramesh; Maugel, Nathan; Foxman, Bruce M.; Yu, Jin-Quan","Dehydrogenation of Inert Alkyl Groups via Remote C−H Activation: Converting a Propyl Group into a π-Allylic Complex","Organometallics","2008","27","8","1667","","10.1021/om8000444","","","0.71073","MoKα","","0.026","0.0206","","0.0493","0.0485","0.0493","","","","","","0.8508","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071236","10.1646","0.0005","17.4207","0.0008","18.9964","0.0009","90","","90","","90","","3363.8","0.3","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H22 N2 O2 Pd -","- C18 H22 N2 O2 Pd -","- C144 H176 N16 O16 Pd8 -","8","1","","Giri, Ramesh; Maugel, Nathan; Foxman, Bruce M.; Yu, Jin-Quan","Dehydrogenation of Inert Alkyl Groups via Remote C−H Activation: Converting a Propyl Group into a π-Allylic Complex","Organometallics","2008","27","8","1667","","10.1021/om8000444","","","0.71073","MoKα","","0.0209","0.0161","","0.0413","0.0406","0.0413","","","","","","0.8474","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071237","34.86","0.001","15.184","0.001","23.014","0.001","90","","126.804","0.001","90","","9753.7","0.8","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H46 Cl2 F6 O1.5 P3 Pd -","- C54 H46 Cl2 F6 O1.5 P3 Pd -","- C432 H368 Cl16 F48 O12 P24 Pd8 -","8","1","","Mora, Guilhem; Piechaczyk, Olivier; Le Goff, Xavier F.; Le Floch, Pascal","Palladium-Catalyzed Deallylation of Allyl Ethers with a Xanthene Phosphole Ligand. Experimental and DFT Mechanistic Studies","Organometallics","2008","27","11","2565","","10.1021/om800051n","","","0.71069","MoKα","","0.0725","0.0534","","","0.1498","0.1688","","","","","","1.009","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071238","19.7118","0.0003","18.4691","0.0003","25.4987","0.0004","90","","99.551","0.001","90","","9154.4","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C78.57 H141.15 Cl4.94 N O7 P4 Ru4 -","- C78.575 H141.15 Cl4.936 N O7 P4 Ru4 -","- C314.3 H564.6 Cl19.744 N4 O28 P16 Ru16 -","4","1","","Yi, Chae S.; Zeczycki, Tonya N.; Lindeman, Sergey V.","Kinetic, Spectroscopic, and X-Ray Crystallographic Evidence for the Cooperative Mechanism of the Hydration of Nitriles Catalyzed by a Tetranuclear Ruthenium-μ-oxo-μ-hydroxo Complex","Organometallics","2008","27","9","2030","","10.1021/om800053q","","","1.54178","CuKα","","0.0588","0.0533","","","0.132","0.135","","","","","","1.053","","","","has coordinates,has disorder","178601","2020-10-21","18:00:00",""
"4071239","13.9217","0.0009","14.4359","0.0009","10.4167","0.0005","90","","90","","90","","2093.5","0.2","150","2","150","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C44 H60 Ni O3 P2 -","- C44 H60 Ni O3 P2 -","- C88 H120 Ni2 O6 P4 -","2","0.5","","Ruhland, Klaus; Obenhuber, Andreas; Hoffmann, Stephan D.","Cleavage of Unstrained C(sp2)—C(sp2) Single Bonds with Ni0Complexes Using Chelating Assistance","Organometallics","2008","27","14","3482","","10.1021/om800054m","","","0.71073","MoKα","","0.0739","0.0695","","","0.1833","0.1924","","","","","","1.069","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071240","15.0464","0.0005","10.5122","0.0002","16.57","0.0005","90","","112.802","0.004","90","","2416.07","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Ni O2 P2 -","- C24 H36 Ni O2 P2 -","- C96 H144 Ni4 O8 P8 -","4","1","","Ruhland, Klaus; Obenhuber, Andreas; Hoffmann, Stephan D.","Cleavage of Unstrained C(sp2)—C(sp2) Single Bonds with Ni0Complexes Using Chelating Assistance","Organometallics","2008","27","14","3482","","10.1021/om800054m","","","0.71073","MoKα","","0.052","0.0295","","","0.0615","0.0775","","","","","","1.182","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071241","11.1191","0.0005","16.6497","0.0006","14.3339","0.0006","90","","90.172","0.003","90","","2653.62","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Ni O4 P2 -","- C26 H36 Ni O4 P2 -","- C104 H144 Ni4 O16 P8 -","4","1","","Ruhland, Klaus; Obenhuber, Andreas; Hoffmann, Stephan D.","Cleavage of Unstrained C(sp2)—C(sp2) Single Bonds with Ni0Complexes Using Chelating Assistance","Organometallics","2008","27","14","3482","","10.1021/om800054m","","","0.71073","MoKα","","0.0563","0.0502","","","0.1343","0.1371","","","","","","1.068","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071242","14.9964","0.0001","9.3798","0.0001","19.6238","0.0002","90","","102.52","0.001","90","","2694.71","0.04","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Ni O5 P2 -","- C27 H36 Ni O5 P2 -","- C108 H144 Ni4 O20 P8 -","4","1","","Ruhland, Klaus; Obenhuber, Andreas; Hoffmann, Stephan D.","Cleavage of Unstrained C(sp2)—C(sp2) Single Bonds with Ni0Complexes Using Chelating Assistance","Organometallics","2008","27","14","3482","","10.1021/om800054m","","","0.71073","MoKα","","0.0385","0.0313","","","0.0706","0.0777","","","","","","1.139","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071243","12.62","0.0004","13.013","0.0005","14.979","0.0006","94.816","0.002","95.71","0.002","118.712","0.001","2122.14","0.14","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C49 H40 Cl3 Fe3 P3 -","- C49 H40 Cl3 Fe3 P3 -","- C98 H80 Cl6 Fe6 P6 -","2","1","","Mizuta, Tsutomu; Aotani, Tomoyuki; Imamura, Yuki; Kubo, Kazuyuki; Miyoshi, Katsuhiko","Structure and Properties of the Macrocyclic Tridentate Ferrocenylphosphine Ligand (−PhPC5H4FeC5H4−)3","Organometallics","2008","27","11","2457","","10.1021/om800057w","","","0.71069","MoKα","","0.0989","0.0645","","","0.1498","0.173","","","","","","1.089","","","","has coordinates,has disorder","178601","2020-10-21","18:00:00",""
"4071244","49.621","0.0002","49.621","","25.425","0.0001","90","","90","","120","","54215.4","0.3","200","2","200","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C56 H55 Fe3 O2 P3 S3 -","- C56.0057 H55.0114 Fe3 O2.00143 P3 S3 -","- C2352.24 H2310.48 Fe126 O84.06 P126 S126 -","42","2.33333","","Mizuta, Tsutomu; Aotani, Tomoyuki; Imamura, Yuki; Kubo, Kazuyuki; Miyoshi, Katsuhiko","Structure and Properties of the Macrocyclic Tridentate Ferrocenylphosphine Ligand (−PhPC5H4FeC5H4−)3","Organometallics","2008","27","11","2457","","10.1021/om800057w","","","0.71069","MoKα","","0.045","0.0415","","","0.1108","0.1136","","","","","","1.053","","","","has coordinates,has disorder","178601","2020-10-21","18:00:00",""
"4071245","13.309","0.0002","24.399","0.0004","16.317","0.0003","90","","106.752","0.001","90","","5073.69","0.15","200","2","200","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C55 H43 Ag Cl2 F3 Fe3 O3 P3 S -","- C55 H43 Ag Cl2 F3 Fe3 O3 P3 S -","- C220 H172 Ag4 Cl8 F12 Fe12 O12 P12 S4 -","4","1","","Mizuta, Tsutomu; Aotani, Tomoyuki; Imamura, Yuki; Kubo, Kazuyuki; Miyoshi, Katsuhiko","Structure and Properties of the Macrocyclic Tridentate Ferrocenylphosphine Ligand (−PhPC5H4FeC5H4−)3","Organometallics","2008","27","11","2457","","10.1021/om800057w","","","0.71069","MoKα","","0.1056","0.0704","","","0.1574","0.1808","","","","","","1.071","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071246","6.8366","0.0007","13.386","0.0015","14.6784","0.0016","82.528","0.002","79.887","0.002","81.766","0.002","1301.2","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Ge Mo O3 -","- C11 H12 Ge Mo O3 -","- C44 H48 Ge4 Mo4 O12 -","4","2","","Apodaca, Paula; Kumar, Mukesh; Cervantes-Lee, Francisco; Sharma, Hemant K.; Pannell, Keith H.","The Chloromethylgermyl Complexes (η5-C5H5)M(CO)nGeR2CH2Cl [M = Fe (n= 2), Mo, W (n= 3)]: Rearrangements, Transformations to 1-Germa-3-metallacyclobutanes (η5-C5H4)M(CO)nCH2GeR2, and their Ring-Opening Polymerizations","Organometallics","2008","27","13","3136","","10.1021/om800059r","","","0.71073","MoKα","","0.0665","0.0527","","","0.12","0.1318","","","","","","0.747","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071247","6.822","0.002","13.361","0.004","14.685","0.004","82.509","0.005","79.76","0.005","81.872","0.005","1296.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 Ge O3 W -","- C11 H12 Ge O3 W -","- C44 H48 Ge4 O12 W4 -","4","2","","Apodaca, Paula; Kumar, Mukesh; Cervantes-Lee, Francisco; Sharma, Hemant K.; Pannell, Keith H.","The Chloromethylgermyl Complexes (η5-C5H5)M(CO)nGeR2CH2Cl [M = Fe (n= 2), Mo, W (n= 3)]: Rearrangements, Transformations to 1-Germa-3-metallacyclobutanes (η5-C5H4)M(CO)nCH2GeR2, and their Ring-Opening Polymerizations","Organometallics","2008","27","13","3136","","10.1021/om800059r","","","0.71073","MoKα","","0.051","0.044","","","0.1042","0.1082","","","","","","1.04","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071248","24.054","0.004","14.1761","0.0014","19.279","0.0018","90","","95.194","0.015","90","","6547","1.4","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Cl2 Mn O2 P -","- C37 H32 Cl2 Mn O2 P -","- C296 H256 Cl16 Mn8 O16 P8 -","8","1","","Sentets, Stéphane; Serres, Rémi; Ortin, Yannick; Lugan, Noël; Lavigne, Guy","Directed Formation of Allene Complexes upon Reaction of Non-heteroatom-Substituted Manganese Alkynyl Carbene Complexes with Nucleophiles","Organometallics","2008","27","9","2078","","10.1021/om800060v","","","0.71073","MoKα","","0.0669","0.0536","","","0.1339","0.1417","","","","","","1.075","","","","has coordinates,has disorder","278046","2022-09-21","15:45:40",""
"4071249","9.923","0.003","21.7612","0.0017","12.017","0.005","90","","104.77","0.05","90","","2509.2","1.4","160","2","160","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 Mn O2 S -","- C31 H27 Mn O2 S -","- C124 H108 Mn4 O8 S4 -","4","1","","Sentets, Stéphane; Serres, Rémi; Ortin, Yannick; Lugan, Noël; Lavigne, Guy","Directed Formation of Allene Complexes upon Reaction of Non-heteroatom-Substituted Manganese Alkynyl Carbene Complexes with Nucleophiles","Organometallics","2008","27","9","2078","","10.1021/om800060v","","x-ray","0.71073","MoKα","","0.0781","0.0424","","","0.1048","0.1269","","","","","","1.066","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071250","13.8542","0.0008","10.8128","0.0006","17.1782","0.0005","90","","108.37","0.04","90","","2442.2","0.6","180","2","180","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 Mn O3 -","- C30 H29 Mn O3 -","- C120 H116 Mn4 O12 -","4","1","","Sentets, Stéphane; Serres, Rémi; Ortin, Yannick; Lugan, Noël; Lavigne, Guy","Directed Formation of Allene Complexes upon Reaction of Non-heteroatom-Substituted Manganese Alkynyl Carbene Complexes with Nucleophiles","Organometallics","2008","27","9","2078","","10.1021/om800060v","","x-ray","0.71073","MoKα","","0.0984","0.0597","","","0.1334","0.1565","","","","","","1.031","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071251","8.8673","0.0004","29.3918","0.0012","12.0901","0.0005","90","","107.574","0.004","90","","3003.9","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Mn O2 P -","- C36 H42 Mn O2 P -","- C144 H168 Mn4 O8 P4 -","4","1","","Sentets, Stéphane; Serres, Rémi; Ortin, Yannick; Lugan, Noël; Lavigne, Guy","Directed Formation of Allene Complexes upon Reaction of Non-heteroatom-Substituted Manganese Alkynyl Carbene Complexes with Nucleophiles","Organometallics","2008","27","9","2078","","10.1021/om800060v","","x-ray","0.71073","MoKα","","0.0942","0.056","","","0.1088","0.1184","","","","","","1.026","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071252","9.2247","0.0009","11.1454","0.001","30.466","0.003","90","","97.174","0.011","90","","3107.8","0.5","120","2","120","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Mn O2 P -","- C36 H42 Mn O2 P -","- C144 H168 Mn4 O8 P4 -","4","1","","Sentets, Stéphane; Serres, Rémi; Ortin, Yannick; Lugan, Noël; Lavigne, Guy","Directed Formation of Allene Complexes upon Reaction of Non-heteroatom-Substituted Manganese Alkynyl Carbene Complexes with Nucleophiles","Organometallics","2008","27","9","2078","","10.1021/om800060v","","x-ray","0.71069","MoKα","","0.1072","0.0402","","","0.0688","0.0763","","","","","","0.841","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071253","10.0881","0.0002","15.58","0.0003","19.2306","0.0004","90","","95.895","0.001","90","","3006.54","0.1","100","2","100","0.1","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H33 Mo3 O7 P -","- C30 H33 Mo3 O7 P -","- C120 H132 Mo12 O28 P4 -","4","1","","Alvarez, M. Angeles; García-Vivó, Daniel; García, M. Esther; Martínez, M. Eugenia; Ramos, Alberto; Ruiz, Miguel A.","Reactivity of the α-Agostic Methyl Bridge in the Unsaturated Complex [Mo2(η5-C5H5)2(μ-η1:η2-CH3)(μ-PCy2)(CO)2]: Migratory Behavior and Methylidyne Derivatives","Organometallics","2008","27","9","1973","","10.1021/om800061z","","x-ray","0.71073","MoKα","","0.0516","0.0342","","","0.0638","0.0676","","","","","","1.04","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071254","13.3752","0.0002","11.7509","0.0002","25.3894","0.0004","90","","119.262","0.001","90","","3481.26","0.1","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C69 H74 Fe4 Mo4 O16 P2 -","- C69 H74 Fe4 Mo4 O16 P2 -","- C138 H148 Fe8 Mo8 O32 P4 -","2","0.5","","Alvarez, M. Angeles; García-Vivó, Daniel; García, M. Esther; Martínez, M. Eugenia; Ramos, Alberto; Ruiz, Miguel A.","Reactivity of the α-Agostic Methyl Bridge in the Unsaturated Complex [Mo2(η5-C5H5)2(μ-η1:η2-CH3)(μ-PCy2)(CO)2]: Migratory Behavior and Methylidyne Derivatives","Organometallics","2008","27","9","1973","","10.1021/om800061z","","x-ray","0.71073","MoKα","","0.0611","0.0476","","","0.1349","0.1589","","","","","","1.191","","","","has coordinates,has disorder","178601","2020-10-21","18:00:00",""
"4071255","11.1708","0.0003","14.5431","0.0004","21.674","0.0006","90","","90","","90","","3521.12","0.17","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[Pd(allyl)(1,2-eta-P*,kP)]SbF6 (3a)","","","- C39 H35 F6 N O2 P Pd Sb -","- C39 H35 F6 N O2 P Pd Sb -","- C156 H140 F24 N4 O8 P4 Pd4 Sb4 -","4","1","","Mikhel, Igor S.; Rüegger, Heinz; Butti, Pietro; Camponovo, Francesco; Huber, Dominik; Mezzetti, Antonio","A Chiral Phosphoramidite beyond Monodentate Coordination: Secondary π-Interactions Turn a Dangling Aryl into a Two-, Four-, or Six-Electron Donor in d6and d8Complexes","Organometallics","2008","27","13","2937","","10.1021/om800064r","","","0.71073","MoKα","","0.0213","0.0207","","","0.0542","0.0546","","","","","","1.035","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071256","9.052","0.0005","11.3595","0.0006","34.266","0.002","90","","90","","90","","3523.4","0.3","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[RhCl(NBD)(P*,kP)] (4a)","","","- C43 H38 Cl N O2 P Rh -","- C43 H38 Cl N O2 P Rh -","- C172 H152 Cl4 N4 O8 P4 Rh4 -","4","1","","Mikhel, Igor S.; Rüegger, Heinz; Butti, Pietro; Camponovo, Francesco; Huber, Dominik; Mezzetti, Antonio","A Chiral Phosphoramidite beyond Monodentate Coordination: Secondary π-Interactions Turn a Dangling Aryl into a Two-, Four-, or Six-Electron Donor in d6and d8Complexes","Organometallics","2008","27","13","2937","","10.1021/om800064r","","","0.71073","MoKα","","0.0301","0.0285","","","0.0678","0.0687","","","","","","1.066","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071257","12.052","0.0012","12.7854","0.0013","23.726","0.002","90","","90","","90","","3655.9","0.6","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[RhCl(COD)(P*,kP)] (4b)","","","- C44 H42 Cl N O2 P Rh -","- C44 H42 Cl N O2 P Rh -","- C176 H168 Cl4 N4 O8 P4 Rh4 -","4","1","","Mikhel, Igor S.; Rüegger, Heinz; Butti, Pietro; Camponovo, Francesco; Huber, Dominik; Mezzetti, Antonio","A Chiral Phosphoramidite beyond Monodentate Coordination: Secondary π-Interactions Turn a Dangling Aryl into a Two-, Four-, or Six-Electron Donor in d6and d8Complexes","Organometallics","2008","27","13","2937","","10.1021/om800064r","","","0.71073","MoKα","","0.037","0.034","","","0.0781","0.0794","","","","","","1.04","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071258","11.2449","0.0006","15.0329","0.0008","22.3759","0.0012","90","","90","","90","","3782.5","0.3","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","[Rh(NBD)(1,2-eta-P*,kP)]SbF6 (5a)","","","- C43 H38 F6 N O2 P Rh Sb -","- C43 H38 F6 N O2 P Rh Sb -","- C172 H152 F24 N4 O8 P4 Rh4 Sb4 -","4","1","","Mikhel, Igor S.; Rüegger, Heinz; Butti, Pietro; Camponovo, Francesco; Huber, Dominik; Mezzetti, Antonio","A Chiral Phosphoramidite beyond Monodentate Coordination: Secondary π-Interactions Turn a Dangling Aryl into a Two-, Four-, or Six-Electron Donor in d6and d8Complexes","Organometallics","2008","27","13","2937","","10.1021/om800064r","","","0.71073","MoKα","","0.0414","0.0374","","","0.0812","0.0832","","","","","","1.067","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071259","25.143","0.005","21.055","0.004","26.124","0.005","90","","90.266","0.004","90","","13830","5","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","[Rh(P*,kP)(eta6-P,kP)]SbF6 (6)","","","- C75 H69.5 F6 N2 O7 P2 Rh Sb -","- C75.2 H60 F6 N2 O7.2 P2 Rh Sb -","- C601.6 H480 F48 N16 O57.6 P16 Rh8 Sb8 -","8","2","","Mikhel, Igor S.; Rüegger, Heinz; Butti, Pietro; Camponovo, Francesco; Huber, Dominik; Mezzetti, Antonio","A Chiral Phosphoramidite beyond Monodentate Coordination: Secondary π-Interactions Turn a Dangling Aryl into a Two-, Four-, or Six-Electron Donor in d6and d8Complexes","Organometallics","2008","27","13","2937","","10.1021/om800064r","","","0.71073","MoKα","","0.1459","0.0657","","","0.1436","0.1753","","","","","","0.92","","","","has coordinates,has disorder","304654","2026-02-27","09:09:29",""
"4071260","17.8778","0.0011","9.6153","0.0006","18.4977","0.0011","90","","107.393","0.001","90","","3034.4","0.3","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[RuCl2(eta6-P*,kP)] (7)","","","- C36 H30 Cl2 N O2 P Ru -","- C36 H30 Cl2 N O2 P Ru -","- C144 H120 Cl8 N4 O8 P4 Ru4 -","4","1","","Mikhel, Igor S.; Rüegger, Heinz; Butti, Pietro; Camponovo, Francesco; Huber, Dominik; Mezzetti, Antonio","A Chiral Phosphoramidite beyond Monodentate Coordination: Secondary π-Interactions Turn a Dangling Aryl into a Two-, Four-, or Six-Electron Donor in d6and d8Complexes","Organometallics","2008","27","13","2937","","10.1021/om800064r","","","0.71073","MoKα","","0.0375","0.0321","","","0.0772","0.0806","","","","","","1.024","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071261","16.093","0.003","21.424","0.004","33.139","0.005","90","","90","","90","","11426","3","163","2","163","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H45 N2 Si Sm -","- C27 H45 N2 Si Sm -","- C432 H720 N32 Si16 Sm16 -","16","2","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Diazomethane Insertion into Lanthanide− and Yttrium−C(allyl) Bonds To Form the η2-Hydrazonato Complexes (C5Me5)2Ln[η2(N,N′)-RNNCHSiMe3] (R = C3H5)","Organometallics","2008","27","14","3582","","10.1021/om800065j","","","0.71073","MoKα","","0.0993","0.0569","","","0.1123","0.134","","","","","","1.191","","","","has coordinates,has disorder","178601","2020-10-21","18:00:00",""
"4071262","11.505","0.0018","14.053","0.002","17.978","0.003","90","","102.539","0.002","90","","2837.4","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","emA","","","- C27 H45 La N2 Si -","- C27 H45 La N2 Si -","- C108 H180 La4 N8 Si4 -","4","1","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Diazomethane Insertion into Lanthanide− and Yttrium−C(allyl) Bonds To Form the η2-Hydrazonato Complexes (C5Me5)2Ln[η2(N,N′)-RNNCHSiMe3] (R = C3H5)","Organometallics","2008","27","14","3582","","10.1021/om800065j","","","0.71073","MoKα","","0.0425","0.0339","","","0.0653","0.0677","","","","","","1.089","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4071263","11.509","0.0015","13.9781","0.0019","18.573","0.003","90","","106.132","0.002","90","","2870.3","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","UCI15","","","- C27 H45 N2 Si Y -","- C27 H45 N2 Si Y -","- C108 H180 N8 Si4 Y4 -","4","1","","Evans, William J.; Montalvo, Elizabeth; Champagne, Timothy M.; Ziller, Joseph W.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Diazomethane Insertion into Lanthanide− and Yttrium−C(allyl) Bonds To Form the η2-Hydrazonato Complexes (C5Me5)2Ln[η2(N,N′)-RNNCHSiMe3] (R = C3H5)","Organometallics","2008","27","14","3582","","10.1021/om800065j","","","0.71073","MoKα","","0.0663","0.0443","","","0.1075","0.1168","","","","","","1.032","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071264","12.1123","0.0019","18.898","0.003","15.118","0.002","90","","97.756","0.003","90","","3428.8","0.9","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H60 Ga2 Si -","- C31 H60 Ga2 Si -","- C124 H240 Ga8 Si4 -","4","1","","Uhl, Werner; Claesener, Michael; Hepp, Alexander","A Carbon-Bridged Digallium Compound as a Chelating Lewis Acid: Complexation of Thiophenolate and Benzoate Anions by H5C6−CH2−C(SiMe3)[Ga(CH2tBu)2]2","Organometallics","2008","27","9","2118","","10.1021/om800068s","","","0.71073","MoKα","","0.0678","0.0428","","","0.0921","0.1018","","","","","","0.983","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4071265","14.202","0.002","20.403","0.003","21.021","0.003","90","","95.521","0.003","90","","6062.9","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56.5 H101 Ga2 N S Si -","- C56.5 H101 Ga2 N S Si -","- C226 H404 Ga8 N4 S4 Si4 -","4","1","","Uhl, Werner; Claesener, Michael; Hepp, Alexander","A Carbon-Bridged Digallium Compound as a Chelating Lewis Acid: Complexation of Thiophenolate and Benzoate Anions by H5C6−CH2−C(SiMe3)[Ga(CH2tBu)2]2","Organometallics","2008","27","9","2118","","10.1021/om800068s","","","0.71073","MoKα","","0.133","0.0681","","","0.1521","0.1801","","","","","","1.018","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4071266","11.4755","0.0016","21.41","0.003","23.672","0.003","90","","90.414","0.003","90","","5815.8","1.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H101 Ga2 N O2 Si -","- C54 H101 Ga2 N O2 Si -","- C216 H404 Ga8 N4 O8 Si4 -","4","1","","Uhl, Werner; Claesener, Michael; Hepp, Alexander","A Carbon-Bridged Digallium Compound as a Chelating Lewis Acid: Complexation of Thiophenolate and Benzoate Anions by H5C6−CH2−C(SiMe3)[Ga(CH2tBu)2]2","Organometallics","2008","27","9","2118","","10.1021/om800068s","","","0.71073","MoKα","","0.1238","0.0584","","","0.1148","0.1376","","","","","","0.974","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4071267","10.687","0.0005","8.8254","0.0004","14.8247","0.0007","90","","99.537","0.001","90","","1378.9","0.11","151","2","151","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","{BrZn[CH2C(O)NEt2](thf)}2, (1a)","","","- C20 H40 Br2 N2 O4 Zn2 -","- C20 H40 Br2 N2 O4 Zn2 -","- C40 H80 Br4 N4 O8 Zn4 -","2","0.5","","Greco, Jeffrey F.; McNevin, Michael J.; Shoemaker, Richard K.; Hagadorn, John R.","Solid- and Solution-Phase Structures of Zinc Enolates of Amides and Ketones","Organometallics","2008","27","8","1948","","10.1021/om800070j","","","0.71073","MoKα","","0.0741","0.0476","","","0.1053","0.1162","","","","","","0.994","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071268","8.0442","0.0004","9.6895","0.0005","9.9379","0.0005","103.446","0.001","99.177","0.001","106.337","0.001","701.65","0.06","147","2","147","2","","","","","","","","7","P -1","-P 1","2","{BrZn[CH2C(O)NEt2](dmso)}2, (1b)","","","- C16 H36 Br2 N2 O4 S2 Zn2 -","- C16 H36 Br2 N2 O4 S2 Zn2 -","- C16 H36 Br2 N2 O4 S2 Zn2 -","1","0.5","","Greco, Jeffrey F.; McNevin, Michael J.; Shoemaker, Richard K.; Hagadorn, John R.","Solid- and Solution-Phase Structures of Zinc Enolates of Amides and Ketones","Organometallics","2008","27","8","1948","","10.1021/om800070j","","","0.71073","MoKα","","0.057","0.0512","","","0.1356","0.1395","","","","","","1.036","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071269","7.8297","0.0007","10.2172","0.0009","21.8335","0.0019","90","","95.325","0.002","90","","1739.1","0.3","149","2","149","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{BrZn[CH2C(O)NEt2](4-t-Bu-py)}2, (1c)","","","- C30 H50 Br2 N4 O2 Zn2 -","- C30 H50 Br2 N4 O2 Zn2 -","- C60 H100 Br4 N8 O4 Zn4 -","2","0.5","","Greco, Jeffrey F.; McNevin, Michael J.; Shoemaker, Richard K.; Hagadorn, John R.","Solid- and Solution-Phase Structures of Zinc Enolates of Amides and Ketones","Organometallics","2008","27","8","1948","","10.1021/om800070j","","","0.71073","MoKα","","0.0812","0.0511","","","0.1099","0.122","","","","","","0.982","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071270","11.7235","0.0011","9.287","0.0008","17.3462","0.0015","90","","96.592","0.002","90","","1876.1","0.3","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{BrZn[OC(=CMe2)iPr](dmf)}2(benzene)2, (2b (benzene)2)","","","- C32 H52 Br2 N2 O4 Zn2 -","- C32 H52 Br2 N2 O4 Zn2 -","- C64 H104 Br4 N4 O8 Zn4 -","2","0.5","","Greco, Jeffrey F.; McNevin, Michael J.; Shoemaker, Richard K.; Hagadorn, John R.","Solid- and Solution-Phase Structures of Zinc Enolates of Amides and Ketones","Organometallics","2008","27","8","1948","","10.1021/om800070j","","","0.71073","MoKα","","0.1715","0.08","","","0.1724","0.2144","","","","","","0.951","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071271","8.123","0.004","12.489","0.006","16.18","0.007","90","","101.256","0.01","90","","1609.9","1.3","147","2","147","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{BrZn[OC(=CH2)Mes](dmf)}2, (3b)","","","- C28 H40 Br2 N2 O4 Zn2 -","- C28 H40 Br2 N2 O4 Zn2 -","- C56 H80 Br4 N4 O8 Zn4 -","2","0.5","","Greco, Jeffrey F.; McNevin, Michael J.; Shoemaker, Richard K.; Hagadorn, John R.","Solid- and Solution-Phase Structures of Zinc Enolates of Amides and Ketones","Organometallics","2008","27","8","1948","","10.1021/om800070j","","","0.71073","MoKα","","0.147","0.0749","","","0.1737","0.214","","","","","","0.945","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071272","9.5142","0.0009","30.774","0.003","10.501","0.001","90","","116.33","0.002","90","","2755.6","0.5","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H34 N V -","- C37 H34 N V -","- C148 H136 N4 V4 -","4","1","","Liu, Guohua; Lu, Xiaoquan; Gagliardo, Marcella; Beetstra, Dirk J.; Meetsma, Auke; Hessen, Bart","Vanadium (β-(Dimethylamino)ethyl)cyclopentadienyl Complexes with Diphenylacetylene Ligands","Organometallics","2008","27","10","2316","","10.1021/om8000718","","","0.71073","MoKα","","0.0889","0.0678","","","0.1465","0.1612","","","","","","0.986","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071273","9.8641","0.0005","12.5338","0.0006","13.7462","0.0006","102.128","0.001","107.478","0.001","108.072","0.001","1452.33","0.12","173","2","173","2","","","","","","","","7","P -1","-P 1","2","Bis(1,2-azaborolyl) yttrium alkyl","","","- C28 H41 B2 N2 O Si Y -","- C28 H41 B2 N2 O Si Y -","- C56 H82 B4 N4 O2 Si2 Y2 -","2","1","","Fang, Xiangdong; Deng, Yuanfu; Xie, Qinxing; Moingeon, Firmin","A Bis(1,2-Azaborolyl)yttrium Alkyl Complex: Synthesis, Structure, and Polymerization Study","Organometallics","2008","27","13","2892","","10.1021/om800073s","","","0.71073","MoKα","","0.0576","0.0412","","","0.0952","0.103","","","","","","1.013","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071274","7.467","0.003","13.096","0.004","17.923","0.004","90","","90","","90","","1752.7","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 Cl2 P Ru -","- C15 H25 Cl2 P Ru -","- C60 H100 Cl8 P4 Ru4 -","4","1","","Aznar, Rosario; Muller, Guillermo; Sainz, Daniel; Font-Bardia, Mercè; Solans, Xavier","Synthesis and Reactivity of P-Chiral Tethered (η1:η6-phosphinoarene)ruthenium Complexes","Organometallics","2008","27","9","1967","","10.1021/om800076x","","","0.71073","MoKα","","0.0316","0.0316","","","0.0864","0.0864","","","","","","1.178","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071275","15.333","0.005","10.876","0.003","17.09","0.005","90","","112.554","0.005","90","","2632","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 Fe2 O6 P S2 -","- C25 H17 Fe2 O6 P S2 -","- C100 H68 Fe8 O24 P4 S8 -","4","1","","Song, Li-Cheng; Zeng, Guang-Huai; Lou, Shao-Xia; Zan, Hui-Ning; Ming, Jiang-Bo; Hu, Qing-Mei","Synthetic and Structural Studies of Butterfly Fe/S/P Cluster Complexes Related to the Active Site of [FeFe]-Hydrogenases. Proton Reduction to H2Catalyzed by (η1-Ph2PS-η1)2Fe2(CO)6","Organometallics","2008","27","15","3714","","10.1021/om800077c","","","0.71073","MoKα","","0.1332","0.0552","","","0.0734","0.0896","","","","","","0.961","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071276","9.991","0.004","11.558","0.005","14.893","0.006","71.732","0.007","88.952","0.007","70.292","0.007","1530.1","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H20 Fe2 O6 P2 S2 -","- C30 H20 Fe2 O6 P2 S2 -","- C60 H40 Fe4 O12 P4 S4 -","2","1","","Song, Li-Cheng; Zeng, Guang-Huai; Lou, Shao-Xia; Zan, Hui-Ning; Ming, Jiang-Bo; Hu, Qing-Mei","Synthetic and Structural Studies of Butterfly Fe/S/P Cluster Complexes Related to the Active Site of [FeFe]-Hydrogenases. Proton Reduction to H2Catalyzed by (η1-Ph2PS-η1)2Fe2(CO)6","Organometallics","2008","27","15","3714","","10.1021/om800077c","","","0.71073","MoKα","","0.1051","0.0494","","","0.0945","0.1251","","","","","","0.992","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071277","10.268","0.004","15.146","0.007","20.165","0.009","90","","98.215","0.007","90","","3104","2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C25 H13 Fe4 O12 P S2 -","- C25 H13 Fe4 O12 P S2 -","- C100 H52 Fe16 O48 P4 S8 -","4","1","","Song, Li-Cheng; Zeng, Guang-Huai; Lou, Shao-Xia; Zan, Hui-Ning; Ming, Jiang-Bo; Hu, Qing-Mei","Synthetic and Structural Studies of Butterfly Fe/S/P Cluster Complexes Related to the Active Site of [FeFe]-Hydrogenases. Proton Reduction to H2Catalyzed by (η1-Ph2PS-η1)2Fe2(CO)6","Organometallics","2008","27","15","3714","","10.1021/om800077c","","","0.71073","MoKα","","0.0856","0.049","","","0.071","0.0801","","","","","","1.043","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071278","18.3852","0.0011","8.1284","0.0003","16.4522","0.001","90","","96.183","0.002","90","","2444.4","0.2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H38 Cl2 Si2 Ti -","- C22 H38 Cl2 Si2 Ti -","- C88 H152 Cl8 Si8 Ti4 -","4","0.5","","Horáček, Michal; Pinkas, Jiří; Gyepes, Róbert; Kubišta, Jiří; Mach, Karel","Reactivity of SiMe2H Substituents in Permethylated Titanocene Complexes: Dehydrocoupling and Ethene Hydrosilylation","Organometallics","2008","27","11","2635","","10.1021/om8000789","","","0.71073","MoKα","","0.0527","0.036","","","0.0745","0.0822","","","","","","1.038","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071279","9.0743","0.0002","11.6767","0.0004","16.9712","0.0005","77.7294","0.0014","75.2076","0.0016","75.1488","0.0018","1659.61","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H54 Si4 Ti -","- C30 H54 Si4 Ti -","- C60 H108 Si8 Ti2 -","2","1","","Horáček, Michal; Pinkas, Jiří; Gyepes, Róbert; Kubišta, Jiří; Mach, Karel","Reactivity of SiMe2H Substituents in Permethylated Titanocene Complexes: Dehydrocoupling and Ethene Hydrosilylation","Organometallics","2008","27","11","2635","","10.1021/om8000789","","","0.71073","MoKα","","0.0709","0.044","","","0.0955","0.107","","","","","","1.024","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071280","14.8534","0.0004","9.8688","0.0004","16.7163","0.0007","90","","109.387","0.003","90","","2311.42","0.15","150","2","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H36 Cl Si2 Ti -","- C22 H36 Cl Si2 Ti -","- C88 H144 Cl4 Si8 Ti4 -","4","0.5","","Horáček, Michal; Pinkas, Jiří; Gyepes, Róbert; Kubišta, Jiří; Mach, Karel","Reactivity of SiMe2H Substituents in Permethylated Titanocene Complexes: Dehydrocoupling and Ethene Hydrosilylation","Organometallics","2008","27","11","2635","","10.1021/om8000789","","","0.71073","MoKα","","0.0626","0.0382","","","0.0829","0.0923","","","","","","1.021","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071281","15.3632","0.0015","41.914","0.0009","8.552","0.0009","90","","90","","90","","5506.9","0.8","173","2","173","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C32 H40 N2 -","- C32 H40 N2 -","- C256 H320 N16 -","8","0.5","","Chitanda, Jackson M.; Prokopchuk, Demyan E.; Quail, J. Wilson; Foley, Stephen R.","From Pyrroles to Isoindolines: Synthesis of a γ-Diimine Ligand for Applications in Palladium Coordination Chemistry and Catalysis","Organometallics","2008","27","10","2337","","10.1021/om800080e","","","0.71073","MoKα","","0.0973","0.0848","","","0.1899","0.1981","","","","","","1.065","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071282","18.3891","0.0006","14.901","0.0005","12.2811","0.0004","90","","94.906","0.002","90","","3352.89","0.19","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N O -","- C20 H23 N O -","- C160 H184 N8 O8 -","8","1","","Chitanda, Jackson M.; Prokopchuk, Demyan E.; Quail, J. Wilson; Foley, Stephen R.","From Pyrroles to Isoindolines: Synthesis of a γ-Diimine Ligand for Applications in Palladium Coordination Chemistry and Catalysis","Organometallics","2008","27","10","2337","","10.1021/om800080e","","","0.71073","MoKα","","0.0743","0.0478","","","0.109","0.1242","","","","","","1.017","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071283","10.983","0.002","14.196","0.003","11.017","0.002","90","","106.04","0.03","90","","1650.8","0.6","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C33 H42 Cl4 N2 -","- C33 H42 Cl4 N2 -","- C66 H84 Cl8 N4 -","2","0.5","","Chitanda, Jackson M.; Prokopchuk, Demyan E.; Quail, J. Wilson; Foley, Stephen R.","From Pyrroles to Isoindolines: Synthesis of a γ-Diimine Ligand for Applications in Palladium Coordination Chemistry and Catalysis","Organometallics","2008","27","10","2337","","10.1021/om800080e","","","0.71073","MoKα","","0.081","0.0637","","","0.1587","0.1687","","","","","","1.058","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071284","12.521","0.0003","10.182","0.0002","27.5197","0.0006","90","","94.7006","0.0008","90","","3496.65","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C66 H82 Cl10 N4 Pd2 -","- C66 H82 Cl10 N4 Pd2 -","- C132 H164 Cl20 N8 Pd4 -","2","0.5","","Chitanda, Jackson M.; Prokopchuk, Demyan E.; Quail, J. Wilson; Foley, Stephen R.","From Pyrroles to Isoindolines: Synthesis of a γ-Diimine Ligand for Applications in Palladium Coordination Chemistry and Catalysis","Organometallics","2008","27","10","2337","","10.1021/om800080e","","","0.71073","MoKα","","0.0949","0.051","","","0.0809","0.0954","","","","","","1.023","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071285","13.101","0.003","29.389","0.006","10.898","0.002","90","","90","","90","","4196","1.5","173","2","173","2","","","","","","","","6","P n n 2","P 2 -2n","34","","","","- C74 H94 Cl4 N4 O8 Pd3 -","- C74 H94 Cl4 N4 O8 Pd3 -","- C148 H188 Cl8 N8 O16 Pd6 -","2","0.5","","Chitanda, Jackson M.; Prokopchuk, Demyan E.; Quail, J. Wilson; Foley, Stephen R.","From Pyrroles to Isoindolines: Synthesis of a γ-Diimine Ligand for Applications in Palladium Coordination Chemistry and Catalysis","Organometallics","2008","27","10","2337","","10.1021/om800080e","","","0.71073","MoKα","","0.0544","0.0444","","","0.1106","0.1167","","","","","","1.034","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071286","11.234","0.0017","11.493","0.003","15.8389","0.0013","90","","103.231","0.004","90","","1990.7","0.6","123","2","120","2","","","","","","","","7","P 1 21 1","P 2yb","4","[RhCl(1,5-COD)(phosphoramidite)]","","","- C45 H44 Cl3 N O2 P Rh -","- C45 H44 Cl3 N O2 P Rh -","- C90 H88 Cl6 N2 O4 P2 Rh2 -","2","1","","Filipuzzi, Serena; Männel, Elisabeth; Pregosin, Paul S.; Albinati, Alberto; Rizzato, Silvia; Veiros, Luis F.","Multinuclear NMR, X-ray, and DFT Studies on RhCl(diene)(phosphoramidite) Complexes","Organometallics","2008","27","18","4580","","10.1021/om800082c","","","0.71073","MoKα","","0.0402","0.0355","","","0.0875","0.0905","","","","","","1.046","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071287","9.972","0.0016","7.6787","0.001","17.488","0.003","90","","92.638","0.015","90","","1337.7","0.4","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Al2 F12 O2 -","- C20 H18 Al2 F12 O2 -","- C40 H36 Al4 F24 O4 -","2","0.5","","Martínez, Gema; Pedrosa, Sergio; Tabernero, Vanessa; Mosquera, Marta E. G.; Cuenca, Tomás","Controlled Synthesis of Novel Aryloxide Polynuclear Aluminum Species. Study of Their Catalytic Properties in Polymerization Processes†","Organometallics","2008","27","10","2300","","10.1021/om800086a","","","0.71073","MoKα","","0.096","0.0555","","","0.1405","0.1593","","","","","","1.052","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071288","16.923","0.0015","17.111","0.003","17.928","0.003","90","","116.438","0.012","90","","4648.5","1.3","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C37 H27 Al3 F24 O4 -","- C37 H27 Al3 F24 O4 -","- C148 H108 Al12 F96 O16 -","4","1","","Martínez, Gema; Pedrosa, Sergio; Tabernero, Vanessa; Mosquera, Marta E. G.; Cuenca, Tomás","Controlled Synthesis of Novel Aryloxide Polynuclear Aluminum Species. Study of Their Catalytic Properties in Polymerization Processes†","Organometallics","2008","27","10","2300","","10.1021/om800086a","","","0.71069","MoKα","","0.1087","0.0595","","","0.1524","0.187","","","","","","1.026","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071289","17.285","0.004","12.598","0.003","30.701","0.006","90","","90.248","0.013","90","","6685","3","200","","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H36 Al4 F36 O6 -","- C54 H36 Al4 F36 O6 -","- C216 H144 Al16 F144 O24 -","4","1","","Martínez, Gema; Pedrosa, Sergio; Tabernero, Vanessa; Mosquera, Marta E. G.; Cuenca, Tomás","Controlled Synthesis of Novel Aryloxide Polynuclear Aluminum Species. Study of Their Catalytic Properties in Polymerization Processes†","Organometallics","2008","27","10","2300","","10.1021/om800086a","","x-ray","0.71073","MoKα","","0.125","0.0746","","","0.1736","0.214","","","","","","1.029","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071290","8.762","0.002","12.581","0.003","12.814","0.002","90","","132.979","0.009","90","","1033.4","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H19 Fe0.5 P2 -","- C7 H19 Fe0.5 P2 -","- C28 H76 Fe2 P8 -","4","1","","Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.; Jensen, Paul; Turnbull, Anthony J.; Willis, Anthony C.","Addition of CO2to Alkyl Iron Complexes, Fe(PP)2Me2","Organometallics","2008","27","9","2092","","10.1021/om800091a","","","0.71073","MoKα","","0.0604","0.0531","","","0.1306","0.1361","","","","","","1.093","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071291","8.99","0.001","8.99","0.001","28.589","0.003","90","","90","","90","","2310.6","0.4","150","2","150","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C16 H38 Fe O4 P4 -","- C16 H38 Fe O4 P4 -","- C64 H152 Fe4 O16 P16 -","4","0.5","","Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.; Jensen, Paul; Turnbull, Anthony J.; Willis, Anthony C.","Addition of CO2to Alkyl Iron Complexes, Fe(PP)2Me2","Organometallics","2008","27","9","2092","","10.1021/om800091a","","","0.71073","MoKα","","0.018","0.0174","","","0.0485","0.0488","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071292","16.5175","0.0003","16.1088","0.0003","16.6269","0.0003","90","","90","","90","","4424.04","0.14","200","","200","","","","","","","","from UNSW","5","P b c a","-P 2ac 2ab","61","","","","- C14 H34 Fe O6 P4 -","- C14 H34.0016 Fe O6 P4 -","- C112 H272.013 Fe8 O48 P32 -","8","1","","Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.; Jensen, Paul; Turnbull, Anthony J.; Willis, Anthony C.","Addition of CO2to Alkyl Iron Complexes, Fe(PP)2Me2","Organometallics","2008","27","9","2092","","10.1021/om800091a","","","0.71073","MoKα","","0.0785","0.0384","","0.1174","0.0917","0.1174","","","","","","1.0039","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071293","7.593","0.0004","10.2012","0.0004","19.5659","0.001","77.903","0.002","89.807","0.002","68.634","0.004","1375.59","0.12","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H54 Fe P4 -","- C22 H54 Fe P4 -","- C44 H108 Fe2 P8 -","2","1","","Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.; Jensen, Paul; Turnbull, Anthony J.; Willis, Anthony C.","Addition of CO2to Alkyl Iron Complexes, Fe(PP)2Me2","Organometallics","2008","27","9","2092","","10.1021/om800091a","","","0.71073","MoKα","","0.0686","0.0565","","","0.1025","0.1069","","","","","","1.123","","","","has coordinates,has disorder","178601","2020-10-21","18:00:00",""
"4071294","17.3563","0.0004","22.1987","0.0006","24.0438","0.0006","90","","90","","90","","9263.8","0.4","223","2","223","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C46 H71 B Fe O2 P4 -","- C46 H71 B Fe O2 P4 -","- C368 H568 B8 Fe8 O16 P32 -","8","0.5","","Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.; Jensen, Paul; Turnbull, Anthony J.; Willis, Anthony C.","Addition of CO2to Alkyl Iron Complexes, Fe(PP)2Me2","Organometallics","2008","27","9","2092","","10.1021/om800091a","","","0.71073","MoKα","","0.0771","0.0567","","","0.1325","0.1545","","","","","","1.088","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071295","18.149","0.005","12.499","0.004","32.399","0.01","90","","101.773","0.007","90","","7195","4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C70 H109 N8 Ni Sn4 -","- C70 H109 N8 Ni Sn4 -","- C280 H436 N32 Ni4 Sn16 -","4","1","","Zabula, Alexander V.; Pape, Tania; Hepp, Alexander; Hahn, F. Ekkehardt","Homoleptic Complexes of Bisstannylenes with Nickel(0): Synthesis, X-Ray Diffraction Studies, and119Sn NMR Investigations","Organometallics","2008","27","12","2756","","10.1021/om800096f","","","0.71073","MoKα","","0.1467","0.0707","","","0.1044","0.1259","","","","","","0.976","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071296","13.673","0.004","15.729","0.004","18.926","0.005","113.997","0.005","90.057","0.005","94.065","0.005","3707.1","1.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H108 N8 Ni O4 Sn4 -","- C76 H108 N8 Ni O4 Sn4 -","- C152 H216 N16 Ni2 O8 Sn8 -","2","1","","Zabula, Alexander V.; Pape, Tania; Hepp, Alexander; Hahn, F. Ekkehardt","Homoleptic Complexes of Bisstannylenes with Nickel(0): Synthesis, X-Ray Diffraction Studies, and119Sn NMR Investigations","Organometallics","2008","27","12","2756","","10.1021/om800096f","","","0.71073","MoKα","","0.11","0.0725","","","0.172","0.1922","","","","","","1.023","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071297","7.4606","0.0006","11.4975","0.0009","13.9387","0.0011","109.77","0.001","90.049","0.001","107.679","0.001","1064.85","0.15","187","2","187","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H26 Cl2 N O3 V -","- C21 H26 Cl2 N O3 V -","- C42 H52 Cl4 N2 O6 V2 -","2","1","","Wu, Ji-Qian; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis, Structural Characterization, and Ethylene Polymerization Behavior of the Vanadium(III) Complexes Bearing Salicylaldiminato Ligands","Organometallics","2008","27","15","3840","","10.1021/om800097b","","","0.71073","MoKα","","0.0457","0.0398","","","0.0998","0.1041","","","","","","1.04","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071298","7.6147","0.0009","12.0671","0.0014","13.7396","0.0016","67.631","0.002","85.279","0.002","86.104","0.002","1162.6","0.2","187","2","187","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H25 Cl2 F3 N O3 V -","- C22 H25 Cl2 F3 N O3 V -","- C44 H50 Cl4 F6 N2 O6 V2 -","2","1","","Wu, Ji-Qian; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis, Structural Characterization, and Ethylene Polymerization Behavior of the Vanadium(III) Complexes Bearing Salicylaldiminato Ligands","Organometallics","2008","27","15","3840","","10.1021/om800097b","","","0.71073","MoKα","","0.0687","0.0499","","","0.1157","0.1255","","","","","","1.054","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071299","7.5894","0.0008","13.7589","0.0014","24.542","0.003","90","","96.35","0.002","90","","2547","0.5","187","2","187","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Cl2 N O3 V -","- C25 H34 Cl2 N O3 V -","- C100 H136 Cl8 N4 O12 V4 -","4","1","","Wu, Ji-Qian; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis, Structural Characterization, and Ethylene Polymerization Behavior of the Vanadium(III) Complexes Bearing Salicylaldiminato Ligands","Organometallics","2008","27","15","3840","","10.1021/om800097b","","","0.71073","MoKα","","0.1686","0.0704","","","0.0859","0.1016","","","","","","0.921","","","","has coordinates","178601","2020-10-21","18:00:00",""
"4071300","10.7986","0.0013","21.683","0.003","12.8415","0.0015","90","","91.601","0.002","90","","3005.6","0.7","187","2","187","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H42 Cl2 N O3 V -","- C29 H42 Cl2 N O3 V -","- C116 H168 Cl8 N4 O12 V4 -","4","1","","Wu, Ji-Qian; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis, Structural Characterization, and Ethylene Polymerization Behavior of the Vanadium(III) Complexes Bearing Salicylaldiminato Ligands","Organometallics","2008","27","15","3840","","10.1021/om800097b","","","0.71073","MoKα","","0.1242","0.0649","","","0.1057","0.1259","","","","","","0.988","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071301","7.7892","0.0007","11.996","0.0011","13.9022","0.0013","106.917","0.001","92.699","0.001","103.18","0.001","1201.06","0.19","187","2","187","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H24 Br2 Cl2 N O3 V -","- C21 H24 Br2 Cl2 N O3 V -","- C42 H48 Br4 Cl4 N2 O6 V2 -","2","1","","Wu, Ji-Qian; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis, Structural Characterization, and Ethylene Polymerization Behavior of the Vanadium(III) Complexes Bearing Salicylaldiminato Ligands","Organometallics","2008","27","15","3840","","10.1021/om800097b","","","0.71073","MoKα","","0.0406","0.033","","","0.0853","0.0895","","","","","","1.058","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071302","26.2027","0.0016","14.525","0.0009","27.0211","0.0017","90","","117.508","0.001","90","","9121.4","1","187","2","187","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 Cl F6 N2 O3 V -","- C32 H26 Cl F6 N2 O3 V -","- C384 H312 Cl12 F72 N24 O36 V12 -","12","1.5","","Wu, Ji-Qian; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis, Structural Characterization, and Ethylene Polymerization Behavior of the Vanadium(III) Complexes Bearing Salicylaldiminato Ligands","Organometallics","2008","27","15","3840","","10.1021/om800097b","","","0.71073","MoKα","","0.0856","0.0556","","","0.1274","0.1434","","","","","","1.009","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071303","12.3342","0.0007","13.3442","0.0007","17.9276","0.001","90","","103.048","0.001","90","","2874.5","0.3","187","2","187","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 Cl N2 O3 V -","- C32 H32 Cl N2 O3 V -","- C128 H128 Cl4 N8 O12 V4 -","4","1","","Wu, Ji-Qian; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis, Structural Characterization, and Ethylene Polymerization Behavior of the Vanadium(III) Complexes Bearing Salicylaldiminato Ligands","Organometallics","2008","27","15","3840","","10.1021/om800097b","","","0.71073","MoKα","","0.051","0.0426","","","0.133","0.1433","","","","","","1.101","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071304","11.6439","0.0008","22.3741","0.0016","14.8894","0.0011","90","","93.753","0.002","90","","3870.7","0.5","187","2","187","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 Cl N2 O3 V -","- C42 H52 Cl N2 O3 V -","- C168 H208 Cl4 N8 O12 V4 -","4","1","","Wu, Ji-Qian; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis, Structural Characterization, and Ethylene Polymerization Behavior of the Vanadium(III) Complexes Bearing Salicylaldiminato Ligands","Organometallics","2008","27","15","3840","","10.1021/om800097b","","","0.71073","MoKα","","0.1061","0.0584","","","0.1185","0.1377","","","","","","0.99","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071305","17.673","0.003","27.429","0.005","11.828","0.0019","90","","93.019","0.004","90","","5725.7","1.7","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C58 H83 Cl N2 O3 V -","- C54 H76 Cl N2 O2 V -","- C216 H304 Cl4 N8 O8 V4 -","4","0.5","","Wu, Ji-Qian; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis, Structural Characterization, and Ethylene Polymerization Behavior of the Vanadium(III) Complexes Bearing Salicylaldiminato Ligands","Organometallics","2008","27","15","3840","","10.1021/om800097b","","","0.71073","MoKα","","0.2364","0.1185","","","0.3157","0.3802","","","","","","0.995","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071306","23.1831","0.0018","10.0939","0.0008","16.7657","0.0013","90","","101.755","0.001","90","","3841","0.5","185","2","185","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C38 H40 Br4 Cl N2 O5 V -","- C38 H40 Br4 Cl N2 O5 V -","- C152 H160 Br16 Cl4 N8 O20 V4 -","4","0.5","","Wu, Ji-Qian; Pan, Li; Hu, Ning-Hai; Li, Yue-Sheng","Synthesis, Structural Characterization, and Ethylene Polymerization Behavior of the Vanadium(III) Complexes Bearing Salicylaldiminato Ligands","Organometallics","2008","27","15","3840","","10.1021/om800097b","","","0.71073","MoKα","","0.0374","0.029","","","0.0715","0.0754","","","","","","1.033","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071307","13.962","0.004","15.735","0.004","15.131","0.005","90","","109.378","0.001","90","","3135.8","1.6","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C37 H43 N2 O P S -","- C37 H43 N2 O P S -","- C148 H172 N8 O4 P4 S4 -","4","1","","Nakabuchi, Takashi; Matano, Yoshihiro; Imahori, Hiroshi","Synthesis, Structures, and Coordinating Properties of Phosphole-Containing Hybrid Calixpyrroles","Organometallics","2008","27","13","3142","","10.1021/om800099h","","","0.7107","MoKα","","0.0478","0.0414","","","0.0755","0.0785","","","","","","1.002","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071308","10.386","0.005","10.593","0.005","16.052","0.008","81.068","0.015","79.756","0.015","77.56","0.014","1684.5","1.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H43 N2 P S2 -","- C37 H43 N2 P S2 -","- C74 H86 N4 P2 S4 -","2","1","","Nakabuchi, Takashi; Matano, Yoshihiro; Imahori, Hiroshi","Synthesis, Structures, and Coordinating Properties of Phosphole-Containing Hybrid Calixpyrroles","Organometallics","2008","27","13","3142","","10.1021/om800099h","","","0.7107","MoKα","","0.0853","0.0616","","","0.1499","0.1573","","","","","","1.001","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071309","12.0427","0.0017","14.638","0.002","19.781","0.003","90","","103.936","0.001","90","","3384.4","0.8","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H43 Au Cl N2 P S -","- C37 H43 Au Cl N2 P S -","- C148 H172 Au4 Cl4 N8 P4 S4 -","4","1","","Nakabuchi, Takashi; Matano, Yoshihiro; Imahori, Hiroshi","Synthesis, Structures, and Coordinating Properties of Phosphole-Containing Hybrid Calixpyrroles","Organometallics","2008","27","13","3142","","10.1021/om800099h","","","0.7107","MoKα","","0.0308","0.0286","","","0.0528","0.0545","","","","","","1.033","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071310","12.5038","0.0016","13.0739","0.0016","20.303","0.003","90","","99.716","0.0005","90","","3271.4","0.8","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H43 Au Cl N2 P S -","- C37 H43 Au Cl N2 P S -","- C148 H172 Au4 Cl4 N8 P4 S4 -","4","1","","Nakabuchi, Takashi; Matano, Yoshihiro; Imahori, Hiroshi","Synthesis, Structures, and Coordinating Properties of Phosphole-Containing Hybrid Calixpyrroles","Organometallics","2008","27","13","3142","","10.1021/om800099h","","","0.7107","MoKα","","0.0221","0.0197","","","0.0388","0.0397","","","","","","1.001","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071311","12.9763","0.0017","16.01","0.002","19.146","0.003","81.601","0.005","83.493","0.006","70.065","0.004","3690.5","0.9","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H90 Cl6 N4 P2 Pt S2 -","- C76 H90 Cl6 N4 P2 Pt S2 -","- C152 H180 Cl12 N8 P4 Pt2 S4 -","2","1","","Nakabuchi, Takashi; Matano, Yoshihiro; Imahori, Hiroshi","Synthesis, Structures, and Coordinating Properties of Phosphole-Containing Hybrid Calixpyrroles","Organometallics","2008","27","13","3142","","10.1021/om800099h","","","0.7107","MoKα","","0.0541","0.0485","","","0.1097","0.1128","","","","","","1.036","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071312","17.7327","0.0018","15.9055","0.0017","24.023","0.003","90","","90.823","0.002","90","","6774.9","1.3","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C74 H86 Cl2 N4 P2 Pt S2 -","- C74 H86 Cl2 N4 P2 Pt S2 -","- C296 H344 Cl8 N16 P8 Pt4 S8 -","4","1","","Nakabuchi, Takashi; Matano, Yoshihiro; Imahori, Hiroshi","Synthesis, Structures, and Coordinating Properties of Phosphole-Containing Hybrid Calixpyrroles","Organometallics","2008","27","13","3142","","10.1021/om800099h","","","0.7107","MoKα","","0.0309","0.0284","","","0.0631","0.0644","","","","","","1.059","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071313","13.0181","0.001","16.1257","0.0013","19.4032","0.0017","83.596","0.003","82.667","0.003","70.28","0.002","3792.8","0.5","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C75 H88 Cl4 N4 P2 Pd S2 -","- C75 H88 Cl4 N4 P2 Pd S2 -","- C150 H176 Cl8 N8 P4 Pd2 S4 -","2","1","","Nakabuchi, Takashi; Matano, Yoshihiro; Imahori, Hiroshi","Synthesis, Structures, and Coordinating Properties of Phosphole-Containing Hybrid Calixpyrroles","Organometallics","2008","27","13","3142","","10.1021/om800099h","","","0.7107","MoKα","","0.0539","0.0503","","","0.1439","0.1471","","","","","","1.014","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071314","14.0389","0.001","15.8468","0.0013","17.5829","0.0011","88.576","0.003","71.269","0.002","84.408","0.002","3686.8","0.5","123","2","123","2","","","","","","","","7","P 1","P 1","1","","","","- C149 H174 Cl6 N8 P4 Pd2 S4 -","- C149 H174 Cl6 N8 P4 Pd2 S4 -","- C149 H174 Cl6 N8 P4 Pd2 S4 -","1","1","","Nakabuchi, Takashi; Matano, Yoshihiro; Imahori, Hiroshi","Synthesis, Structures, and Coordinating Properties of Phosphole-Containing Hybrid Calixpyrroles","Organometallics","2008","27","13","3142","","10.1021/om800099h","","","0.7107","MoKα","","0.0313","0.0306","","","0.0721","0.0725","","","","","","1.051","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071315","12.192","0.002","15.576","0.003","15.974","0.003","83.363","0.004","69.356","0.004","89.615","0.004","2817.8","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H86 N6 P2 Si6 Sn2 -","- C36 H77 N6 P2 Si6 Sn2 -","- C72 H154 N12 P4 Si12 Sn4 -","2","1","","Leung, Wing-Por; Chan, Ka-Po; Kan, Kwok-Wai; Mak, Thomas C. W.","Synthesis of Heteroleptic Tin(II) and Lead(II) Compounds from Pyrazyl-Linked Bisphosphoranoimine","Organometallics","2008","27","12","2767","","10.1021/om800104x","","","0.71073","MoKα","","0.0607","0.0384","","","0.097","0.1105","","","","","","1.065","","","","has coordinates,has disorder","178602","2020-10-21","18:00:00",""
"4071316","12.4223","0.0015","15.818","0.002","16.737","0.002","66.813","0.002","75.262","0.002","69.288","0.002","2802.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H86 N6 P2 Pb2 Si6 -","- C36 H86 N6 P2 Pb2 Si6 -","- C72 H172 N12 P4 Pb4 Si12 -","2","1","","Leung, Wing-Por; Chan, Ka-Po; Kan, Kwok-Wai; Mak, Thomas C. W.","Synthesis of Heteroleptic Tin(II) and Lead(II) Compounds from Pyrazyl-Linked Bisphosphoranoimine","Organometallics","2008","27","12","2767","","10.1021/om800104x","","","0.71073","MoKα","","0.0703","0.0446","","","0.1146","0.1309","","","","","","1.034","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071317","10.186","0.002","15.616","0.003","18.308","0.004","105.08","0.03","99.53","0.03","108.25","0.03","2571.7","1.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H82 Li2 N4 O4 P2 Si2 -","- C40 H82 Li2 N4 O4 P2 Si2 -","- C80 H164 Li4 N8 O8 P4 Si4 -","2","1","","Leung, Wing-Por; Chan, Ka-Po; Kan, Kwok-Wai; Mak, Thomas C. W.","Synthesis of Heteroleptic Tin(II) and Lead(II) Compounds from Pyrazyl-Linked Bisphosphoranoimine","Organometallics","2008","27","12","2767","","10.1021/om800104x","","","0.71073","MoKα","","0.1806","0.0699","","","0.178","0.2272","","","","","","0.994","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071318","12.667","0.002","21.268","0.004","13.067","0.002","90","","111.222","0.003","90","","3281.5","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H50 N4 P2 Si2 Sn -","- C24 H50 N4 P2 Si2 Sn -","- C96 H200 N16 P8 Si8 Sn4 -","4","1","","Leung, Wing-Por; Chan, Ka-Po; Kan, Kwok-Wai; Mak, Thomas C. W.","Synthesis of Heteroleptic Tin(II) and Lead(II) Compounds from Pyrazyl-Linked Bisphosphoranoimine","Organometallics","2008","27","12","2767","","10.1021/om800104x","","","0.71073","MoKα","","0.0453","0.0321","","","0.0816","0.0896","","","","","","1.093","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071319","13.704","0.003","16.533","0.003","16.125","0.003","90","","92.341","0.004","90","","3650.4","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H50 Cl2 N4 P2 Si2 Sn2 -","- C24 H50 Cl2 N4 P2 Si2 Sn2 -","- C96 H200 Cl8 N16 P8 Si8 Sn8 -","4","1","","Leung, Wing-Por; Chan, Ka-Po; Kan, Kwok-Wai; Mak, Thomas C. W.","Synthesis of Heteroleptic Tin(II) and Lead(II) Compounds from Pyrazyl-Linked Bisphosphoranoimine","Organometallics","2008","27","12","2767","","10.1021/om800104x","","","0.71073","MoKα","","0.0846","0.0364","","","0.0784","0.1007","","","","","","1.012","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071320","17.645","0.007","16.011","0.006","15.407","0.006","90","","102.609","0.007","90","","4248","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H60 N4 P2 Si2 Sn2 -","- C34 H46 N4 P2 Si2 Sn2 -","- C136 H184 N16 P8 Si8 Sn8 -","4","1","","Leung, Wing-Por; Chan, Ka-Po; Kan, Kwok-Wai; Mak, Thomas C. W.","Synthesis of Heteroleptic Tin(II) and Lead(II) Compounds from Pyrazyl-Linked Bisphosphoranoimine","Organometallics","2008","27","12","2767","","10.1021/om800104x","","","0.71073","MoKα","","0.138","0.0557","","","0.1379","0.1849","","","","","","0.996","","","","has coordinates,has disorder","178602","2020-10-21","18:00:00",""
"4071321","9.158","0.0002","10.9628","0.0002","16.0184","0.0002","77.2924","0.001","76.9733","0.0011","69.1103","0.001","1446.51","0.05","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H41 Cl2 N2 P Pt -","- C25 H41 Cl2 N2 P Pt -","- C50 H82 Cl4 N4 P2 Pt2 -","2","1","","Vuzman, Dana; Poverenov, Elena; Shimon, Linda J. W.; Diskin-Posner, Yael; Milstein, David","Cationic, Neutral, and Anionic Platinum(II) Complexes Based on an Electron-Rich PNN Ligand. New Modes of Reactivity Based on Pincer Hemilability and Dearomatization","Organometallics","2008","27","11","2627","","10.1021/om8001069","","","0.71073","MoKα","","0.0365","0.0326","","","0.0911","0.0943","","","","","","1.086","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071322","12.6781","0.0003","10.0244","0.0002","20.893","0.0006","90","","102.328","0.0013","90","","2594.07","0.11","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H40 Cl N2 P Pt -","- C25 H40 Cl N2 P Pt -","- C100 H160 Cl4 N8 P4 Pt4 -","4","1","","Vuzman, Dana; Poverenov, Elena; Shimon, Linda J. W.; Diskin-Posner, Yael; Milstein, David","Cationic, Neutral, and Anionic Platinum(II) Complexes Based on an Electron-Rich PNN Ligand. New Modes of Reactivity Based on Pincer Hemilability and Dearomatization","Organometallics","2008","27","11","2627","","10.1021/om8001069","","","0.71073","MoKα","","0.0534","0.0317","","","0.0583","0.0628","","","","","","0.978","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071323","8.7643","0.0008","13.545","0.0012","15.1449","0.0013","90","","105.048","0.002","90","","1736.2","0.3","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H24 B Cl2 Hf N -","- C15 H24 B Cl2 Hf N -","- C60 H96 B4 Cl8 Hf4 N4 -","4","1","","Fang, Xiangdong; Assoud, Jalil","Anionic Multisubstituted 1,2-Azaborolyl Ligands: Syntheses, Characterization, and Coordination Chemistry","Organometallics","2008","27","11","2408","","10.1021/om8001075","","","0.71073","MoKα","","0.0181","0.0161","","","0.0387","0.04","","","","","","0.897","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071324","15.6914","0.0006","8.8419","0.0003","14.6448","0.0006","90","","95.747","0.002","90","","2021.63","0.13","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Cl N2 Rh -","- C23 H26 Cl N2 Rh -","- C92 H104 Cl4 N8 Rh4 -","4","1","","Song, Guoyong; Zhang, Yao; Li, Xingwei","Rhodium and Iridium Complexes of Abnormal N-Heterocyclic Carbenes Derived from Imidazo[1,2-a]pyridine","Organometallics","2008","27","8","1936","","10.1021/om800109a","","","0.71073","MoKα","","0.0338","0.0261","","","0.071","0.0793","","","","","","1.089","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071325","14.2118","0.0006","8.7062","0.0003","15.8811","0.0006","90","","110.789","0.002","90","","1837.05","0.12","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Cl F3 Ir N2 O2 -","- C18 H13 Cl F3 Ir N2 O2 -","- C72 H52 Cl4 F12 Ir4 N8 O8 -","4","1","","Song, Guoyong; Zhang, Yao; Li, Xingwei","Rhodium and Iridium Complexes of Abnormal N-Heterocyclic Carbenes Derived from Imidazo[1,2-a]pyridine","Organometallics","2008","27","8","1936","","10.1021/om800109a","","","0.71073","MoKα","","0.0365","0.0287","","","0.0718","0.0766","","","","","","1.044","","","","has coordinates,has disorder","178602","2020-10-21","18:00:00",""
"4071326","11.7872","0.0004","16.2148","0.0006","11.9178","0.0004","90","","102.218","0.002","90","","2226.22","0.14","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl F3 N2 Rh -","- C24 H25 Cl F3 N2 Rh -","- C96 H100 Cl4 F12 N8 Rh4 -","4","1","","Song, Guoyong; Zhang, Yao; Li, Xingwei","Rhodium and Iridium Complexes of Abnormal N-Heterocyclic Carbenes Derived from Imidazo[1,2-a]pyridine","Organometallics","2008","27","8","1936","","10.1021/om800109a","","","0.71073","MoKα","","0.0645","0.0555","","","0.1457","0.1528","","","","","","1.194","","","","has coordinates,has disorder","178602","2020-10-21","18:00:00",""
"4071327","21.4732","0.001","18.5585","0.0006","21.8116","0.001","90","","94.105","0.004","90","","8669.8","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H69 Cl15 I6 N8 Rh2 -","- C59 H69 Cl15 I6 N8 Rh2 -","- C236 H276 Cl60 I24 N32 Rh8 -","4","1","","Yang, Liangru; Krüger, Anneke; Neels, Antonia; Albrecht, Martin","Rhodium(III) Complexes Containing C4-Bound N-Heterocyclic Carbenes: Synthesis, Coordination Chemistry, and Catalytic Activity in Transfer Hydrogenation","Organometallics","2008","27","13","3161","","10.1021/om800110c","","","0.71073","MoKα","","0.0994","0.069","","","0.1929","0.2074","","","","","","0.981","","","","has coordinates,has disorder","178602","2020-10-21","18:00:00",""
"4071328","9.8916","0.0007","11.2101","0.0007","15.4797","0.001","105.961","0.005","95.541","0.005","103.501","0.005","1580.8","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H37 I3 N7 Rh -","- C23 H37 I3 N7 Rh -","- C46 H74 I6 N14 Rh2 -","2","1","","Yang, Liangru; Krüger, Anneke; Neels, Antonia; Albrecht, Martin","Rhodium(III) Complexes Containing C4-Bound N-Heterocyclic Carbenes: Synthesis, Coordination Chemistry, and Catalytic Activity in Transfer Hydrogenation","Organometallics","2008","27","13","3161","","10.1021/om800110c","","","0.71073","MoKα","","0.0314","0.0248","","","0.0584","0.0603","","","","","","1.044","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071329","12.2798","0.0008","14.1168","0.0009","15.6034","0.0011","62.889","0.005","66.075","0.005","79.759","0.005","2200.7","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H47 I3 N9 Rh -","- C37 H47 I3 N9 Rh -","- C74 H94 I6 N18 Rh2 -","2","1","","Yang, Liangru; Krüger, Anneke; Neels, Antonia; Albrecht, Martin","Rhodium(III) Complexes Containing C4-Bound N-Heterocyclic Carbenes: Synthesis, Coordination Chemistry, and Catalytic Activity in Transfer Hydrogenation","Organometallics","2008","27","13","3161","","10.1021/om800110c","","","0.71073","MoKα","","0.0293","0.0246","","","0.0639","0.0654","","","","","","1.031","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071330","22.766","0.0009","17.1487","0.001","18.2406","0.0007","90","","114.912","0.003","90","","6458.7","0.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H36 I3 N8 Rh -","- C23 H36 I3 N8 Rh -","- C184 H288 I24 N64 Rh8 -","8","1","","Yang, Liangru; Krüger, Anneke; Neels, Antonia; Albrecht, Martin","Rhodium(III) Complexes Containing C4-Bound N-Heterocyclic Carbenes: Synthesis, Coordination Chemistry, and Catalytic Activity in Transfer Hydrogenation","Organometallics","2008","27","13","3161","","10.1021/om800110c","","","0.71073","MoKα","","0.0448","0.0303","","","0.07","0.0732","","","","","","0.945","","","","has coordinates,has disorder","178602","2020-10-21","18:00:00",""
"4071331","11.2799","0.0006","12.3517","0.0006","15.2258","0.0008","102.957","0.004","101.685","0.004","94.4","0.004","2007.85","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H41.5 I3 N8.5 Rh -","- C34 H41.5 I3 N8.5 Rh -","- C68 H83 I6 N17 Rh2 -","2","1","","Yang, Liangru; Krüger, Anneke; Neels, Antonia; Albrecht, Martin","Rhodium(III) Complexes Containing C4-Bound N-Heterocyclic Carbenes: Synthesis, Coordination Chemistry, and Catalytic Activity in Transfer Hydrogenation","Organometallics","2008","27","13","3161","","10.1021/om800110c","","","0.71073","MoKα","","0.0394","0.0314","","","0.103","0.109","","","","","","0.859","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071332","9.1548","0.0009","11.9397","0.0012","14.1549","0.0013","95.23","0.012","107.292","0.011","93.65","0.012","1464.4","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C20.5 H33.5 I3 N6 Rh -","- C19 H30 I3 N6 Rh -","- C38 H60 I6 N12 Rh2 -","2","1","","Yang, Liangru; Krüger, Anneke; Neels, Antonia; Albrecht, Martin","Rhodium(III) Complexes Containing C4-Bound N-Heterocyclic Carbenes: Synthesis, Coordination Chemistry, and Catalytic Activity in Transfer Hydrogenation","Organometallics","2008","27","13","3161","","10.1021/om800110c","","","0.71073","MoKα","","0.0389","0.03","","","0.0721","0.0741","","","","","","0.912","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071333","15.964","0.002","19.617","0.003","25.72","0.004","94.133","0.012","101.237","0.01","103.493","0.01","7624","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C148.5 H171 Cl16.5 N12 O1.5 P3 Rh3 -","- C148.5 H171 Cl16.5 N12 O1.5 P3 Rh3 -","- C297 H342 Cl33 N24 O3 P6 Rh6 -","2","1","","Yang, Liangru; Krüger, Anneke; Neels, Antonia; Albrecht, Martin","Rhodium(III) Complexes Containing C4-Bound N-Heterocyclic Carbenes: Synthesis, Coordination Chemistry, and Catalytic Activity in Transfer Hydrogenation","Organometallics","2008","27","13","3161","","10.1021/om800110c","","","0.71073","MoKα","","0.2865","0.1008","","","0.2116","0.279","","","","","","0.821","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071334","20.4631","0.0008","17.5908","0.0005","17.3128","0.0006","90","","113.3","0.003","90","","5723.7","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H71 I3 N4 O1.5 P2 Rh -","- C53 H56 I3 N4 P2 Rh -","- C212 H224 I12 N16 P8 Rh4 -","4","1","","Yang, Liangru; Krüger, Anneke; Neels, Antonia; Albrecht, Martin","Rhodium(III) Complexes Containing C4-Bound N-Heterocyclic Carbenes: Synthesis, Coordination Chemistry, and Catalytic Activity in Transfer Hydrogenation","Organometallics","2008","27","13","3161","","10.1021/om800110c","","","0.71073","MoKα","","0.0978","0.086","","","0.2603","0.2704","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071335","11.1412","0.0018","18.133","0.003","16.174","0.003","90","","103.358","0.002","90","","3179.1","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 N4 Ni O2 -","- C32 H48 N4 Ni O2 -","- C128 H192 N16 Ni4 O8 -","4","1","","Scott, Natalie M.; Clavier, Hervé; Mahjoor, Parisa; Stevens, Edwin D.; Nolan, Steven P.","Synthetic, Structural, and Thermochemical Studies of N-Heterocyclic Carbene (NHC) and Tertiary Phosphine Ligands in the [(L)2Ni(CO)2] (L = PR3, NHC) System","Organometallics","2008","27","13","3181","","10.1021/om8001125","","","0.71073","MoKα","","0.0486","0.0354","","","0.0662","0.0697","","","","","","1.085","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071336","10.7392","0.0006","18.4417","0.001","20.2836","0.0011","90","","90","","90","","4017.1","0.4","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C44 H48 N4 Ni O2 -","- C44 H48 N4 Ni O2 -","- C176 H192 N16 Ni4 O8 -","4","0.5","","Scott, Natalie M.; Clavier, Hervé; Mahjoor, Parisa; Stevens, Edwin D.; Nolan, Steven P.","Synthetic, Structural, and Thermochemical Studies of N-Heterocyclic Carbene (NHC) and Tertiary Phosphine Ligands in the [(L)2Ni(CO)2] (L = PR3, NHC) System","Organometallics","2008","27","13","3181","","10.1021/om8001125","","","0.71073","MoKα","","0.0345","0.0316","","","0.0607","0.0619","","","","","","1.135","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071337","21.604","0.004","31.37","0.006","23.903","0.004","90","","90","","90","","16199","5","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C58 H42 Cl6 P2 -","- C56 H40 P2 -","- C672 H480 P24 -","12","1.5","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William","Biaryl-Like CATPHOS Diphosphines via Double Diels‒Alder Cycloaddition between 1,4-Bis(diphenylphosphinoyl)buta-1,3-diyne and Anthracenes: Efficient Ligands for the Palladium-Catalyzed Amination of Aromatic Bromides and α-Arylation of Ketones","Organometallics","2008","27","8","1679","","10.1021/om800118t","","","0.71073","MoKα","","0.0863","0.0646","","","0.1745","0.1855","","","","","","1.083","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071338","14.0682","0.0013","12.4225","0.0011","14.9801","0.0014","90","","102.862","0.001","90","","2552.3","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H44 Cl6 P2 Pd -","- C58 H44 Cl6 P2 Pd -","- C116 H88 Cl12 P4 Pd2 -","2","1","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William","Biaryl-Like CATPHOS Diphosphines via Double Diels‒Alder Cycloaddition between 1,4-Bis(diphenylphosphinoyl)buta-1,3-diyne and Anthracenes: Efficient Ligands for the Palladium-Catalyzed Amination of Aromatic Bromides and α-Arylation of Ketones","Organometallics","2008","27","8","1679","","10.1021/om800118t","","","0.71073","MoKα","","0.0375","0.0349","","","0.095","0.0982","","","","","","1.077","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071339","14.0757","0.0012","12.4304","0.001","14.9485","0.0012","90","","102.585","0.001","90","","2552.6","0.4","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C58 H44 Cl6 P2 Pt -","- C58 H44 Cl6 P2 Pt -","- C116 H88 Cl12 P4 Pt2 -","2","1","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William","Biaryl-Like CATPHOS Diphosphines via Double Diels‒Alder Cycloaddition between 1,4-Bis(diphenylphosphinoyl)buta-1,3-diyne and Anthracenes: Efficient Ligands for the Palladium-Catalyzed Amination of Aromatic Bromides and α-Arylation of Ketones","Organometallics","2008","27","8","1679","","10.1021/om800118t","","","0.71073","MoKα","","0.0325","0.0258","","","0.0581","0.062","","","","","","1.098","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071340","23.504","0.01","20.767","0.005","10.3578","0.0015","90","","90","","90","","5056","3","150","2","150","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C60 H48 Cl4 O2 P2 -","- C60 H48 Cl4 O2 P2 -","- C240 H192 Cl16 O8 P8 -","4","0.5","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William","Biaryl-Like CATPHOS Diphosphines via Double Diels–Alder Cycloaddition between 1,4-Bis(diphenylphosphinoyl)buta-1,3-diyne and Anthracenes: Efficient Ligands for the Palladium-Catalyzed Amination of Aromatic Bromides and α-Arylation of Ketones","Organometallics","2008","27","8","1679","","10.1021/om800118t","","","0.71073","MoKα","","0.0648","0.0456","","","0.105","0.1195","","","","","","1.069","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071341","14.556","0.015","14.86","0.02","15.45","0.02","81.08","0.11","64.64","0.09","71.75","0.1","2867","7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","complex 8a","","","- C56 H76 Cl4 O4 P2 Ru -","- C56 H74 Cl4 O4 P2 Ru -","- C112 H148 Cl8 O8 P4 Ru2 -","2","1","","Hayashi, Akito; Yoshitomi, Takahiko; Umeda, Kazutoshi; Okazaki, Masaaki; Ozawa, Fumiyuki","Synthesis and Reactions of Diphosphinidenecyclobutene Ruthenium Complexes Relevant to Catalytic Hydrosilylation of Terminal Alkynes","Organometallics","2008","27","10","2321","","10.1021/om800119f","","x-ray","0.7107","MoKα","","0.1178","0.0797","","","0.2292","0.3074","","","","","","1.119","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071342","20.6472","0.0016","12.2032","0.001","25.668","0.002","90","","90","","90","","6467.4","0.9","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H44 N4 Ti -","- C37 H44 N4 Ti -","- C296 H352 N32 Ti8 -","8","1","","Vujkovic, Nadia; Fillol, Julio Lloret; Ward, Benjamin D.; Wadepohl, Hubert; Mountford, Philip; Gade, Lutz H.","Insertions into Azatitanacyclobutenes: New Insights into Three-Component Coupling Reactions Involving Imidotitanium Intermediates","Organometallics","2008","27","11","2518","","10.1021/om8001203","","x-ray","0.71073","MoKα","","0.0828","0.0545","","","0.1411","0.1549","","","","","","1.086","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071343","21.266","0.004","12.788","0.002","24.435","0.004","90","","90","","90","","6645","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H46 N4 Ti -","- C38 H46 N4 Ti -","- C304 H368 N32 Ti8 -","8","1","","Vujkovic, Nadia; Fillol, Julio Lloret; Ward, Benjamin D.; Wadepohl, Hubert; Mountford, Philip; Gade, Lutz H.","Insertions into Azatitanacyclobutenes: New Insights into Three-Component Coupling Reactions Involving Imidotitanium Intermediates","Organometallics","2008","27","11","2518","","10.1021/om8001203","","x-ray","0.71073","MoKα","","0.0877","0.0509","","","0.1229","0.137","","","","","","1.084","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071344","11.1455","0.0013","12.2427","0.0015","25.737","0.003","90","","97.782","0.002","90","","3479.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H48 N4 S Ti -","- C40.5 H48 N4 S Ti -","- C162 H192 N16 S4 Ti4 -","4","1","","Vujkovic, Nadia; Fillol, Julio Lloret; Ward, Benjamin D.; Wadepohl, Hubert; Mountford, Philip; Gade, Lutz H.","Insertions into Azatitanacyclobutenes: New Insights into Three-Component Coupling Reactions Involving Imidotitanium Intermediates","Organometallics","2008","27","11","2518","","10.1021/om8001203","","x-ray","0.71073","MoKα","","0.0824","0.0514","","","0.1128","0.1239","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071345","11.2101","0.0013","12.1801","0.0014","25.94","0.003","90","","97.311","0.002","90","","3513.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H48 N4 Se Ti -","- C40.5 H48 N4 Se Ti -","- C162 H192 N16 Se4 Ti4 -","4","1","","Vujkovic, Nadia; Fillol, Julio Lloret; Ward, Benjamin D.; Wadepohl, Hubert; Mountford, Philip; Gade, Lutz H.","Insertions into Azatitanacyclobutenes: New Insights into Three-Component Coupling Reactions Involving Imidotitanium Intermediates","Organometallics","2008","27","11","2518","","10.1021/om8001203","","x-ray","0.71073","MoKα","","0.0583","0.039","","","0.1005","0.1071","","","","","","1.1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071346","11.434","0.002","14.483","0.003","14.939","0.003","95.761","0.004","103.409","0.004","108.459","0.003","2241.8","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H61 N5 Ti -","- C53 H61 N5 Ti -","- C106 H122 N10 Ti2 -","2","1","","Vujkovic, Nadia; Fillol, Julio Lloret; Ward, Benjamin D.; Wadepohl, Hubert; Mountford, Philip; Gade, Lutz H.","Insertions into Azatitanacyclobutenes: New Insights into Three-Component Coupling Reactions Involving Imidotitanium Intermediates","Organometallics","2008","27","11","2518","","10.1021/om8001203","","x-ray","0.71073","MoKα","","0.0433","0.0377","","","0.1081","0.1127","","","","","","1.101","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071347","18.8864","0.0019","16.5995","0.0013","17.9096","0.0016","90","","105.273","0.009","90","","5416.4","0.9","180","","180","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Cl2 N4 Ti -","- C25 H36 Cl2 N4 Ti -","- C200 H288 Cl16 N32 Ti8 -","8","2","","Lorber, Christian; Vendier, Laure","Routes to New N-Heterocyclic Carbene Titanium(IV) Imido Complexes","Organometallics","2008","27","12","2774","","10.1021/om800121g","","","0.71073","MoKα","","0.2467","0.1088","","","0.2897","0.3608","","","","","","0.967","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071348","15.1103","0.0005","11.5282","0.0004","24.8172","0.0009","90","","93.401","0.003","90","","4315.4","0.3","180","","180","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H54 Cl2 N5 Ti -","- C44 H54 Cl2 N5 Ti -","- C176 H216 Cl8 N20 Ti4 -","4","1","","Lorber, Christian; Vendier, Laure","Routes to New N-Heterocyclic Carbene Titanium(IV) Imido Complexes","Organometallics","2008","27","12","2774","","10.1021/om800121g","","","0.71073","MoKα","","0.1054","0.0439","","","0.1043","0.1544","","","","","","0.998","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071349","13.2517","0.0005","42.872","0.002","13.2474","0.0005","90","","90","","90","","7526.2","0.5","180","","180","","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C35 H48 Cl2 N4 Ti -","- C35 H48 Cl2 N4 Ti -","- C280 H384 Cl16 N32 Ti8 -","8","1","","Lorber, Christian; Vendier, Laure","Routes to New N-Heterocyclic Carbene Titanium(IV) Imido Complexes","Organometallics","2008","27","12","2774","","10.1021/om800121g","","","0.71073","MoKα","","0.1223","0.0566","","","0.1313","0.1625","","","","","","1.001","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071350","9.2583","0.0007","40.714","0.004","8.6018","0.0007","90","","108.365","0.007","90","","3077.2","0.5","180","","180","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H34 Cl4 N4 Ti -","- C29 H34 Cl4 N4 Ti -","- C116 H136 Cl16 N16 Ti4 -","4","1","","Lorber, Christian; Vendier, Laure","Routes to New N-Heterocyclic Carbene Titanium(IV) Imido Complexes","Organometallics","2008","27","12","2774","","10.1021/om800121g","","","0.71073","MoKα","","0.13","0.0676","","","0.137","0.1642","","","","","","1.02","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071351","16.2363","0.0006","17.0367","0.0007","43.781","0.0017","90","","90","","90","","12110.4","0.8","180","2","180","2","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C27 H40 Cl2 N4 Ti -","- C27 H40 Cl2 N4 Ti -","- C432 H640 Cl32 N64 Ti16 -","16","2","","Lorber, Christian; Vendier, Laure","Routes to New N-Heterocyclic Carbene Titanium(IV) Imido Complexes","Organometallics","2008","27","12","2774","","10.1021/om800121g","","x-ray","0.71073","MoKα","","0.0763","0.0546","","","0.1201","0.1301","","","","","","1.088","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071352","13.2498","0.0009","14.9309","0.0014","23.7215","0.0016","90","","89.522","0.008","90","","4692.7","0.6","180","","180","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H51 Cl4 N5 Ti -","- C48 H51 Cl4 N5 Ti -","- C192 H204 Cl16 N20 Ti4 -","4","1","","Lorber, Christian; Vendier, Laure","Routes to New N-Heterocyclic Carbene Titanium(IV) Imido Complexes","Organometallics","2008","27","12","2774","","10.1021/om800121g","","","0.71073","MoKα","","0.0742","0.0381","","","0.0811","0.0919","","","","","","0.903","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071353","12.117","0.0008","10.836","0.0007","14.5802","0.0009","90","","111.287","0.006","90","","1783.8","0.2","180","","180","","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C35 H38 Cl5 N5 Ti -","- C35 H38 Cl5 N5 Ti -","- C70 H76 Cl10 N10 Ti2 -","2","1","","Lorber, Christian; Vendier, Laure","Routes to New N-Heterocyclic Carbene Titanium(IV) Imido Complexes","Organometallics","2008","27","12","2774","","10.1021/om800121g","","","0.71073","MoKα","","0.1011","0.0736","","","0.1895","0.2093","","","","","","1.016","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071354","8.624","0.009","10.9514","0.0018","10.323","0.003","90","","106.99","0.03","90","","932.4","1","193","2","193","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","{1,2-bis(dimethylphosphino)ethane}diphenylplatinium(II)","","- C18 H26 P2 Pt -","- C18 H26 P2 Pt -","- C36 H52 P4 Pt2 -","2","0.5","","Canty, Allan J.; Watson, Russell P.; Karpiniec, Samuel S.; Rodemann, Thomas; Gardiner, Michael G.; Jones, Roderick C.","Synthesis and Reactivity of (η1-Alkynyl)diorganoplatinum(IV) Species, Including Structural Studies of PtIMe(p-Tol)(CCSiMe3)(dmpe) [dmpe = 1,2-bis(dimethylphosphino)ethane] and the Platinum(II) Reagent PtPh2(dmpe)","Organometallics","2008","27","13","3203","","10.1021/om800122k","","","0.71073","MoKα","","0.029","0.0275","","","0.0699","0.0709","","","","","","1.073","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071355","16.982","0.01","10.492","0.005","15.289","0.012","90","","113.21","0.08","90","","2504","3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H35 I P2 Pt Si -","- C19 H35 I P2 Pt Si -","- C76 H140 I4 P8 Pt4 Si4 -","4","1","","Canty, Allan J.; Watson, Russell P.; Karpiniec, Samuel S.; Rodemann, Thomas; Gardiner, Michael G.; Jones, Roderick C.","Synthesis and Reactivity of (η1-Alkynyl)diorganoplatinum(IV) Species, Including Structural Studies of PtIMe(p-Tol)(CCSiMe3)(dmpe) [dmpe = 1,2-bis(dimethylphosphino)ethane] and the Platinum(II) Reagent PtPh2(dmpe)","Organometallics","2008","27","13","3203","","10.1021/om800122k","","","0.71073","MoKα","","0.1569","0.0713","","","0.1697","0.2113","","","","","","1.025","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071356","11.557","0.004","11.913","0.004","20.31","0.007","90","","90","","90","","2796.3","1.7","193.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Cl3 Ir N -","- C30 H31 Cl3 Ir N -","- C120 H124 Cl12 Ir4 N4 -","4","1","","Arita, Sachiko; Koike, Takashi; Kayaki, Yoshihito; Ikariya, Takao","Synthesis and Reactivities of Cp*Ir Amide and Hydride Complexes Bearing C−N Chelate Ligands","Organometallics","2008","27","12","2795","","10.1021/om800124f","","","0.7107","MoKα","","","0.0414","","","","0.1037","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071357","21.0572","0.0011","15.9155","0.0011","22.0458","0.0015","90","","90","","90","","7388.3","0.8","293.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H27 Cl Ir N -","- C19 H27 Cl Ir N -","- C304 H432 Cl16 Ir16 N16 -","16","2","","Arita, Sachiko; Koike, Takashi; Kayaki, Yoshihito; Ikariya, Takao","Synthesis and Reactivities of Cp*Ir Amide and Hydride Complexes Bearing C−N Chelate Ligands","Organometallics","2008","27","12","2795","","10.1021/om800124f","","","0.7107","MoKα","","","0.0452","","","","0.114","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071358","7.87","0.003","10.155","0.004","15.749","0.007","73.934","0.012","84.275","0.012","74.846","0.015","1166.9","0.8","193.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 Ir N -","- C29 H30 Ir N -","- C58 H60 Ir2 N2 -","2","1","","Arita, Sachiko; Koike, Takashi; Kayaki, Yoshihito; Ikariya, Takao","Synthesis and Reactivities of Cp*Ir Amide and Hydride Complexes Bearing C−N Chelate Ligands","Organometallics","2008","27","12","2795","","10.1021/om800124f","","","0.7107","MoKα","","","0.0249","","","","0.0654","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071359","8.612","0.006","22.988","0.016","9.451","0.007","90","","112.772","0.006","90","","1725","2","193.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 Ir N -","- C19 H26 Ir N -","- C76 H104 Ir4 N4 -","4","1","","Arita, Sachiko; Koike, Takashi; Kayaki, Yoshihito; Ikariya, Takao","Synthesis and Reactivities of Cp*Ir Amide and Hydride Complexes Bearing C−N Chelate Ligands","Organometallics","2008","27","12","2795","","10.1021/om800124f","","","0.7107","MoKα","","","0.0521","","","","0.159","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071360","10.922","0.004","19.511","0.007","12.677","0.005","90","","95.293","0.005","90","","2689.9","1.7","293.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H34 Ir N O2 -","- C31 H34 Ir N O2 -","- C124 H136 Ir4 N4 O8 -","4","1","","Arita, Sachiko; Koike, Takashi; Kayaki, Yoshihito; Ikariya, Takao","Synthesis and Reactivities of Cp*Ir Amide and Hydride Complexes Bearing C−N Chelate Ligands","Organometallics","2008","27","12","2795","","10.1021/om800124f","","","0.7107","MoKα","","","0.0377","","","","0.0913","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071361","9.092","0.004","9.101","0.005","25.409","0.011","90.061","0.008","90.049","0.004","104.137","0.01","2038.8","1.7","193.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H32 Ir N O -","- C22 H32 Ir N O -","- C88 H128 Ir4 N4 O4 -","4","2","","Arita, Sachiko; Koike, Takashi; Kayaki, Yoshihito; Ikariya, Takao","Synthesis and Reactivities of Cp*Ir Amide and Hydride Complexes Bearing C−N Chelate Ligands","Organometallics","2008","27","12","2795","","10.1021/om800124f","","","0.7107","MoKα","","","0.0373","","","","0.1031","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071362","8.626","0.003","15.356","0.005","16.209","0.005","90","","91.429","0.004","90","","2146.4","1.2","193.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 B F4 Ir N O -","- C20 H27 B F4 Ir N O -","- C80 H108 B4 F16 Ir4 N4 O4 -","4","1","","Arita, Sachiko; Koike, Takashi; Kayaki, Yoshihito; Ikariya, Takao","Synthesis and Reactivities of Cp*Ir Amide and Hydride Complexes Bearing C−N Chelate Ligands","Organometallics","2008","27","12","2795","","10.1021/om800124f","","","0.7107","MoKα","","","0.0431","","","","0.1122","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071363","10.7012","0.0013","22.898","0.003","20.818","0.003","90","","93.557","0.003","90","","5091.3","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H60 O17 P3 Re Sn -","- C32 H60 O17 P3 Re Sn -","- C128 H240 O68 P12 Re4 Sn4 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús; Fontán, Soledad García; Zanardo, Gianluigi","Preparation of Trivinylstannyl Complexes of Manganese and Rhenium","Organometallics","2008","27","12","2789","","10.1021/om800125b","","","0.71073","MoKα","","0.0681","0.0366","","","0.0834","0.0937","","","","","","0.95","","","","has coordinates,has disorder","178602","2020-10-21","18:00:00",""
"4071364","32.909","0.001","14.748","0.0007","19.481","0.0006","90","","122.842","0.002","90","","7943.8","0.5","153","2","153","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","ReC60Me5CO3CS2","","- C69 H15 O3 Re S2 -","- C69 H15 O3 Re S2 -","- C552 H120 O24 Re8 S16 -","8","1","","Matsuo, Yutaka; Kuninobu, Yoichiro; Muramatsu, Ayako; Sawamura, Masaya; Nakamura, Eiichi","Synthesis of Metal Fullerene Complexes by the Use of Fullerene Halides","Organometallics","2008","27","14","3403","","10.1021/om8001262","","x-ray","0.71073","MoKα","","0.09","0.0863","","","0.2523","0.2565","","","","","","1.067","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071365","9.3892","0.0002","16.7894","0.0005","21.7055","0.0007","90","","109.176","0.001","90","","3231.78","0.16","125","2","125","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl3 N9 O P Rh -","- C24 H18 Cl3 N9 O P Rh -","- C96 H72 Cl12 N36 O4 P4 Rh4 -","4","1","","van Assema, Sander G. A.; Tazelaar, Cornelis G. J.; de Jong, G. Bas; van Maarseveen, Jan H.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Slootweg, J. Chris; Lammertsma, Koop","Phospha-Scorpionate Complexes by Click Chemistry using Phenyl Azide and Ethynylphosphine Oxides","Organometallics","2008","27","13","3210","","10.1021/om800127h","","","0.71073","MoKα","","0.0529","0.0375","","","0.0899","0.0942","","","","","","1.013","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071366","27.6093","0.0005","20.4105","0.0005","13.53985","0.00018","90","","114.452","0.001","90","","6945.6","0.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H26 N9 O6 P W -","- C33 H26 N9 O6 P W -","- C264 H208 N72 O48 P8 W8 -","8","1","","van Assema, Sander G. A.; Tazelaar, Cornelis G. J.; de Jong, G. Bas; van Maarseveen, Jan H.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Slootweg, J. Chris; Lammertsma, Koop","Phospha-Scorpionate Complexes by Click Chemistry using Phenyl Azide and Ethynylphosphine Oxides","Organometallics","2008","27","13","3210","","10.1021/om800127h","","","0.71073","MoKα","","0.0623","0.0331","","","0.0576","0.0651","","","","","","1.031","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071367","10.87209","0.00006","17.3152","0.0002","29.607","0.0006","90","","98.052","0.001","90","","5518.64","0.13","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Mo N9 O9 P W -","- C36 H26 Mo N9 O9 P W -","- C144 H104 Mo4 N36 O36 P4 W4 -","4","1","","van Assema, Sander G. A.; Tazelaar, Cornelis G. J.; de Jong, G. Bas; van Maarseveen, Jan H.; Schakel, Marius; Lutz, Martin; Spek, Anthony L.; Slootweg, J. Chris; Lammertsma, Koop","Phospha-Scorpionate Complexes by Click Chemistry using Phenyl Azide and Ethynylphosphine Oxides","Organometallics","2008","27","13","3210","","10.1021/om800127h","","","0.71073","MoKα","","0.041","0.0313","","","0.0747","0.0773","","","","","","1.086","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071368","11.6583","0.0009","16.829","0.001","16.076","0.001","90","","105.156","0.001","90","","3044.4","0.4","85","2","85","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H49 I Si4 Sn -","- C22 H49 I Si4 Sn -","- C88 H196 I4 Si16 Sn4 -","4","1","","Kavara, Ajdin; Kampf, Jeff W.; Banaszak Holl, Mark M.","Direct Formation of Propargyltin Compounds via C−H Activation","Organometallics","2008","27","13","2896","","10.1021/om800132h","","","0.71073","MoKα","","0.0178","0.0172","","","0.0449","0.0452","","","","","","1.049","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071369","10.1725","0.0006","11.8167","0.0005","20.9701","0.001","84.6454","0.0016","92.711","0.002","73.972","0.006","2405.1","0.2","103","2","103","2","","","","","","","","4","P -1","-P 1","2","compound5","","","- C41 H72 O2 Si7 -","- C41 H72 O2 Si7 -","- C82 H144 O4 Si14 -","2","1","","Ozaki, Shuhei; Sasamori, Takahiro; Tokitoh, Norihiro","Synthesis of a 1-Hydrosilene Stable in Solution and Its Unique Properties#","Organometallics","2008","27","10","2163","","10.1021/om8001334","","","0.71069","MoKα","","0.1184","0.0599","","","0.1389","0.1632","","","","","","1.001","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071370","19.0513","0.0003","11.1572","0.0002","24.5895","0.0006","90","","104.595","0.0017","90","","5058.06","0.18","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","compound7","","","- C46 H78 O Si7 -","- C46 H78 O Si7 -","- C184 H312 O4 Si28 -","4","1","","Ozaki, Shuhei; Sasamori, Takahiro; Tokitoh, Norihiro","Synthesis of a 1-Hydrosilene Stable in Solution and Its Unique Properties#","Organometallics","2008","27","10","2163","","10.1021/om8001334","","","0.71069","MoKα","","0.096","0.0627","","","0.1333","0.1509","","","","","","1.086","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071371","21.0678","0.0013","9.8086","0.0013","23.437","0.003","90","","107.596","0.003","90","","4616.6","0.9","103","2","103","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","compound9","","","- C80 H136 O2 Si14 -","- C80 H136 O2 Si14 -","- C160 H272 O4 Si28 -","2","0.5","","Ozaki, Shuhei; Sasamori, Takahiro; Tokitoh, Norihiro","Synthesis of a 1-Hydrosilene Stable in Solution and Its Unique Properties#","Organometallics","2008","27","10","2163","","10.1021/om8001334","","","0.71069","MoKα","","0.1654","0.0754","","","0.1405","0.1768","","","","","","1.013","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071372","32.9618","0.0013","10.8886","0.0004","28.8405","0.0012","90","","107.778","0.001","90","","9856.8","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56.5 H68 O2 S Zr -","- C56.5 H68 O2 S Zr -","- C452 H544 O16 S8 Zr8 -","8","1","","Agapie, Theodor; Henling, Lawrence M.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Bercaw, John E.","Zirconium and Titanium Complexes Supported by Tridentate LX2Ligands Having Two Phenolates Linked to Furan, Thiophene, and Pyridine Donors: Precatalysts for Propylene Polymerization and Oligomerization","Organometallics","2008","27","23","6245","","10.1021/om800136y","","","0.71073","MoKα","","0.083","0.0485","","","0.0821","0.0861","","","","","","1.258","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071373","11.2513","0.0004","13.1612","0.0004","13.7639","0.0004","76.075","0.001","81.769","0.001","84.868","0.001","1954.68","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H57 N O2 Ti -","- C47 H57 N O2 Ti -","- C94 H114 N2 O4 Ti2 -","2","1","","Agapie, Theodor; Henling, Lawrence M.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Bercaw, John E.","Zirconium and Titanium Complexes Supported by Tridentate LX2Ligands Having Two Phenolates Linked to Furan, Thiophene, and Pyridine Donors: Precatalysts for Propylene Polymerization and Oligomerization","Organometallics","2008","27","23","6245","","10.1021/om800136y","","","0.71073","MoKα","","0.0764","0.0471","","","0.0966","0.1019","","","","","","1.329","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4071374","9.67","0.0006","19.257","0.0012","21.95","0.0014","90","","102.286","0.001","90","","3993.8","0.4","208","2","208","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","TA-6-128","","","- C47 H57 N O2 Ti -","- C47 H57 N O2 Ti -","- C188 H228 N4 O8 Ti4 -","4","1","","Agapie, Theodor; Henling, Lawrence M.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Bercaw, John E.","Zirconium and Titanium Complexes Supported by Tridentate LX2Ligands Having Two Phenolates Linked to Furan, Thiophene, and Pyridine Donors: Precatalysts for Propylene Polymerization and Oligomerization","Organometallics","2008","27","23","6245","","10.1021/om800136y","","","0.71073","MoKα","","0.0571","0.0448","","","0.1168","0.1246","","","","","","1.035","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4071375","15.8272","0.0011","16.9637","0.0011","19.1982","0.0012","90","","107.911","0.003","90","","4904.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H77 N O4 Zr -","- C55 H77 N O4 Zr -","- C220 H308 N4 O16 Zr4 -","4","1","","Agapie, Theodor; Henling, Lawrence M.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Bercaw, John E.","Zirconium and Titanium Complexes Supported by Tridentate LX2Ligands Having Two Phenolates Linked to Furan, Thiophene, and Pyridine Donors: Precatalysts for Propylene Polymerization and Oligomerization","Organometallics","2008","27","23","6245","","10.1021/om800136y","","","0.71073","MoKα","","0.0917","0.0468","","","0.0731","0.0792","","","","","","1.128","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4071376","9.566","0.0014","14.1","0.002","15.1","0.002","85.053","0.003","76.411","0.003","85.591","0.003","1968.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H56 O3 Ti -","- C46 H56 O3 Ti -","- C92 H112 O6 Ti2 -","2","1","","Agapie, Theodor; Henling, Lawrence M.; DiPasquale, Antonio G.; Rheingold, Arnold L.; Bercaw, John E.","Zirconium and Titanium Complexes Supported by Tridentate LX2Ligands Having Two Phenolates Linked to Furan, Thiophene, and Pyridine Donors: Precatalysts for Propylene Polymerization and Oligomerization","Organometallics","2008","27","23","6245","","10.1021/om800136y","","","0.71073","MoKα","","0.0616","0.0516","","","0.1067","0.1083","","","","","","1.73","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4071377","13.596","0.003","14.178","0.003","19.478","0.004","90.24","0.03","90.3","0.03","90.96","0.03","3754","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H74 Cl7 Cu3 P6 -","- C79 H74 Cl7 Cu3 P6 -","- C158 H148 Cl14 Cu6 P12 -","2","1","","Daly, Stephen; Haddow, Mairi F.; Orpen, A. Guy; Rolls, Giles T. A.; Wass, Duncan F.; Wingad, Richard L.","Copper(I) Diphosphine Catalysts for C−N Bond Formation: Synthesis, Structure, and Ligand Effects","Organometallics","2008","27","13","3196","","10.1021/om800139v","","","1.54178","CuKα","","0.0646","0.053","","","0.1378","0.1503","","","","","","0.976","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071378","26.08","0.004","15.074","0.003","19.347","0.005","90","","109.63","0.03","90","","7164","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C78 H72 Cl3 Cu3 P6 -","- C78 H72 Cl3 Cu3 P6 -","- C312 H288 Cl12 Cu12 P24 -","4","1","","Daly, Stephen; Haddow, Mairi F.; Orpen, A. Guy; Rolls, Giles T. A.; Wass, Duncan F.; Wingad, Richard L.","Copper(I) Diphosphine Catalysts for C−N Bond Formation: Synthesis, Structure, and Ligand Effects","Organometallics","2008","27","13","3196","","10.1021/om800139v","","","0.71073","MoKα","","0.1069","0.0841","","","0.2114","0.221","","","","","","1.147","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071379","9.0865","0.0018","21.048","0.004","14.503","0.003","90","","100.17","0.03","90","","2730.2","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H32 Cl Cu P2 -","- C30 H32 Cl Cu P2 -","- C120 H128 Cl4 Cu4 P8 -","4","1","","Daly, Stephen; Haddow, Mairi F.; Orpen, A. Guy; Rolls, Giles T. A.; Wass, Duncan F.; Wingad, Richard L.","Copper(I) Diphosphine Catalysts for C−N Bond Formation: Synthesis, Structure, and Ligand Effects","Organometallics","2008","27","13","3196","","10.1021/om800139v","","","0.71073","MoKα","","0.1415","0.0921","","","0.1594","0.1774","","","","","","1.126","","","","has coordinates,has disorder","178602","2020-10-21","18:00:00",""
"4071380","11.886","0.002","12.866","0.002","22.334","0.004","81.31","0.004","78.587","0.005","63.626","0.004","2991.7","0.9","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H68 Cl6 Cu2 P4 -","- C62 H68 Cl6 Cu2 P4 -","- C124 H136 Cl12 Cu4 P8 -","2","1","","Daly, Stephen; Haddow, Mairi F.; Orpen, A. Guy; Rolls, Giles T. A.; Wass, Duncan F.; Wingad, Richard L.","Copper(I) Diphosphine Catalysts for C−N Bond Formation: Synthesis, Structure, and Ligand Effects","Organometallics","2008","27","13","3196","","10.1021/om800139v","","","0.71073","MoKα","","0.1321","0.0532","","","0.0889","0.1114","","","","","","0.966","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071381","14.551","0.003","14.64","0.003","16.927","0.003","86.56","0.03","79.15","0.03","64.59","0.03","3198","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H64 Cl6 Cu4 N2 P4 -","- C59 H64 Cl6 Cu4 N2 P4 -","- C118 H128 Cl12 Cu8 N4 P8 -","2","1","","Daly, Stephen; Haddow, Mairi F.; Orpen, A. Guy; Rolls, Giles T. A.; Wass, Duncan F.; Wingad, Richard L.","Copper(I) Diphosphine Catalysts for C−N Bond Formation: Synthesis, Structure, and Ligand Effects","Organometallics","2008","27","13","3196","","10.1021/om800139v","","","0.71073","MoKα","","0.0846","0.0432","","","0.0852","0.0957","","","","","","0.914","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071382","6.7845","0.0014","10.725","0.002","13.111","0.003","90","","101.54","0.03","90","","934.7","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H13 Br N2 -","- C8 H13 Br N2 -","- C32 H52 Br4 N8 -","4","1","","Normand, Adrien T.; Yen, Swee Kuan; Huynh, Han Vinh; Hor, T. S. Andy; Cavell, Kingsley J.","Catalytic Annulation of Heterocycles via a Novel Redox Process Involving the Imidazolium Salt N-Heterocyclic Carbene Couple","Organometallics","2008","27","13","3153","","10.1021/om800140n","","","0.71073","MoKα","","0.1441","0.1339","","","0.3685","0.3727","","","","","","1.334","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071383","10.108","0.005","10.339","0.004","11.856","0.002","71.83","0.02","88.97","0.03","73.25","0.03","1123.8","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H30 Br O3 P -","- C24 H30 Br O3 P -","- C48 H60 Br2 O6 P2 -","2","1","","Downing, Joanne H.; Floure, Joëlle; Heslop, Katie; Haddow, Mairi F.; Hopewell, Jonathan; Lusi, Matteo; Phetmung, Hirahataya; Orpen, A. Guy; Pringle, Paul G.; Pugh, Robert I.; Zambrano-Williams, Damaris","General Routes to Alkyl Phosphatrioxaadamantane Ligands","Organometallics","2008","27","13","3216","","10.1021/om800141y","","","0.71073","MoKα","","0.0395","0.0284","","","0.0622","0.0643","","","","","","0.915","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071384","8.6589","0.0013","10.335","0.009","17.863","0.002","89.713","0.014","77.73","0.014","73.231","0.017","1492.9","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H57 O3 P -","- C30 H57 O3 P -","- C60 H114 O6 P2 -","2","1","","Downing, Joanne H.; Floure, Joëlle; Heslop, Katie; Haddow, Mairi F.; Hopewell, Jonathan; Lusi, Matteo; Phetmung, Hirahataya; Orpen, A. Guy; Pringle, Paul G.; Pugh, Robert I.; Zambrano-Williams, Damaris","General Routes to Alkyl Phosphatrioxaadamantane Ligands","Organometallics","2008","27","13","3216","","10.1021/om800141y","","","1.54178","CuKα","","0.0697","0.0476","","","0.1134","0.1232","","","","","","0.94","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071385","14.959","0.003","16.978","0.003","26.764","0.005","85.08","0.03","84.42","0.03","76.65","0.03","6568","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H114 Cl2 O6 P2 Pt -","- C60 H114 Cl2 O6 P2 Pt -","- C240 H456 Cl8 O24 P8 Pt4 -","4","2","","Downing, Joanne H.; Floure, Joëlle; Heslop, Katie; Haddow, Mairi F.; Hopewell, Jonathan; Lusi, Matteo; Phetmung, Hirahataya; Orpen, A. Guy; Pringle, Paul G.; Pugh, Robert I.; Zambrano-Williams, Damaris","General Routes to Alkyl Phosphatrioxaadamantane Ligands","Organometallics","2008","27","13","3216","","10.1021/om800141y","","","0.71073","MoKα","","0.2006","0.1024","","","0.2064","0.2447","","","","","","0.988","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071386","8.176","0.002","8.0969","0.0013","16.669","0.003","90","","94.144","0.013","90","","1100.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 O3 P -","- C10 H17 O3 P -","- C40 H68 O12 P4 -","4","1","","Downing, Joanne H.; Floure, Joëlle; Heslop, Katie; Haddow, Mairi F.; Hopewell, Jonathan; Lusi, Matteo; Phetmung, Hirahataya; Orpen, A. Guy; Pringle, Paul G.; Pugh, Robert I.; Zambrano-Williams, Damaris","General Routes to Alkyl Phosphatrioxaadamantane Ligands","Organometallics","2008","27","13","3216","","10.1021/om800141y","","","0.71073","MoKα","","0.0455","0.0331","","","0.0854","0.0903","","","","","","1.028","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071387","9.656","0.003","8.3144","0.0018","15.116","0.002","90","","100.463","0.012","90","","1193.4","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H16 Cl O3 P -","- C10 H16 Cl O3 P -","- C40 H64 Cl4 O12 P4 -","4","1","","Downing, Joanne H.; Floure, Joëlle; Heslop, Katie; Haddow, Mairi F.; Hopewell, Jonathan; Lusi, Matteo; Phetmung, Hirahataya; Orpen, A. Guy; Pringle, Paul G.; Pugh, Robert I.; Zambrano-Williams, Damaris","General Routes to Alkyl Phosphatrioxaadamantane Ligands","Organometallics","2008","27","13","3216","","10.1021/om800141y","","","0.71073","MoKα","","0.0743","0.0418","","","0.0849","0.098","","","","","","1.01","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071388","8.375","0.0019","9.9901","0.0014","11.0436","0.0019","87.13","0.014","85.581","0.016","84.121","0.017","915.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H54 Cl2 O6 P2 Pd -","- C32 H54 Cl2 O6 P2 Pd -","- C32 H54 Cl2 O6 P2 Pd -","1","0.5","","Downing, Joanne H.; Floure, Joëlle; Heslop, Katie; Haddow, Mairi F.; Hopewell, Jonathan; Lusi, Matteo; Phetmung, Hirahataya; Orpen, A. Guy; Pringle, Paul G.; Pugh, Robert I.; Zambrano-Williams, Damaris","General Routes to Alkyl Phosphatrioxaadamantane Ligands","Organometallics","2008","27","13","3216","","10.1021/om800141y","","","0.71073","MoKα","","0.022","0.0195","","","0.0504","0.0508","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071389","12.0568","0.0004","21.1776","0.0006","12.7975","0.0004","90","","114.415","0.004","90","","2975.43","0.19","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H36 Cl4 O6 P2 Pt -","- C20.3559 H34.8474 Cl3.9322 O5.7966 P1.9322 Pt -","- C81.4236 H139.39 Cl15.7288 O23.1864 P7.7288 Pt4 -","4","1","","Downing, Joanne H.; Floure, Joëlle; Heslop, Katie; Haddow, Mairi F.; Hopewell, Jonathan; Lusi, Matteo; Phetmung, Hirahataya; Orpen, A. Guy; Pringle, Paul G.; Pugh, Robert I.; Zambrano-Williams, Damaris","General Routes to Alkyl Phosphatrioxaadamantane Ligands","Organometallics","2008","27","13","3216","","10.1021/om800141y","","","0.71073","MoKα","","0.0343","0.0274","","","0.0566","0.0578","","","","","","1.014","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4071390","11.936","0.003","8.874","0.002","16.722","0.005","90","","97.1","0.03","90","","1757.6","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(1-butyl-3-methyl-4-imidazolin-2-ylidene)(η^4^-cycloocta-1,5-diene) (thiocyanato-S)rhodium(I)","","- C17 H26 N3 Rh S -","- C17 H26 N3 Rh S -","- C68 H104 N12 Rh4 S4 -","4","1","","Gil, Wojciech; Trzeciak, Anna M.; Ziółkowski, Józef J.","Rhodium(I) N-Heterocyclic Carbene Complexes as Highly Selective Catalysts for 1-Hexene Hydroformylation","Organometallics","2008","27","16","4131","","10.1021/om800143m","","","0.71073","MoKα","","0.0303","0.0235","","","0.0663","0.071","","","","","","1.202","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071391","14.245","0.003","22.068","0.004","10.071","0.002","90","","90","","90","","3165.9","1.1","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C32 H50 N2 Ti -","- C32 H50 N2 Ti -","- C128 H200 N8 Ti4 -","4","0.5","","Nikiforov, Grigory B.; Roesky, Herbert W.; Heisen, Burkhard C.; Oswald, Rainer B.","Formation of a Titanium Complex with a TiCHAl2Structural Unit from LTiMe3and Trimethylaluminum§","Organometallics","2008","27","11","2544","","10.1021/om800144v","","","1.54184","CuKα","","0.0602","0.0448","","","0.1001","0.1078","","","","","","1.059","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071392","9.772","0.002","10.029","0.002","20.808","0.004","87.45","0.03","87.38","0.03","67.78","0.03","1885","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H60 Al2 N2 Ti -","- C36 H60 Al2 N2 Ti -","- C72 H120 Al4 N4 Ti2 -","2","1","","Nikiforov, Grigory B.; Roesky, Herbert W.; Heisen, Burkhard C.; Oswald, Rainer B.","Formation of a Titanium Complex with a TiCHAl2Structural Unit from LTiMe3and Trimethylaluminum§","Organometallics","2008","27","11","2544","","10.1021/om800144v","","","1.54178","CuKα","","0.0656","0.0497","","","0.1199","0.1311","","","","","","1.05","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071393","12.9556","0.0014","14.538","0.0016","15.1015","0.0016","97.509","0.003","106.363","0.003","115.41","0.003","2359","0.5","133","2","133","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H39 N3 Si -","- C22 H39 N3 Si -","- C88 H156 N12 Si4 -","4","2","","Randoll, Sören; Jones, Peter G.; Tamm, Matthias","Chromium Complexes with Me2Si-Bridged Cyclopentadienyl-imidazolin-2-imine Ligands: Synthesis, Structure, and Use in Ethylene Polymerization Catalysis","Organometallics","2008","27","13","3232","","10.1021/om800145z","","","0.71073","MoKα","","0.1226","0.0542","","","0.1225","0.1489","","","","","","0.914","","","","has coordinates,has disorder","178602","2020-10-21","18:00:00",""
"4071394","11.2546","0.0012","12.3589","0.0014","15.0347","0.0016","90","","93.67","0.003","90","","2087","0.4","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 Cl2 Cr N3 Si -","- C18 H30 Cl2 Cr N3 Si -","- C72 H120 Cl8 Cr4 N12 Si4 -","4","1","","Randoll, Sören; Jones, Peter G.; Tamm, Matthias","Chromium Complexes with Me2Si-Bridged Cyclopentadienyl-imidazolin-2-imine Ligands: Synthesis, Structure, and Use in Ethylene Polymerization Catalysis","Organometallics","2008","27","13","3232","","10.1021/om800145z","","","0.71073","MoKα","","0.0676","0.0437","","","0.1033","0.1156","","","","","","1.09","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071395","17.1117","0.0018","8.9247","0.001","16.6329","0.0018","90","","96.069","0.003","90","","2525.9","0.5","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H38 Cl2 Cr N3 Si -","- C22 H38 Cl2 Cr N3 Si -","- C88 H152 Cl8 Cr4 N12 Si4 -","4","1","","Randoll, Sören; Jones, Peter G.; Tamm, Matthias","Chromium Complexes with Me2Si-Bridged Cyclopentadienyl-imidazolin-2-imine Ligands: Synthesis, Structure, and Use in Ethylene Polymerization Catalysis","Organometallics","2008","27","13","3232","","10.1021/om800145z","","","0.71073","MoKα","","0.0424","0.0298","","","0.0728","0.0803","","","","","","1.05","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071396","12.3769","0.0015","12.9565","0.0014","16.8703","0.0018","90","","109.259","0.004","90","","2553.9","0.5","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H76 Cl4 Cr2 N6 Si2 -","- C44 H76 Cl4 Cr2 N6 Si2 -","- C88 H152 Cl8 Cr4 N12 Si4 -","2","0.5","","Randoll, Sören; Jones, Peter G.; Tamm, Matthias","Chromium Complexes with Me2Si-Bridged Cyclopentadienyl-imidazolin-2-imine Ligands: Synthesis, Structure, and Use in Ethylene Polymerization Catalysis","Organometallics","2008","27","13","3232","","10.1021/om800145z","","","0.71073","MoKα","","0.1307","0.0708","","","0.1471","0.1622","","","","","","0.993","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071397","9.627","0.0004","27.1476","0.0014","18.3241","0.001","90","","91.22","0.003","90","","4787.9","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cl2 Cr N3 Si -","- C22 H32 Cl2 Cr N3 Si -","- C176 H256 Cl16 Cr8 N24 Si8 -","8","2","","Randoll, Sören; Jones, Peter G.; Tamm, Matthias","Chromium Complexes with Me2Si-Bridged Cyclopentadienyl-imidazolin-2-imine Ligands: Synthesis, Structure, and Use in Ethylene Polymerization Catalysis","Organometallics","2008","27","13","3232","","10.1021/om800145z","","","0.71073","MoKα","","0.0957","0.0427","","","0.0819","0.1016","","","","","","1.064","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071398","9.65602","0.0001","14.95694","0.0001","10.48788","0.0001","90","","112.479","0.0012","90","","1399.62","0.02","123","","150","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C32 H31 Br P2 Ru -","- C32 H31 Br P2 Ru -","- C64 H62 Br2 P4 Ru2 -","2","1","","Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred","Pyramidal Stability of Chiral-at-Metal Half-Sandwich 16-Electron Fragments [CpRu(P−P′)]","Organometallics","2008","27","14","3514","","10.1021/om800148r","","x-ray","1.5418","CuKα","","0.0173","0.0168","","","0.0425","0.0426","","","","","","1.081","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071399","8.4821","0.0015","15.0654","0.0008","11.0948","0.0008","90","","91.851","0.009","90","","1417","0.3","150","","150","1","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C32 H31 I P2 Ru -","- C32 H31 I P2 Ru -","- C64 H62 I2 P4 Ru2 -","2","1","","Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred","Pyramidal Stability of Chiral-at-Metal Half-Sandwich 16-Electron Fragments [CpRu(P−P′)]","Organometallics","2008","27","14","3514","","10.1021/om800148r","","x-ray","0.71073","MoKα","","0.0303","0.0244","","","0.0476","0.0482","","","","","","0.97","","","","has coordinates","178602","2020-10-21","18:00:00",""
"4071400","12.45942","0.0001","15.52669","0.00014","15.69572","0.00014","90","","90","","90","","3036.39","0.05","150","","150","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H33 Br P2 Ru -","- C36 H33 Br P2 Ru -","- C144 H132 Br4 P8 Ru4 -","4","1","","Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred","Pyramidal Stability of Chiral-at-Metal Half-Sandwich 16-Electron Fragments [CpRu(P−P′)]","Organometallics","2008","27","14","3514","","10.1021/om800148r","","x-ray","1.5418","CuKα","","0.0208","0.0203","","","0.0526","0.0528","","","","","","1.046","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071401","16.3029","0.0003","11.3714","0.0003","20.1949","0.0004","90","","112.352","0.002","90","","3462.57","0.14","123","","123","1","","","","","","","see text","6","I 1 2 1","I 2y","5","","","","- C37 H35 Cl2 I P2 Ru -","- C43.188 H33 I P2 Ru -","- C172.752 H132 I4 P8 Ru4 -","4","1","","Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred","Pyramidal Stability of Chiral-at-Metal Half-Sandwich 16-Electron Fragments [CpRu(P−P′)]","Organometallics","2008","27","14","3514","","10.1021/om800148r","","x-ray","0.71073","MoKα","","0.0427","0.0316","","","0.0653","0.0674","","","","","","0.976","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071402","12.5156","0.0003","15.5113","0.0004","15.8381","0.0005","90","","90","","90","","3074.7","0.15","150","","150","1","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H33 I P2 Ru -","- C36 H33 I P2 Ru -","- C144 H132 I4 P8 Ru4 -","4","1","","Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred","Pyramidal Stability of Chiral-at-Metal Half-Sandwich 16-Electron Fragments [CpRu(P−P′)]","Organometallics","2008","27","14","3514","","10.1021/om800148r","","x-ray","0.71073","MoKα","","0.0692","0.0385","","","0.0498","0.0543","","","","","","0.934","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071403","10.2753","0.0009","11.0726","0.0011","17.1524","0.0017","90.769","0.011","99.159","0.011","98.058","0.011","1906.3","0.3","297","","297","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C47 H41 P2 Rh -","- C47 H41 P2 Rh -","- C94 H82 P4 Rh2 -","2","1","","Brunner, Henri; Muschiol, Manfred; Tsuno, Takashi; Takahashi, Takemoto; Zabel, Manfred","Pyramidal Stability of Chiral-at-Metal Half-Sandwich 16-Electron Fragments [CpRu(P−P′)]","Organometallics","2008","27","14","3514","","10.1021/om800148r","","","0.71073","MoKα","","0.045","0.0373","","","0.0909","0.0934","","","","","","0.982","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071404","15.4555","0.0011","9.2944","0.0007","13.939","0.001","90","","100.518","0.001","90","","1968.7","0.2","105","0.2","105","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cl3 N Os2 -","- C18 H28 Cl3 N Os2 -","- C72 H112 Cl12 N4 Os8 -","4","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Oñate, Enrique","[H(EtOH)2][{OsCl(η4-COD)}2(μ-H)(μ-Cl)2] as an Intermediate for the Preparation of [OsCl2(COD)]xand Its Activity as an Ionic Hydrogenation and Etherification Catalyst","Organometallics","2008","27","13","3029","","10.1021/om800150z","","","0.71073","MoKα","","0.0441","0.0352","","","0.0764","0.0796","","","","","","1.077","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071405","10.7863","0.0011","17.5377","0.0018","21.737","0.002","90","","101.979","0.0014","90","","4022.4","0.7","123.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 P2 Rh Si2 -","- C46 H46 P2 Rh Si2 -","- C184 H184 P8 Rh4 Si8 -","4","1","","Sunada, Yusuke; Fujimura, Yoshiki; Nagashima, Hideo","“Synergistic Effects of Two Si−H Groups and a Metal Center” in Transition Metal-Catalyzed Hydrosilylation of Unsaturated Molecules: A Mechanistic Study of the RhCl(PPh3)3-Catalyzed Hydrosilylation of Ketones with 1,2-Bis(dimethylsilyl)benzene","Organometallics","2008","27","14","3502","","10.1021/om800151w","","","0.7107","MoKα","","","0.0685","","","","0.1573","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071406","9.5341","0.0013","38.073","0.004","12.292","0.0015","90","","110.462","0.005","90","","4180.4","0.9","153.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H51 P Rh Si4 -","- C41 H51 P Rh Si4 -","- C164 H204 P4 Rh4 Si16 -","4","1","","Sunada, Yusuke; Fujimura, Yoshiki; Nagashima, Hideo","“Synergistic Effects of Two Si−H Groups and a Metal Center” in Transition Metal-Catalyzed Hydrosilylation of Unsaturated Molecules: A Mechanistic Study of the RhCl(PPh3)3-Catalyzed Hydrosilylation of Ketones with 1,2-Bis(dimethylsilyl)benzene","Organometallics","2008","27","14","3502","","10.1021/om800151w","","","0.7107","MoKα","","","0.0788","","","","0.222","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071407","26.234","0.007","16.479","0.005","6.3671","0.0018","90","","90","","90","","2752.6","1.4","110","2","110","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H37 Mn O3 -","- C32 H37 Mn O3 -","- C128 H148 Mn4 O12 -","4","1","","Price, Craig J.; Zeits, Paul D.; Reibenspies, Joseph H.; Miller, Stephen A.","Octamethyloctahydrodibenzofluorenyl: Electronic Comparisons between a Sterically Expanded Ligand and Its Cyclopentadienyl Analogues","Organometallics","2008","27","15","3722","","10.1021/om8001526","","","0.71073","MoKα","","0.0934","0.073","","","0.1706","0.1845","","","","","","1.036","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4071408","11.1653","0.0004","12.7631","0.0003","13.6141","0.0004","87.747","0.002","85.366","0.002","83.153","0.002","1919.06","0.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H50 Cl4 O Os P4 -","- C33 H50 Cl4 O Os P4 -","- C66 H100 Cl8 O2 Os2 P8 -","2","1","","Gong, Lei; Lin, Yumei; Wen, Ting Bin; Zhang, Hong; Zeng, Birong; Xia, Haiping","Formation of Four Conjugated Osmacyclic Species in a One-Pot Reaction","Organometallics","2008","27","11","2584","","10.1021/om8001558","","","0.71073","MoKα","","0.0353","0.028","","","0.0677","0.0696","","","","","","1.009","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071409","11.8066","0.0007","23.7395","0.0015","17.4227","0.0004","90","","90.885","0.004","90","","4882.7","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H49 Cl2 Os P3 -","- C59 H49 Cl2 Os P3 -","- C236 H196 Cl8 Os4 P12 -","4","1","","Gong, Lei; Lin, Yumei; Wen, Ting Bin; Zhang, Hong; Zeng, Birong; Xia, Haiping","Formation of Four Conjugated Osmacyclic Species in a One-Pot Reaction","Organometallics","2008","27","11","2584","","10.1021/om8001558","","","0.71073","MoKα","","0.0663","0.0509","","","0.0804","0.0876","","","","","","1.031","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071410","12.403","0.0005","18.544","0.0008","21.4896","0.0008","90","","102.065","0.004","90","","4833.5","0.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H49 Cl2 O0 Os P3 -","- C59 H49 Cl2 Os P3 -","- C236 H196 Cl8 Os4 P12 -","4","1","","Gong, Lei; Lin, Yumei; Wen, Ting Bin; Zhang, Hong; Zeng, Birong; Xia, Haiping","Formation of Four Conjugated Osmacyclic Species in a One-Pot Reaction","Organometallics","2008","27","11","2584","","10.1021/om8001558","","","0.71073","MoKα","","0.1011","0.0493","","","0.0796","0.0861","","","","","","1.061","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071411","12.249","0.002","12.959","0.002","20.138","0.003","98.431","0.003","95.354","0.003","113.906","0.003","2849.3","0.8","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C59.75 H52.5 Cl3.5 O1.5 Os P3 -","- C59.75 H52.5 Cl3.5 O1.5 Os P3 -","- C119.5 H105 Cl7 O3 Os2 P6 -","2","1","","Gong, Lei; Lin, Yumei; Wen, Ting Bin; Zhang, Hong; Zeng, Birong; Xia, Haiping","Formation of Four Conjugated Osmacyclic Species in a One-Pot Reaction","Organometallics","2008","27","11","2584","","10.1021/om8001558","","","0.71073","MoKα","","0.0859","0.0797","","","0.2203","0.2262","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071412","8.3346","0.0008","8.4671","0.0008","14.5068","0.0014","84.83","0.005","85.483","0.005","68.227","0.004","945.7","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Compound 2A","","","- C20 H33 Mo N O -","- C20 H33 Mo N O -","- C40 H66 Mo2 N2 O2 -","2","1","","Graham, Peter M.; Buschhaus, Miriam S. A.; Pamplin, Craig B.; Legzdins, Peter","Reactivity of Cp*Mo(NO)(CHCMe3) with Olefins and Dienes: C−H Activation Reactions of Molybdenacyclobutanes","Organometallics","2008","27","12","2840","","10.1021/om800157s","","","0.71073","MoKα","","0.0239","0.0204","","","0.0525","0.0535","","","","","","1.068","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071413","13.1444","0.0004","9.1621","0.0003","16.758","0.0005","90","","106.02","0.002","90","","1939.8","0.11","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 Mo N O -","- C20 H33 Mo N O -","- C80 H132 Mo4 N4 O4 -","4","1","","Graham, Peter M.; Buschhaus, Miriam S. A.; Pamplin, Craig B.; Legzdins, Peter","Reactivity of Cp*Mo(NO)(CHCMe3) with Olefins and Dienes: C−H Activation Reactions of Molybdenacyclobutanes","Organometallics","2008","27","12","2840","","10.1021/om800157s","","","0.71073","MoKα","","0.0315","0.0244","","","0.057","0.0607","","","","","","1.031","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071414","8.9342","0.0011","13.7757","0.0016","16.5414","0.0008","90","","101.191","0.007","90","","1997.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 3C","","","- C21 H33 Mo N O -","- C21 H33 Mo N O -","- C84 H132 Mo4 N4 O4 -","4","1","","Graham, Peter M.; Buschhaus, Miriam S. A.; Pamplin, Craig B.; Legzdins, Peter","Reactivity of Cp*Mo(NO)(CHCMe3) with Olefins and Dienes: C−H Activation Reactions of Molybdenacyclobutanes","Organometallics","2008","27","12","2840","","10.1021/om800157s","","","0.71073","MoKα","","0.0416","0.0291","","","0.0667","0.0713","","","","","","1.069","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4071415","19.614","0.002","17.1143","0.0017","15.5191","0.0017","90","","118.88","0.004","90","","4561.6","0.8","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Compound 5B","","","- C23 H39 Mo N O -","- C23 H39 Mo N O -","- C184 H312 Mo8 N8 O8 -","8","1","","Graham, Peter M.; Buschhaus, Miriam S. A.; Pamplin, Craig B.; Legzdins, Peter","Reactivity of Cp*Mo(NO)(CHCMe3) with Olefins and Dienes: C−H Activation Reactions of Molybdenacyclobutanes","Organometallics","2008","27","12","2840","","10.1021/om800157s","","","0.71073","MoKα","","0.0355","0.0253","","","0.0567","0.0591","","","","","","1.021","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071416","8.8589","0.001","17.727","0.002","27.619","0.004","90","","90","","90","","4337.3","0.9","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H37 Mo N O -","- C23 H37 Mo N O -","- C184 H296 Mo8 N8 O8 -","8","1","","Graham, Peter M.; Buschhaus, Miriam S. A.; Pamplin, Craig B.; Legzdins, Peter","Reactivity of Cp*Mo(NO)(CHCMe3) with Olefins and Dienes: C−H Activation Reactions of Molybdenacyclobutanes","Organometallics","2008","27","12","2840","","10.1021/om800157s","","","0.71073","MoKα","","0.1154","0.0626","","","0.1167","0.1274","","","","","","1.12","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4071417","14.8524","0.0019","9.2086","0.0011","20.619","0.003","90","","110.106","0.007","90","","2648.2","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H42 Mo N2 O -","- C28 H42 Mo N2 O -","- C112 H168 Mo4 N8 O4 -","4","1","","Graham, Peter M.; Buschhaus, Miriam S. A.; Pamplin, Craig B.; Legzdins, Peter","Reactivity of Cp*Mo(NO)(CHCMe3) with Olefins and Dienes: C−H Activation Reactions of Molybdenacyclobutanes","Organometallics","2008","27","12","2840","","10.1021/om800157s","","","0.71073","MoKα","","0.0661","0.0338","","","0.0613","0.0664","","","","","","0.922","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071418","9.5763","0.0006","19.3314","0.0012","17.4565","0.0009","90","","90","","90","","3231.6","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C41 H39 B2 Fe2 N -","- C41 H39 B2 Fe2 N -","- C164 H156 B8 Fe8 N4 -","4","1","","Pakkirisamy, Thilagar; Venkatasubbaiah, Krishnan; Kassel, W. Scott; Rheingold, Arnold L.; Jäkle, Frieder","Examination of the Pyridine Binding to the Bifunctional Lewis Acid B,B′-Diphenyldiboradiferrocene","Organometallics","2008","27","13","3056","","10.1021/om8001608","","","1.54178","CuKα","","0.0807","0.0456","","","0.0829","0.0953","","","","","","0.938","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071419","9.9484","0.0004","10.4634","0.0004","11.6449","0.0004","70.117","0.002","78.568","0.003","84.032","0.003","1116.41","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H48 B2 Cl6 Fe2 N4 -","- C48 H48 B2 Cl6 Fe2 N4 -","- C48 H48 B2 Cl6 Fe2 N4 -","1","0.5","","Pakkirisamy, Thilagar; Venkatasubbaiah, Krishnan; Kassel, W. Scott; Rheingold, Arnold L.; Jäkle, Frieder","Examination of the Pyridine Binding to the Bifunctional Lewis Acid B,B′-Diphenyldiboradiferrocene","Organometallics","2008","27","13","3056","","10.1021/om8001608","","","1.54178","CuKα","","0.0459","0.0417","","","0.1141","0.1181","","","","","","1.078","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071420","28.2223","0.0018","8.3188","0.0005","21.8954","0.0014","90","","127.686","0.001","90","","4068.1","0.4","213","2","213","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H52 B2 Fe2 N2 -","- C50 H52 B2 Fe2 N2 -","- C200 H208 B8 Fe8 N8 -","4","0.5","","Pakkirisamy, Thilagar; Venkatasubbaiah, Krishnan; Kassel, W. Scott; Rheingold, Arnold L.; Jäkle, Frieder","Examination of the Pyridine Binding to the Bifunctional Lewis Acid B,B′-Diphenyldiboradiferrocene","Organometallics","2008","27","13","3056","","10.1021/om8001608","","","0.71073","MoKα","","0.061","0.0527","","","0.1257","0.1303","","","","","","1.15","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071421","10.604","0.017","17.3","0.02","38.19","0.05","90","","90","","90","","7006","17","130","2","130","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H51 O3 S2 Sc Si -","- C32 H51 O3 S2 Sc Si -","- C256 H408 O24 S16 Sc8 Si8 -","8","1","","Konkol, Marcin; Kondracka, Malgorzata; Voth, Peter; Spaniol, Thomas P.; Okuda, Jun","Rare-Earth Metal Alkyl and Hydrido Complexes Containing a Thioether-Functionalized Bis(phenolato) Ligand: Efficient Catalysts for Olefin Hydrosilylation","Organometallics","2008","27","15","3774","","10.1021/om800161u","","","0.71073","MoKα","","0.1459","0.0705","","","0.1091","0.126","","","","","","1.007","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071422","13.4712","0.0012","27.631","0.003","13.4928","0.0012","90","","114.665","0.001","90","","4564.1","0.8","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H71 Lu O6 S2 Si -","- C43 H71 Lu O6 S2 Si -","- C172 H284 Lu4 O24 S8 Si4 -","4","1","","Konkol, Marcin; Kondracka, Malgorzata; Voth, Peter; Spaniol, Thomas P.; Okuda, Jun","Rare-Earth Metal Alkyl and Hydrido Complexes Containing a Thioether-Functionalized Bis(phenolato) Ligand: Efficient Catalysts for Olefin Hydrosilylation","Organometallics","2008","27","15","3774","","10.1021/om800161u","","","0.71073","MoKα","","0.0452","0.0364","","","0.0948","0.1001","","","","","","1.093","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071423","13.2096","0.0013","26.185","0.003","27.025","0.003","90","","96.358","0.002","90","","9290.3","1.7","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H68 Lu O4 S3 -","- C45 H68 Lu O4 S3 -","- C360 H544 Lu8 O32 S24 -","8","1","","Konkol, Marcin; Kondracka, Malgorzata; Voth, Peter; Spaniol, Thomas P.; Okuda, Jun","Rare-Earth Metal Alkyl and Hydrido Complexes Containing a Thioether-Functionalized Bis(phenolato) Ligand: Efficient Catalysts for Olefin Hydrosilylation","Organometallics","2008","27","15","3774","","10.1021/om800161u","","","0.71073","MoKα","","0.1031","0.0762","","","0.1516","0.1623","","","","","","1.161","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071424","15.6035","0.0005","22.6982","0.0005","32.5487","0.0009","90","","90","","90","","11527.8","0.6","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C106 H136 Cl O25 P5 Sn5 -","- C106 H134 Cl O25 P5 Sn5 -","- C424 H536 Cl4 O100 P20 Sn20 -","4","1","","Murugavel, Ramaswamy; Shanmugan, Swaminathan","Asymmetric Pentameric and Tetrameric Organooxotin Clusters: Insights into Their Formation through Partial Dearylation","Organometallics","2008","27","12","2784","","10.1021/om800162s","","","0.71073","MoKα","","0.1013","0.0579","","","0.1242","0.1423","","","","","","0.984","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071425","15.7555","0.0002","22.6489","0.0003","32.587","0.0005","90","","90","","90","","11628.5","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C108 H140 Cl O25 P5 Sn5 -","- C108 H137 Cl O25 P5 Sn5 -","- C432 H548 Cl4 O100 P20 Sn20 -","4","1","","Murugavel, Ramaswamy; Shanmugan, Swaminathan","Asymmetric Pentameric and Tetrameric Organooxotin Clusters: Insights into Their Formation through Partial Dearylation","Organometallics","2008","27","12","2784","","10.1021/om800162s","","","0.71073","MoKα","","0.0711","0.0555","","","0.1276","0.1384","","","","","","1.113","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071426","50.9261","0.0017","13.6704","0.0017","24.9438","0.0009","90","","91.687","0.006","90","","17358","2","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C76 H89 O24 P5 Sn4 -","- C76 H82 O24 P5 Sn4 -","- C608 H656 O192 P40 Sn32 -","8","1","","Murugavel, Ramaswamy; Shanmugan, Swaminathan","Asymmetric Pentameric and Tetrameric Organooxotin Clusters: Insights into Their Formation through Partial Dearylation","Organometallics","2008","27","12","2784","","10.1021/om800162s","","","0.71073","MoKα","","0.1194","0.0683","","","0.129","0.1499","","","","","","1.069","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071427","14.684","0.003","22.008","0.004","18.693","0.003","90","","107.72","0.002","90","","5754.3","1.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H80 O2 P2 Pt -","- C68 H80 O2 P2 Pt -","- C272 H320 O8 P8 Pt4 -","4","1","","Hayashi, Kyohei; Nakatani, Mitsuharu; Hayashi, Akito; Takano, Masato; Okazaki, Masaaki; Toyota, Kozo; Yoshifuji, Masaaki; Ozawa, Fumiyuki","Synthesis and Structures of Platinum(0) Alkyne Complexes with Extended π-Conjugated Systems","Organometallics","2008","27","9","1970","","10.1021/om800163p","","","0.7107","MoKα","","0.0319","0.0266","","","0.0586","0.061","","","","","","1.085","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071428","7.6273","0.0009","10.2369","0.0013","20.343","0.002","89.231","0.003","79.744","0.003","88.209","0.002","1562.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","[Ag2L(AgNO3)6(H2O)]","","","- C18 H14 Ag8 N6 O21 -","- C18 H14 Ag8 N6 O21 -","- C36 H28 Ag16 N12 O42 -","2","1","","Zang, Shuang-Quan; Zhao, Liang; Mak, Thomas C. W.","Diverse Intermolecular Interactions in Metal−Organic Frameworks Constructed with the New Supramolecular Synthon Agn−L−Agn(n= 4, 5) (H2L = 2,2′-Bis(prop-2-ynyloxy)biphenyl)","Organometallics","2008","27","11","2396","","10.1021/om800165x","","","0.71073","MoKα","","0.073","0.0475","","","0.1097","0.1197","","","","","","1.032","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071429","11.6074","0.0015","12.2988","0.0015","22.4969","0.0019","90","","120.287","0.004","90","","2773.2","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","[Ag(L)0.5(AgCF3COO)4(H2O)2]","","","- C17 H10 Ag5 F12 O11 -","- C17 H10 Ag5 F12 O11 -","- C68 H40 Ag20 F48 O44 -","4","1","","Zang, Shuang-Quan; Zhao, Liang; Mak, Thomas C. W.","Diverse Intermolecular Interactions in Metal−Organic Frameworks Constructed with the New Supramolecular Synthon Agn−L−Agn(n= 4, 5) (H2L = 2,2′-Bis(prop-2-ynyloxy)biphenyl)","Organometallics","2008","27","11","2396","","10.1021/om800165x","","","0.71073","MoKα","","0.0481","0.0408","","","0.1033","0.1072","","","","","","1.057","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071430","11.789","0.003","15.211","0.004","18.017","0.005","70.96","0.005","73.919","0.006","72.171","0.005","2850.6","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","[Ag2(L)(AgCF3COO)7(CH3CN)3(?-H2O)]","","","- C38 H23 Ag9 F21 N3 O17 -","- C38 H23 Ag9 F21 N3 O17 -","- C76 H46 Ag18 F42 N6 O34 -","2","1","","Zang, Shuang-Quan; Zhao, Liang; Mak, Thomas C. W.","Diverse Intermolecular Interactions in Metal−Organic Frameworks Constructed with the New Supramolecular Synthon Agn−L−Agn(n= 4, 5) (H2L = 2,2′-Bis(prop-2-ynyloxy)biphenyl)","Organometallics","2008","27","11","2396","","10.1021/om800165x","","","0.71073","MoKα","","0.0883","0.0538","","","0.131","0.1445","","","","","","1.033","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071431","13.2855","0.0011","14.8771","0.0011","22.0379","0.0016","84.917","0.006","79.096","0.006","68.619","0.006","3981.9","0.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C59 H107 B22 Ir N6 O2 P2 Sn2 -","- C59 H107 B22 Ir N6 O2 P2 Sn2 -","- C118 H214 B44 Ir2 N12 O4 P4 Sn4 -","2","1","","Kirchmann, Marius; Fleischhauer, Sebastian; Wesemann, Lars","Iridium Coordination Compounds of Stanna-closo-dodecaborate","Organometallics","2008","27","12","2803","","10.1021/om8001679","","","0.71073","MoKα","","0.0739","0.0542","","","0.1235","0.1333","","","","","","1.078","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071432","12.381","0.005","14.88","0.003","13.831","0.004","90","","98.11","0.03","90","","2522.6","1.4","173","2","173","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C46 H61 B11 Ir N O2 P2 Sn -","- C46 H61 B11 Ir N O2 P2 Sn -","- C92 H122 B22 Ir2 N2 O4 P4 Sn2 -","2","1","","Kirchmann, Marius; Fleischhauer, Sebastian; Wesemann, Lars","Iridium Coordination Compounds of Stanna-closo-dodecaborate","Organometallics","2008","27","12","2803","","10.1021/om8001679","","","0.71073","MoKα","","0.0338","0.0296","","","0.0559","0.057","","","","","","1.083","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071433","14.1852","0.0011","17.6952","0.0012","23.3093","0.0017","108.571","0.005","96.613","0.006","101.763","0.006","5326.5","0.7","173","2","173","2","","","","","","","","8","P 1","P 1","1","","","","- C47 H59 B11 Ir N3 O P2 Sn -","- C47 H59 B11 Ir N3 O P2 Sn -","- C188 H236 B44 Ir4 N12 O4 P8 Sn4 -","4","4","","Kirchmann, Marius; Fleischhauer, Sebastian; Wesemann, Lars","Iridium Coordination Compounds of Stanna-closo-dodecaborate","Organometallics","2008","27","12","2803","","10.1021/om8001679","","","0.71073","MoKα","","0.0812","0.061","","","0.1122","0.1251","","","","","","1.117","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071434","20.38","0.005","18.465","0.007","13.154","0.003","90","","97.689","0.019","90","","4906","2","173","2","173","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C44 H59 B11 Ir N O P2 Sn -","- C44 H59 B11 Ir N O P2 Sn -","- C176 H236 B44 Ir4 N4 O4 P8 Sn4 -","4","1","","Kirchmann, Marius; Fleischhauer, Sebastian; Wesemann, Lars","Iridium Coordination Compounds of Stanna-closo-dodecaborate","Organometallics","2008","27","12","2803","","10.1021/om8001679","","","0.71073","MoKα","","0.1531","0.1046","","","0.1645","0.1796","","","","","","1.237","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4071435","18.7819","0.0011","21.2139","0.0011","35.3915","0.0016","90","","90","","90","","14101.3","1.3","173","2","173","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C55 H94 B22 Ir N4 O P2 Sn2 -","- C55 H94 B22 Ir N4 O P2 Sn2 -","- C440 H752 B176 Ir8 N32 O8 P16 Sn16 -","8","1","","Kirchmann, Marius; Fleischhauer, Sebastian; Wesemann, Lars","Iridium Coordination Compounds of Stanna-closo-dodecaborate","Organometallics","2008","27","12","2803","","10.1021/om8001679","","","0.71073","MoKα","","0.1144","0.0677","","","0.0987","0.1107","","","","","","1.135","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071436","9.888","0.002","11.153","0.003","12.721","0.003","73.878","0.003","85.735","0.003","64.925","0.003","1219.2","0.5","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H82 O2 Si4 Y2 -","- C40 H82 O2 Si4 Y2 -","- C40 H82 O2 Si4 Y2 -","1","0.5","","Cui, Dongmei; Nishiura, Masayoshi; Tardif, Olivier; Hou, Zhaomin","Rare-Earth-Metal Mixed Hydride/Aryloxide Complexes Bearing Mono(cyclopentadienyl) Ligands. Synthesis, CO2Fixation, and Catalysis on Copolymerization of CO2with Cyclohexene Oxide","Organometallics","2008","27","11","2428","","10.1021/om800170x","","","0.71073","MoKα","","0.0619","0.0394","","","0.0686","0.0709","","","","","","1.03","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071437","9.9249","0.0008","11.2281","0.0009","12.7924","0.001","73.973","0.001","85.791","0.002","64.861","0.001","1238.79","0.17","193","1","193","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H82 Dy2 O2 Si4 -","- C40 H82 Dy2 O2 Si4 -","- C40 H82 Dy2 O2 Si4 -","1","0.5","","Cui, Dongmei; Nishiura, Masayoshi; Tardif, Olivier; Hou, Zhaomin","Rare-Earth-Metal Mixed Hydride/Aryloxide Complexes Bearing Mono(cyclopentadienyl) Ligands. Synthesis, CO2Fixation, and Catalysis on Copolymerization of CO2with Cyclohexene Oxide","Organometallics","2008","27","11","2428","","10.1021/om800170x","","","0.71073","MoKα","","0.0327","0.0293","","","0.0748","0.076","","","","","","0.986","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071438","13.2388","0.0011","10.2802","0.0009","20.5965","0.0018","90","","91.044","0.002","90","","2802.7","0.4","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H90 O2 Si2 Y2 -","- C54 H90 O2 Si2 Y2 -","- C108 H180 O4 Si4 Y4 -","2","0.5","","Cui, Dongmei; Nishiura, Masayoshi; Tardif, Olivier; Hou, Zhaomin","Rare-Earth-Metal Mixed Hydride/Aryloxide Complexes Bearing Mono(cyclopentadienyl) Ligands. Synthesis, CO2Fixation, and Catalysis on Copolymerization of CO2with Cyclohexene Oxide","Organometallics","2008","27","11","2428","","10.1021/om800170x","","","0.71073","MoKα","","0.0681","0.0405","","","0.0845","0.09","","","","","","1.02","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071439","13.211","0.0017","10.2343","0.0013","20.566","0.003","90","","91.11","0.002","90","","2780.1","0.6","193","1","193","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H90 Dy2 O2 Si2 -","- C54 H90 Dy2 O2 Si2 -","- C108 H180 Dy4 O4 Si4 -","2","0.5","","Cui, Dongmei; Nishiura, Masayoshi; Tardif, Olivier; Hou, Zhaomin","Rare-Earth-Metal Mixed Hydride/Aryloxide Complexes Bearing Mono(cyclopentadienyl) Ligands. Synthesis, CO2Fixation, and Catalysis on Copolymerization of CO2with Cyclohexene Oxide","Organometallics","2008","27","11","2428","","10.1021/om800170x","","","0.71073","MoKα","","0.0303","0.0233","","","0.0589","0.0614","","","","","","1.055","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071440","13.0585","0.0014","10.1678","0.0011","20.55","0.002","90","","91.842","0.001","90","","2727.1","0.5","193","1","193","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C54 H90 Lu2 O2 Si2 -","- C54 H90 Lu2 O2 Si2 -","- C108 H180 Lu4 O4 Si4 -","2","0.5","","Cui, Dongmei; Nishiura, Masayoshi; Tardif, Olivier; Hou, Zhaomin","Rare-Earth-Metal Mixed Hydride/Aryloxide Complexes Bearing Mono(cyclopentadienyl) Ligands. Synthesis, CO2Fixation, and Catalysis on Copolymerization of CO2with Cyclohexene Oxide","Organometallics","2008","27","11","2428","","10.1021/om800170x","","","0.71073","MoKα","","0.0348","0.0234","","","0.0422","0.0434","","","","","","0.997","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071441","13.3954","0.0009","13.4091","0.0009","17.5993","0.0011","90","","106.135","0.001","90","","3036.7","0.3","193","1","193","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H90 O10 Si2 Y2 -","- C58 H90 O10 Si2 Y2 -","- C116 H180 O20 Si4 Y4 -","2","0.5","","Cui, Dongmei; Nishiura, Masayoshi; Tardif, Olivier; Hou, Zhaomin","Rare-Earth-Metal Mixed Hydride/Aryloxide Complexes Bearing Mono(cyclopentadienyl) Ligands. Synthesis, CO2Fixation, and Catalysis on Copolymerization of CO2with Cyclohexene Oxide","Organometallics","2008","27","11","2428","","10.1021/om800170x","","","0.71073","MoKα","","0.0464","0.0299","","","0.0699","0.0801","","","","","","0.975","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071442","13.403","0.01","13.414","0.01","17.451","0.013","90","","105.954","0.011","90","","3017","4","193","1","193","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H90 Dy2 O10 Si2 -","- C58 H90 Dy2 O10 Si2 -","- C116 H180 Dy4 O20 Si4 -","2","0.5","","Cui, Dongmei; Nishiura, Masayoshi; Tardif, Olivier; Hou, Zhaomin","Rare-Earth-Metal Mixed Hydride/Aryloxide Complexes Bearing Mono(cyclopentadienyl) Ligands. Synthesis, CO2Fixation, and Catalysis on Copolymerization of CO2with Cyclohexene Oxide","Organometallics","2008","27","11","2428","","10.1021/om800170x","","","0.71073","MoKα","","0.0352","0.029","","","0.0955","0.1051","","","","","","1.02","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071443","12.2388","0.0012","16.5089","0.0015","15.1412","0.0014","90","","91.539","0.002","90","","3058.2","0.5","193","1","193","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H90 Lu2 O10 Si2 -","- C58 H90 Lu2 O10 Si2 -","- C116 H180 Lu4 O20 Si4 -","2","0.5","","Cui, Dongmei; Nishiura, Masayoshi; Tardif, Olivier; Hou, Zhaomin","Rare-Earth-Metal Mixed Hydride/Aryloxide Complexes Bearing Mono(cyclopentadienyl) Ligands. Synthesis, CO2Fixation, and Catalysis on Copolymerization of CO2with Cyclohexene Oxide","Organometallics","2008","27","11","2428","","10.1021/om800170x","","","0.71073","MoKα","","0.0269","0.0209","","","0.0512","0.0524","","","","","","1.007","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071444","11.2582","0.0005","19.0392","0.0008","20.541","0.0009","86.344","0.001","76.811","0.001","73.357","0.001","4107.2","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H51 Cu N2 Sn -","- C45 H51 Cu N2 Sn -","- C180 H204 Cu4 N8 Sn4 -","4","2","","Bhattacharyya, Koyel X.; Akana, Jennifer A.; Laitar, David S.; Berlin, Jacob M.; Sadighi, Joseph P.","Carbon−Carbon Bond Formation on Reaction of a Copper(I) Stannyl Complex with Carbon Dioxide","Organometallics","2008","27","12","2682","","10.1021/om8001729","","","0.71073","MoKα","","0.0384","0.0308","","","0.0725","0.0768","","","","","","1.053","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4071445","22.2579","0.0009","12.4609","0.0005","22.7399","0.0009","90","","104.602","0.001","90","","6103.3","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H41 Cu N2 O2 -","- C34 H41 Cu N2 O2 -","- C272 H328 Cu8 N16 O16 -","8","2","","Bhattacharyya, Koyel X.; Akana, Jennifer A.; Laitar, David S.; Berlin, Jacob M.; Sadighi, Joseph P.","Carbon−Carbon Bond Formation on Reaction of a Copper(I) Stannyl Complex with Carbon Dioxide","Organometallics","2008","27","12","2682","","10.1021/om8001729","","","0.71073","MoKα","","0.0496","0.0373","","","0.0918","0.0988","","","","","","1.037","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4071446","9.2928","0.0011","7.633","0.0009","12.4413","0.0015","90","","104.249","0.002","90","","855.34","0.18","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(Ethoxy-(benzo[b]thien-2-yl)-methylidene)-(pentacarbonyl)-chromium","","- C16 H10 Cr O6 S -","- C16 H10 Cr O6 S -","- C32 H20 Cr2 O12 S2 -","2","0.5","","Bezuidenhout, Daniela I.; van der Watt, Elisia; Liles, David C.; Landman, Marilé; Lotz, Simon","Steric and Electronic Effects of Metal-Containing Substituents in Fischer Carbene Complexes of Chromium","Organometallics","2008","27","11","2447","","10.1021/om8001735","","","0.71073","MoKα","","0.035","0.0324","","","0.0912","0.0952","","","","","","1.101","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071447","11.3041","0.0012","11.5751","0.0012","12.2429","0.0013","66.52","0.002","88.797","0.002","67.038","0.002","1335.6","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","((Chloro-bis(η^5^-pentadienyl)-titanium-oxy)-(benzo[b]thien-2-yl)-methylidene) -(pentacarbonyl)-chromium dichloromethane solvate","","- C25 H17 Cl3 Cr O6 S Ti -","- C25 H17 Cl3 Cr O6 S Ti -","- C50 H34 Cl6 Cr2 O12 S2 Ti2 -","2","1","","Bezuidenhout, Daniela I.; van der Watt, Elisia; Liles, David C.; Landman, Marilé; Lotz, Simon","Steric and Electronic Effects of Metal-Containing Substituents in Fischer Carbene Complexes of Chromium","Organometallics","2008","27","11","2447","","10.1021/om8001735","","","0.71073","MoKα","","0.2111","0.1185","","","0.3193","0.3474","","","","","","1.242","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071448","8.3523","0.0011","10.7547","0.0015","13.0118","0.0017","109.519","0.002","108.371","0.002","95.519","0.002","1018.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(Ethoxy-(η^6^-tricarbonylchromium-benzo[b]thien-2-yl)-methylidene)- (pentacarbonyl)-chromium","","- C19 H10 Cr2 O9 S -","- C19 H10 Cr2 O9 S -","- C38 H20 Cr4 O18 S2 -","2","1","","Bezuidenhout, Daniela I.; van der Watt, Elisia; Liles, David C.; Landman, Marilé; Lotz, Simon","Steric and Electronic Effects of Metal-Containing Substituents in Fischer Carbene Complexes of Chromium","Organometallics","2008","27","11","2447","","10.1021/om8001735","","","0.71073","MoKα","","0.0411","0.037","","","0.0992","0.104","","","","","","1.096","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4071449","11.26","0.002","12.083","0.002","23.804","0.004","90","","101.009","0.003","90","","3179","0.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","((Chloro-bis(η^5^-pentadienyl)-titanium-oxy)-(η^6^-tricarbonylchromium- benzo[b]thien-2-yl)-methylidene)-(pentacarbonyl)-chromium dichloromethane solvate","","- C28 H17 Cl3 Cr2 O9 S Ti -","- C28 H17 Cl3 Cr2 O9 S Ti -","- C112 H68 Cl12 Cr8 O36 S4 Ti4 -","4","1","","Bezuidenhout, Daniela I.; van der Watt, Elisia; Liles, David C.; Landman, Marilé; Lotz, Simon","Steric and Electronic Effects of Metal-Containing Substituents in Fischer Carbene Complexes of Chromium","Organometallics","2008","27","11","2447","","10.1021/om8001735","","","0.71073","MoKα","","0.0946","0.0525","","","0.1355","0.1623","","","","","","1.054","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4071450","9.9813","0.0004","15.865","0.0007","20.1457","0.0009","90","","101.723","0.001","90","","3123.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","(μ~2~-(ferrocen-1,1'-diyl)-(bis(η^5^-cyclopentadienyl)-dioxy-titanium- O,O')-dimethylidene-C,C')-bis(pentacarbonyl-chromium)","","- C32 H18 Cr2 Fe O12 Ti -","- C32 H18 Cr2 Fe O12 Ti -","- C128 H72 Cr8 Fe4 O48 Ti4 -","4","1","","Bezuidenhout, Daniela I.; van der Watt, Elisia; Liles, David C.; Landman, Marilé; Lotz, Simon","Steric and Electronic Effects of Metal-Containing Substituents in Fischer Carbene Complexes of Chromium","Organometallics","2008","27","11","2447","","10.1021/om8001735","","","0.71073","MoKα","","0.0409","0.0314","","","0.0825","0.0911","","","","","","1.082","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071451","12.391","0.0015","14.6211","0.0017","14.9681","0.0018","90","","90.047","0.002","90","","2711.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(μ~2~-(ferrocen-1,1'-diyl)-bis(ethoxy-methylidene)-C,C')- bis(pentacarbonyl-chromium)","","- C26 H18 Cr2 Fe O12 -","- C26 H18 Cr2 Fe O12 -","- C104 H72 Cr8 Fe4 O48 -","4","0.5","","Bezuidenhout, Daniela I.; van der Watt, Elisia; Liles, David C.; Landman, Marilé; Lotz, Simon","Steric and Electronic Effects of Metal-Containing Substituents in Fischer Carbene Complexes of Chromium","Organometallics","2008","27","11","2447","","10.1021/om8001735","","","0.71073","MoKα","","0.0408","0.0374","","","0.1075","0.1122","","","","","","1.076","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4071452","15.467","0.0007","15.8451","0.0007","15.8451","0.0007","90","","90","","90","","3883.3","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C21 H17 Cl N3 P Pd -","- C21 H17 Cl N3 P Pd -","- C168 H136 Cl8 N24 P8 Pd8 -","8","1","","Inés, Blanca; SanMartin, Raul; Churruca, Fátima; Domínguez, Esther; Urtiaga, Miren Karmele; Arriortua, María Isabel","A Nonsymmetric Pincer-Type Palladium Catalyst In Suzuki, Sonogashira, and Hiyama Couplings in Neat Water","Organometallics","2008","27","12","2833","","10.1021/om800175a","","","0.71073","MoKα","","0.0988","0.0951","","","0.1241","0.1254","","","","","","1.532","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071453","8.5229","0.0004","12.8739","0.0006","13.1035","0.0006","81.988","0.001","85.192","0.001","71.631","0.001","1349.96","0.11","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","Catena-(tetrakis(mu2-trifluoroacetateo-O,O') -bismuth(II)-rhodium(II)-pyrene)","","- C24 H10 Bi F12 O8 Rh -","- C24 H10 Bi F12 O8 Rh -","- C48 H20 Bi2 F24 O16 Rh2 -","2","1","","Dikarev, Evgeny V.; Li, Bo; Rogachev, Andrey Yu.; Zhang, Haitao; Petrukhina, Marina A.","Metal-Site-Controlled Arene Coordination in a Heterobimetallic Bi−Rh Complex with Pyrene","Organometallics","2008","27","15","3728","","10.1021/om8001763","","","0.71073","MoKα","","0.0234","0.0223","","","0.0572","0.0578","","","","","","1.082","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071454","8.2529","0.001","9.3214","0.0011","9.8706","0.0012","91.121","0.002","110.04","0.002","100.932","0.002","697.46","0.15","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","Catena-(tetrakis(mu2-trifluoroacetateo-O,O') -di(bismuth(II,II))-pyrene)","","- C24 H10 Bi2 F12 O8 -","- C24 H10 Bi2 F12 O8 -","- C24 H10 Bi2 F12 O8 -","1","0.5","","Dikarev, Evgeny V.; Li, Bo; Rogachev, Andrey Yu.; Zhang, Haitao; Petrukhina, Marina A.","Metal-Site-Controlled Arene Coordination in a Heterobimetallic Bi−Rh Complex with Pyrene","Organometallics","2008","27","15","3728","","10.1021/om8001763","","","0.71073","MoKα","","0.029","0.0265","","","0.0668","0.0681","","","","","","1.085","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071455","19.4008","0.0014","9.8601","0.0006","16.1374","0.0008","90","","121.044","0.002","90","","2644.8","0.3","243.1","","","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C27 H31 Cl2 N2 O V -","- C27 H31 Cl2 N2 O V -","- C108 H124 Cl8 N8 O4 V4 -","4","1","","Onishi, Yoshifumi; Katao, Shohei; Fujiki, Michiya; Nomura, Kotohiro","Synthesis and Structural Analysis of (Arylimido)vanadium(V) Complexes Containing Phenoxyimine Ligands: New, Efficient Catalyst Precursors for Ethylene Polymerization","Organometallics","2008","27","11","2590","","10.1021/om800177g","","","0.71075","MoKα","","","0.0323","","","","0.056","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071456","11.2178","0.0004","14.2133","0.0004","16.9951","0.0006","90","","90","","90","","2709.73","0.16","243.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H33 Cl2 N2 O V -","- C28 H33 Cl2 N2 O V -","- C112 H132 Cl8 N8 O4 V4 -","4","1","","Onishi, Yoshifumi; Katao, Shohei; Fujiki, Michiya; Nomura, Kotohiro","Synthesis and Structural Analysis of (Arylimido)vanadium(V) Complexes Containing Phenoxyimine Ligands: New, Efficient Catalyst Precursors for Ethylene Polymerization","Organometallics","2008","27","11","2590","","10.1021/om800177g","","","0.71075","MoKα","","","0.0293","","","","0.0594","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071457","18.7923","0.0003","19.5289","0.0004","19.3387","0.0004","90","","119.063","0.0007","90","","6203.5","0.2","243.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Cl2 N2 O V -","- C31 H39 Cl2 N2 O V -","- C248 H312 Cl16 N16 O8 V8 -","8","2","","Onishi, Yoshifumi; Katao, Shohei; Fujiki, Michiya; Nomura, Kotohiro","Synthesis and Structural Analysis of (Arylimido)vanadium(V) Complexes Containing Phenoxyimine Ligands: New, Efficient Catalyst Precursors for Ethylene Polymerization","Organometallics","2008","27","11","2590","","10.1021/om800177g","","","0.71075","MoKα","","","0.0332","","","","0.0951","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071458","37.8086","0.0015","9.6536","0.0004","20.2844","0.0007","90","","94.3971","0.0012","90","","7381.8","0.5","243.1","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H54 N3 O V -","- C38 H54 N3 O V -","- C304 H432 N24 O8 V8 -","8","1","","Onishi, Yoshifumi; Katao, Shohei; Fujiki, Michiya; Nomura, Kotohiro","Synthesis and Structural Analysis of (Arylimido)vanadium(V) Complexes Containing Phenoxyimine Ligands: New, Efficient Catalyst Precursors for Ethylene Polymerization","Organometallics","2008","27","11","2590","","10.1021/om800177g","","","0.71075","MoKα","","","0.0542","","","","0.1536","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071459","24.396","0.007","10.121","0.003","10.18","0.003","90","","96.305","0.005","90","","2498.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O4 S4 -","- C24 H28 N2 O4 S4 -","- C96 H112 N8 O16 S16 -","4","1","","Liu, Wei; Chen, Ya; Wang, Ru; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Rhenium(I) Tricarbonyl Complexes with New Pyridine Ligands Containing Crown Ether-Annelated or Anthracene-Functionalized 1,3-Dithiole-2-ylidene","Organometallics","2008","27","13","2990","","10.1021/om800178k","","","0.71073","MoKα","","0.1848","0.0771","","","0.1449","0.1789","","","","","","0.949","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071460","8.684","0.003","13.561","0.005","16.668","0.006","112.251","0.005","104.201","0.005","91.12","0.005","1747.3","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H29 Cl4 N2 O7 Re S4 -","- C28 H29 Cl4 N2 O7 Re S4 -","- C56 H58 Cl8 N4 O14 Re2 S8 -","2","1","","Liu, Wei; Chen, Ya; Wang, Ru; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Rhenium(I) Tricarbonyl Complexes with New Pyridine Ligands Containing Crown Ether-Annelated or Anthracene-Functionalized 1,3-Dithiole-2-ylidene","Organometallics","2008","27","13","2990","","10.1021/om800178k","","","0.71073","MoKα","","0.173","0.0743","","","0.1315","0.1576","","","","","","0.798","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071461","22.257","0.016","13.58","0.01","26.61","0.02","90","","95.969","0.015","90","","7999","10","291","2","291","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C35 H27 Br Cl3 N2 O5 Re S4 -","- C35 H27 Br Cl3 N2 O5 Re S4 -","- C280 H216 Br8 Cl24 N16 O40 Re8 S32 -","8","1","","Liu, Wei; Chen, Ya; Wang, Ru; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng","Rhenium(I) Tricarbonyl Complexes with New Pyridine Ligands Containing Crown Ether-Annelated or Anthracene-Functionalized 1,3-Dithiole-2-ylidene","Organometallics","2008","27","13","2990","","10.1021/om800178k","","","0.71073","MoKα","","0.0609","0.0442","","","0.0895","0.0925","","","","","","1.044","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071462","8.3994","0.0006","10.519","0.0006","22.0339","0.0014","90","","90","","90","","1946.8","0.2","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","Dr Athanasia Dervisi","","- C23 H30 N2 -","- C23 H30 N2 -","- C92 H120 N8 -","4","1","","Iglesias, Manuel; Beetstra, Dirk J.; Knight, James C.; Ooi, Li-Ling; Stasch, Andreas; Coles, Simon; Male, Louise; Hursthouse, Michael B.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.","Novel Expanded Ring N-Heterocyclic Carbenes: Free Carbenes, Silver Complexes, And Structures","Organometallics","2008","27","13","3279","","10.1021/om800179t","","","0.71073","MoKα","","0.1178","0.0819","","","0.1367","0.1542","","","","","","1.163","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071463","10.143","0.0004","11.374","0.0005","16.292","0.0007","87.179","0.002","86.37","0.0019","73.739","0.0018","1799.77","0.13","293","","293","","","","","","","","","2","P 1","P 1","1","","","","- C21 N2 -","- C21 N2 -","- C84 N8 -","4","4","","Iglesias, Manuel; Beetstra, Dirk J.; Knight, James C.; Ooi, Li-Ling; Stasch, Andreas; Coles, Simon; Male, Louise; Hursthouse, Michael B.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.","Novel Expanded Ring N-Heterocyclic Carbenes: Free Carbenes, Silver Complexes, And Structures","Organometallics","2008","27","13","3279","","10.1021/om800179t","","","0.71073","MoKα","","0.2742","0.2097","","0.4773","0.428","0.4773","","","","","","0.9893","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071464","8.3752","0.0017","22.935","0.005","21.51","0.004","90","","96.43","0.03","90","","4105.8","1.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 N2 O -","- C23 H32 N2 O -","- C184 H256 N16 O8 -","8","2","","Iglesias, Manuel; Beetstra, Dirk J.; Knight, James C.; Ooi, Li-Ling; Stasch, Andreas; Coles, Simon; Male, Louise; Hursthouse, Michael B.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.","Novel Expanded Ring N-Heterocyclic Carbenes: Free Carbenes, Silver Complexes, And Structures","Organometallics","2008","27","13","3279","","10.1021/om800179t","","","0.71073","MoKα","","0.1022","0.0554","","","0.1204","0.1386","","","","","","1.025","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071465","10.7457","0.0003","16.723","0.0005","17.9327","0.0006","90","","90","","90","","3222.51","0.17","150","","150","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 Ag Br Cl3 N2 -","- C29 H41 Ag Br Cl3 N2 -","- C116 H164 Ag4 Br4 Cl12 N8 -","4","1","","Iglesias, Manuel; Beetstra, Dirk J.; Knight, James C.; Ooi, Li-Ling; Stasch, Andreas; Coles, Simon; Male, Louise; Hursthouse, Michael B.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.","Novel Expanded Ring N-Heterocyclic Carbenes: Free Carbenes, Silver Complexes, And Structures","Organometallics","2008","27","13","3279","","10.1021/om800179t","","","0.71073","MoKα","","0.0853","0.059","","0.1397","0.1251","0.1397","","","","","","0.9486","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071466","8.4959","0.0001","19.0544","0.0002","13.9272","0.0002","90","","104.775","0.001","90","","2180.05","0.05","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Dr Athanasia Dervisi","","- C23 H30 Ag Br N2 -","- C23 H30 Ag Br N2 -","- C92 H120 Ag4 Br4 N8 -","4","1","","Iglesias, Manuel; Beetstra, Dirk J.; Knight, James C.; Ooi, Li-Ling; Stasch, Andreas; Coles, Simon; Male, Louise; Hursthouse, Michael B.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.","Novel Expanded Ring N-Heterocyclic Carbenes: Free Carbenes, Silver Complexes, And Structures","Organometallics","2008","27","13","3279","","10.1021/om800179t","","","0.71073","MoKα","","0.0807","0.0749","","","0.2259","0.2322","","","","","","1.043","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071467","16.288","0.003","15.495","0.003","8.3719","0.0017","90","","90","","90","","2112.9","0.7","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H26 Ag I N2 -","- C21 H26 Ag I N2 -","- C84 H104 Ag4 I4 N8 -","4","1","","Iglesias, Manuel; Beetstra, Dirk J.; Knight, James C.; Ooi, Li-Ling; Stasch, Andreas; Coles, Simon; Male, Louise; Hursthouse, Michael B.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.","Novel Expanded Ring N-Heterocyclic Carbenes: Free Carbenes, Silver Complexes, And Structures","Organometallics","2008","27","13","3279","","10.1021/om800179t","","","0.71073","MoKα","","0.0529","0.0452","","","0.1049","0.1096","","","","","","1.044","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071468","9.902","0.002","17.068","0.003","15.94","0.003","90","","107.68","0.03","90","","2566.7","0.9","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 Ag Br N2 -","- C27 H30 Ag Br N2 -","- C108 H120 Ag4 Br4 N8 -","4","1","","Iglesias, Manuel; Beetstra, Dirk J.; Knight, James C.; Ooi, Li-Ling; Stasch, Andreas; Coles, Simon; Male, Louise; Hursthouse, Michael B.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.","Novel Expanded Ring N-Heterocyclic Carbenes: Free Carbenes, Silver Complexes, And Structures","Organometallics","2008","27","13","3279","","10.1021/om800179t","","","0.71073","MoKα","","0.0483","0.0414","","","0.1028","0.1066","","","","","","1.079","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071469","12.038","0.005","12.986","0.005","12.608","0.005","90","0.005","97.311","0.005","90","0.005","1954.9","1.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 F6 N2 P -","- C21 H19 F6 N2 P -","- C84 H76 F24 N8 P4 -","4","1","","Iglesias, Manuel; Beetstra, Dirk J.; Knight, James C.; Ooi, Li-Ling; Stasch, Andreas; Coles, Simon; Male, Louise; Hursthouse, Michael B.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.","Novel Expanded Ring N-Heterocyclic Carbenes: Free Carbenes, Silver Complexes, And Structures","Organometallics","2008","27","13","3279","","10.1021/om800179t","","","0.71069","MoKα","","0.0513","0.0381","","","0.0935","0.1004","","","","","","1.042","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071470","9.87","0.002","22.911","0.005","8.2427","0.0016","90","","90","","90","","1863.9","0.7","150","2","150","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C22 H28 N2 -","- C22 H28 N2 -","- C88 H112 N8 -","4","0.5","","Iglesias, Manuel; Beetstra, Dirk J.; Knight, James C.; Ooi, Li-Ling; Stasch, Andreas; Coles, Simon; Male, Louise; Hursthouse, Michael B.; Cavell, Kingsley J.; Dervisi, Athanasia; Fallis, Ian A.","Novel Expanded Ring N-Heterocyclic Carbenes: Free Carbenes, Silver Complexes, And Structures","Organometallics","2008","27","13","3279","","10.1021/om800179t","","","0.71073","MoKα","","0.0521","0.041","","","0.1046","0.1115","","","","","","1.032","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071471","13.539","0.00001","23.098","0.00001","32.279","0.0002","90","","90","","90","","10094.4","0.06","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","in_paper_2","","","- C22 H42 Cl2 Ir N3 -","- C22 H42 Cl2 Ir N3 -","- C352 H672 Cl32 Ir16 N48 -","16","2","","Gott, Andrew L.; McGowan, Patrick C.; Temple, Claire N.","Controlling the Coordination Mode of 1,4,7-Triazacyclononane Complexes of Rhodium and Iridium and Evaluating Their Behavior as Phenylacetylene Polymerization Catalysts","Organometallics","2008","27","12","2852","","10.1021/om800180a","","","0.71073","MoKα","","0.0688","0.048","","","0.1251","0.1481","","","","","","1.08","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071472","9.465","0.0001","10.886","0.0001","14.286","0.0002","70.589","0.001","81.301","0.001","65.269","0.001","1260.84","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","in_paper_6","","","- C21 H41 Cl3 Ir N3 -","- C21 H41 Cl3 Ir N3 -","- C42 H82 Cl6 Ir2 N6 -","2","1","","Gott, Andrew L.; McGowan, Patrick C.; Temple, Claire N.","Controlling the Coordination Mode of 1,4,7-Triazacyclononane Complexes of Rhodium and Iridium and Evaluating Their Behavior as Phenylacetylene Polymerization Catalysts","Organometallics","2008","27","12","2852","","10.1021/om800180a","","","0.71073","MoKα","","0.0588","0.0569","","","0.1435","0.1457","","","","","","1.061","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071473","9.533","0.002","10.886","0.002","23.252","0.005","90","","91.804","0.001","90","","2411.8","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","in_paper_7","","","- C21 H39 F3 N3 O3 Rh S -","- C21 H39 F3 N3 O3 Rh S -","- C84 H156 F12 N12 O12 Rh4 S4 -","4","1","","Gott, Andrew L.; McGowan, Patrick C.; Temple, Claire N.","Controlling the Coordination Mode of 1,4,7-Triazacyclononane Complexes of Rhodium and Iridium and Evaluating Their Behavior as Phenylacetylene Polymerization Catalysts","Organometallics","2008","27","12","2852","","10.1021/om800180a","","","0.71073","MoKα","","0.0658","0.0454","","","0.1148","0.129","","","","","","1.046","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071474","21.59","0.004","23.061","0.005","14.538","0.003","90","","98.05","0.03","90","","7167","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","in_paper_8","","","- C20 H39 F6 N3 Rh Sb -","- C20 H39 F6 N3 Rh Sb -","- C240 H468 F72 N36 Rh12 Sb12 -","12","3","","Gott, Andrew L.; McGowan, Patrick C.; Temple, Claire N.","Controlling the Coordination Mode of 1,4,7-Triazacyclononane Complexes of Rhodium and Iridium and Evaluating Their Behavior as Phenylacetylene Polymerization Catalysts","Organometallics","2008","27","12","2852","","10.1021/om800180a","","","0.71073","MoKα","","0.1267","0.0652","","","0.2129","0.2552","","","","","","1.044","","","","has coordinates,has disorder","304654","2026-02-27","09:09:29",""
"4071475","9.532","0.0001","10.833","0.0001","23.082","0.0004","90","","91.304","0.001","90","","2382.83","0.05","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","in_paper_9","","","- C20 H39 F6 Ir N3 Sb -","- C20 H39 F6 Ir N3 Sb -","- C80 H156 F24 Ir4 N12 Sb4 -","4","1","","Gott, Andrew L.; McGowan, Patrick C.; Temple, Claire N.","Controlling the Coordination Mode of 1,4,7-Triazacyclononane Complexes of Rhodium and Iridium and Evaluating Their Behavior as Phenylacetylene Polymerization Catalysts","Organometallics","2008","27","12","2852","","10.1021/om800180a","","","0.71073","MoKα","","0.0591","0.0548","","","0.1414","0.1472","","","","","","1.061","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071476","8.575","0.0001","19.68","0.0003","19.295","0.0004","90","","115.481","0.001","90","","2939.42","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","in_paper_10","","","- C28 H51 Cl2 N3 Rh2 -","- C28 H51 Cl2 N3 Rh2 -","- C112 H204 Cl8 N12 Rh8 -","4","1","","Gott, Andrew L.; McGowan, Patrick C.; Temple, Claire N.","Controlling the Coordination Mode of 1,4,7-Triazacyclononane Complexes of Rhodium and Iridium and Evaluating Their Behavior as Phenylacetylene Polymerization Catalysts","Organometallics","2008","27","12","2852","","10.1021/om800180a","","","0.71073","MoKα","","0.0641","0.0532","","","0.1368","0.1441","","","","","","1.203","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071477","8.5172","0.0007","19.806","0.002","17.3502","0.0018","90","","90.554","0.006","90","","2926.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","in_paper_11","","","- C28 H51 Cl2 Ir2 N3 -","- C28 H51 Cl2 Ir2 N3 -","- C112 H204 Cl8 Ir8 N12 -","4","1","","Gott, Andrew L.; McGowan, Patrick C.; Temple, Claire N.","Controlling the Coordination Mode of 1,4,7-Triazacyclononane Complexes of Rhodium and Iridium and Evaluating Their Behavior as Phenylacetylene Polymerization Catalysts","Organometallics","2008","27","12","2852","","10.1021/om800180a","","","0.7107","MoKα","","0.0401","0.0375","","","0.0994","0.1012","","","","","","1.115","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071478","27.7184","0.001","9.8386","0.0003","19.6286","0.0007","90","","102.215","0.002","90","","5231.7","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H48 N3 Na Zn -","- C20 H48 N3 Na Zn -","- C160 H384 N24 Na8 Zn8 -","8","1","","Clegg, William; García-Álvarez, Joaquín; García-Álvarez, Pablo; Graham, David V.; Harrington, Ross W.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Russo, Luca","Synthesis, Structural Authentication, and Structurally Defined Metalation Reactions of Lithium and Sodium DA-Zincate Bases (DA = diisopropylamide) with Phenylacetylene†","Organometallics","2008","27","11","2654","","10.1021/om8001813","","","0.71073","MoKα","","0.1029","0.0491","","","0.0794","0.0943","","","","","","1.037","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071479","10.0802","0.0002","14.9984","0.0003","16.8398","0.0004","90","","94.22","0.001","90","","2539.05","0.09","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H48 Li N3 Zn -","- C20 H48 Li N3 Zn -","- C80 H192 Li4 N12 Zn4 -","4","1","","Clegg, William; García-Álvarez, Joaquín; García-Álvarez, Pablo; Graham, David V.; Harrington, Ross W.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Russo, Luca","Synthesis, Structural Authentication, and Structurally Defined Metalation Reactions of Lithium and Sodium DA-Zincate Bases (DA = diisopropylamide) with Phenylacetylene†","Organometallics","2008","27","11","2654","","10.1021/om8001813","","","0.71073","MoKα","","0.0616","0.0354","","","0.0782","0.0871","","","","","","1.061","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4071480","12.9978","0.0013","16.615","0.002","15.8875","0.0017","90","","118.218","0.007","90","","3023.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H86 Li2 N6 Zn2 -","- C58 H86 Li2 N6 Zn2 -","- C116 H172 Li4 N12 Zn4 -","2","0.5","","Clegg, William; García-Álvarez, Joaquín; García-Álvarez, Pablo; Graham, David V.; Harrington, Ross W.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Russo, Luca","Synthesis, Structural Authentication, and Structurally Defined Metalation Reactions of Lithium and Sodium DA-Zincate Bases (DA = diisopropylamide) with Phenylacetylene†","Organometallics","2008","27","11","2654","","10.1021/om8001813","","","0.71073","MoKα","","0.0404","0.0265","","","0.0603","0.0699","","","","","","1.108","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4071481","22.42","0.003","22.883","0.003","41.069","0.006","90","","90","","90","","21070","5","150","2","150","2","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C52 H70 N4 Na2 Zn2 -","- C52 H70 N4 Na2 Zn2 -","- C832 H1120 N64 Na32 Zn32 -","16","1","","Clegg, William; García-Álvarez, Joaquín; García-Álvarez, Pablo; Graham, David V.; Harrington, Ross W.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Russo, Luca","Synthesis, Structural Authentication, and Structurally Defined Metalation Reactions of Lithium and Sodium DA-Zincate Bases (DA = diisopropylamide) with Phenylacetylene†","Organometallics","2008","27","11","2654","","10.1021/om8001813","","","0.71073","MoKα","","0.0935","0.0533","","","0.1254","0.1654","","","","","","1.082","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4071482","11.6198","0.0006","9.6815","0.0006","18.3865","0.0011","90","","107.61","0.003","90","","1971.5","0.2","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H26 N2 Zn -","- C22 H26 N2 Zn -","- C88 H104 N8 Zn4 -","4","1","","Clegg, William; García-Álvarez, Joaquín; García-Álvarez, Pablo; Graham, David V.; Harrington, Ross W.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Russo, Luca","Synthesis, Structural Authentication, and Structurally Defined Metalation Reactions of Lithium and Sodium DA-Zincate Bases (DA = diisopropylamide) with Phenylacetylene†","Organometallics","2008","27","11","2654","","10.1021/om8001813","","","0.71073","MoKα","","0.0936","0.0523","","","0.1131","0.1281","","","","","","1.067","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071483","10.4058","0.0004","14.1317","0.0015","14.986","0.003","61.934","0.009","85.505","0.007","89.357","0.007","1937.8","0.5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H30 N2 Zn -","- C18 H30 N2 Zn -","- C72 H120 N8 Zn4 -","4","2","","Clegg, William; García-Álvarez, Joaquín; García-Álvarez, Pablo; Graham, David V.; Harrington, Ross W.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.; Russo, Luca","Synthesis, Structural Authentication, and Structurally Defined Metalation Reactions of Lithium and Sodium DA-Zincate Bases (DA = diisopropylamide) with Phenylacetylene†","Organometallics","2008","27","11","2654","","10.1021/om8001813","","","0.71073","MoKα","","0.0747","0.0379","","","0.0681","0.0786","","","","","","1.019","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071484","10.7729","0.0015","22.084","0.003","16.445","0.002","90","","93.904","0.003","90","","3903.3","0.9","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C38 H51 F3 N2 O4 Os S -","- C38 H51 F3 N2 O4 Os S -","- C152 H204 F12 N8 O16 Os4 S4 -","4","1","","Castarlenas, Ricardo; Esteruelas, Miguel A.; Oñate, Enrique","Preparation, X-ray Structure, and Reactivity of an Osmium-Hydroxo Complex Stabilized by an N-Heterocyclic Carbene Ligand: A Base-Free Catalytic Precursor for Hydrogen Transfer from 2-Propanol to Aldehydes","Organometallics","2008","27","13","3240","","10.1021/om800183k","","","0.71073","MoKα","","0.0783","0.0638","","","0.1373","0.1448","","","","","","1.009","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4071485","16.127","0.003","12.312","0.003","18.753","0.004","90","","114.684","0.005","90","","3383.3","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H51 Cl N2 Os -","- C37 H51 Cl N2 Os -","- C148 H204 Cl4 N8 Os4 -","4","1","","Castarlenas, Ricardo; Esteruelas, Miguel A.; Oñate, Enrique","Preparation, X-ray Structure, and Reactivity of an Osmium-Hydroxo Complex Stabilized by an N-Heterocyclic Carbene Ligand: A Base-Free Catalytic Precursor for Hydrogen Transfer from 2-Propanol to Aldehydes","Organometallics","2008","27","13","3240","","10.1021/om800183k","","","0.71073","MoKα","","0.0949","0.063","","","0.1068","0.1157","","","","","","1.11","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071486","11.5587","0.0001","24.323","0.0002","15.4742","0.0001","90","","119.913","0.0003","90","","3770.92","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 O5 P2 W -","- C38 H42 O5 P2 W -","- C152 H168 O20 P8 W4 -","4","1","","Jansen, Helen; Rosenthal, Amos J.; Slootweg, J. Chris; Ehlers, Andreas W.; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","Diastereoselective Formation of Complexed Methylenediphosphiranes","Organometallics","2008","27","12","2868","","10.1021/om800188h","","","0.71073","MoKα","","0.0289","0.022","","","0.0458","0.0479","","","","","","1.073","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071487","11.3216","0.0004","13.2755","0.0004","14.5331","0.0003","70.009","0.001","78.96","0.002","75.101","0.001","1970.75","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C43 H44 O5 P2 W -","- C43 H44 O5 P2 W -","- C86 H88 O10 P4 W2 -","2","1","","Jansen, Helen; Rosenthal, Amos J.; Slootweg, J. Chris; Ehlers, Andreas W.; Lutz, Martin; Spek, Anthony L.; Lammertsma, Koop","Diastereoselective Formation of Complexed Methylenediphosphiranes","Organometallics","2008","27","12","2868","","10.1021/om800188h","","","0.71073","MoKα","","0.0181","0.0149","","","0.0317","0.0324","","","","","","1.092","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071488","7.5675","0.0001","9.2846","0.0002","10.4913","0.0002","106.946","0.001","98.02","0.001","102.853","0.001","670.75","0.02","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H20 Fe Li N -","- C16 H20 Fe Li N -","- C32 H40 Fe2 Li2 N2 -","2","1","","Chen, Chao; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Structural Features of Lithio[3]ferrocenophane Systems Bearing Stabilizing Dimethylamino Substituents","Organometallics","2008","27","13","3248","","10.1021/om8001894","","","0.71073","MoKα","","0.0279","0.026","","","0.0683","0.0696","","","","","","1.049","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071489","21.6614","0.0003","10.6671","0.0002","19.0435","0.0003","90","","124.613","0.001","90","","3621.46","0.11","198","2","198","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H54 Fe2 Li4 N2 -","- C38 H54 Fe2 Li4 N2 -","- C152 H216 Fe8 Li16 N8 -","4","0.5","","Chen, Chao; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Structural Features of Lithio[3]ferrocenophane Systems Bearing Stabilizing Dimethylamino Substituents","Organometallics","2008","27","13","3248","","10.1021/om8001894","","","0.71073","MoKα","","0.0525","0.0371","","","0.0943","0.1023","","","","","","1.035","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071490","10.9229","0.0001","12.9582","0.0002","13.9885","0.0002","75.41","0.001","84.683","0.001","83.606","0.001","1899.88","0.04","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H50 Fe2 Li2 N2 O -","- C42 H50 Fe2 Li2 N2 O -","- C84 H100 Fe4 Li4 N4 O2 -","2","1","","Chen, Chao; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Structural Features of Lithio[3]ferrocenophane Systems Bearing Stabilizing Dimethylamino Substituents","Organometallics","2008","27","13","3248","","10.1021/om8001894","","","0.71073","MoKα","","0.0542","0.0398","","","0.0961","0.1038","","","","","","1.025","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071491","7.4443","0.0001","9.2993","0.0002","9.9602","0.0003","95.318","0.001","108.51","0.001","102.226","0.002","629.43","0.03","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 Fe Li N -","- C15 H18 Fe Li N -","- C30 H36 Fe2 Li2 N2 -","2","1","","Chen, Chao; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","Structural Features of Lithio[3]ferrocenophane Systems Bearing Stabilizing Dimethylamino Substituents","Organometallics","2008","27","13","3248","","10.1021/om8001894","","","0.71073","MoKα","","0.0443","0.0338","","","0.0758","0.08","","","","","","1.047","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071492","12.3162","0.0007","42.191","0.002","9.3853","0.0005","90","","111.791","0.003","90","","4528.4","0.4","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H78 Al2 Si8 -","- C28 H78 Al2 Si8 -","- C112 H312 Al8 Si32 -","4","1","","Uhl, Werner; Er, Elif; Hepp, Alexander; Kösters, Jutta; Grunenberg, Jörg","Reactions of Terminal Alkynes with a Bulky Dialkylaluminum Hydride: Hydroalumination versus Deprotonation","Organometallics","2008","27","14","3346","","10.1021/om800190f","","","1.54184","CuKα","","0.1102","0.0577","","","0.1462","0.1811","","","","","","1.07","","","","has coordinates,has disorder","178603","2020-10-21","18:00:00",""
"4071493","10.0479","0.0002","12.8181","0.0002","23.5244","0.0004","90","","101.95","0.001","90","","2964.16","0.09","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H49 Al Si4 -","- C20 H49 Al Si4 -","- C80 H196 Al4 Si16 -","4","1","","Uhl, Werner; Er, Elif; Hepp, Alexander; Kösters, Jutta; Grunenberg, Jörg","Reactions of Terminal Alkynes with a Bulky Dialkylaluminum Hydride: Hydroalumination versus Deprotonation","Organometallics","2008","27","14","3346","","10.1021/om800190f","","","1.54184","CuKα","","0.0534","0.0445","","","0.1242","0.1309","","","","","","1.086","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4071494","15.4927","0.0004","15.4927","0.0004","23.7644","0.0006","90","","90","","90","","5704","0.3","100","2","100","2","","","","","","","","4","I 41 c d","I 4bw -2c","110","","","","- C22 H45 Al Si4 -","- C22 H45 Al Si4 -","- C176 H360 Al8 Si32 -","8","0.5","","Uhl, Werner; Er, Elif; Hepp, Alexander; Kösters, Jutta; Grunenberg, Jörg","Reactions of Terminal Alkynes with a Bulky Dialkylaluminum Hydride: Hydroalumination versus Deprotonation","Organometallics","2008","27","14","3346","","10.1021/om800190f","","","1.54184","CuKα","","0.047","0.0419","","","0.0945","0.0961","","","","","","0.978","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4071495","10.554","0.0003","12.1864","0.0005","12.5117","0.0005","97.449","0.002","95.133","0.002","105.461","0.002","1524.87","0.1","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H49 Al Si5 -","- C19 H49 Al Si5 -","- C38 H98 Al2 Si10 -","2","1","","Uhl, Werner; Er, Elif; Hepp, Alexander; Kösters, Jutta; Grunenberg, Jörg","Reactions of Terminal Alkynes with a Bulky Dialkylaluminum Hydride: Hydroalumination versus Deprotonation","Organometallics","2008","27","14","3346","","10.1021/om800190f","","","1.54184","CuKα","","0.1242","0.0846","","","0.252","0.2918","","","","","","1.075","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4071496","10.321","0.001","10.501","0.001","14.223","0.001","74.03","0.01","74.6","0.01","82.79","0.01","1426.5","0.2","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 B F10 N2 Rh -","- C32 H28 B F10 N2 Rh -","- C64 H56 B2 F20 N4 Rh2 -","2","1","","Herrmann, Christoph; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Chemical Behavior of a Pair of (COD)CpRh and −Ir Complexes with Pendant Peripheral −B(C6F5)2Groups†","Organometallics","2008","27","10","2328","","10.1021/om800195d","","","0.71073","MoKα","","0.0755","0.0462","","","0.1007","0.1122","","","","","","1.005","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071497","10.335","0.001","10.481","0.001","14.273","0.001","74.01","0.01","74.64","0.01","83.01","0.01","1431.2","0.2","198","2","198","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H28 B F10 Ir N2 -","- C32 H28 B F10 Ir N2 -","- C64 H56 B2 F20 Ir2 N4 -","2","1","","Herrmann, Christoph; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Chemical Behavior of a Pair of (COD)CpRh and −Ir Complexes with Pendant Peripheral −B(C6F5)2Groups†","Organometallics","2008","27","10","2328","","10.1021/om800195d","","","0.71073","MoKα","","0.0304","0.0277","","","0.0685","0.0698","","","","","","1.066","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071498","9.319","0.001","11.981","0.001","17.343","0.001","109.96","0.01","94.35","0.01","100.45","0.01","1769.9","0.3","198","2","198","2","","","","","","","","7","P -1","-P 1","2","","","","- C37 H32 B Cl2 F10 N2 Rh -","- C37 H32 B Cl2 F10 N2 Rh -","- C74 H64 B2 Cl4 F20 N4 Rh2 -","2","1","","Herrmann, Christoph; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Chemical Behavior of a Pair of (COD)CpRh and −Ir Complexes with Pendant Peripheral −B(C6F5)2Groups†","Organometallics","2008","27","10","2328","","10.1021/om800195d","","","0.71073","MoKα","","0.0706","0.057","","","0.1493","0.1579","","","","","","1.037","","","","has coordinates","178603","2020-10-21","18:00:00",""
"4071499","9.378","0.001","11.921","0.001","17.189","0.001","70.04","0.01","79.63","0.01","79.52","0.01","1761.6","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C39.5 H34 B F10 Ir N2 -","- C39.5 H34 B F10 Ir N2 -","- C79 H68 B2 F20 Ir2 N4 -","2","1","","Herrmann, Christoph; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Chemical Behavior of a Pair of (COD)CpRh and −Ir Complexes with Pendant Peripheral −B(C6F5)2Groups†","Organometallics","2008","27","10","2328","","10.1021/om800195d","","","0.71073","MoKα","","0.0495","0.0349","","","0.0737","0.0805","","","","","","1.042","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071500","11.8637","0.0002","13.7856","0.0002","16.3812","0.0004","105.611","0.001","90.657","0.001","108.065","0.001","2439.88","0.08","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 B F10 Ir -","- C28 H22 B F10 Ir -","- C112 H88 B4 F40 Ir4 -","4","2","","Herrmann, Christoph; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Chemical Behavior of a Pair of (COD)CpRh and −Ir Complexes with Pendant Peripheral −B(C6F5)2Groups†","Organometallics","2008","27","10","2328","","10.1021/om800195d","","","0.71073","MoKα","","0.0648","0.0387","","","0.0849","0.0938","","","","","","1.041","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071501","10.2691","0.0001","19.219","0.0002","14.5208","0.0002","90","","96.108","0.001","90","","2849.58","0.06","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H27 B F10 Ir N -","- C32 H27 B F10 Ir N -","- C128 H108 B4 F40 Ir4 N4 -","4","1","","Herrmann, Christoph; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Chemical Behavior of a Pair of (COD)CpRh and −Ir Complexes with Pendant Peripheral −B(C6F5)2Groups†","Organometallics","2008","27","10","2328","","10.1021/om800195d","","","0.71073","MoKα","","0.0564","0.0333","","","0.0658","0.0719","","","","","","1.036","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071502","14.9279","0.0011","16.6872","0.0012","23.5871","0.0017","78.051","0.001","74.036","0.001","79.288","0.001","5474.5","0.7","200","2","200","2","","","","","","","","8","P -1","-P 1","2","[Ru(2-t-BuOOC-cyclopentanonato)(PNNP)]PF6","","","- C110.22 H110 Cl4.51 F12 N4 O6 P6 Ru2 -","- C110.227 H110 Cl4.506 F12 N4 O6 P6 Ru2 -","- C220.454 H220 Cl9.012 F24 N8 O12 P12 Ru4 -","2","1","","Santoro, Francesco; Althaus, Martin; Bonaccorsi, Cristina; Gischig, Sebastian; Mezzetti, Antonio","Acidic Ruthenium PNNP Complexes of Non-enolized 1,3-Dicarbonyl Compounds as Catalysts for Asymmetric Michael Addition","Organometallics","2008","27","15","3866","","10.1021/om800197y","","x-ray","0.71073","MoKα","","0.0573","0.0497","","","0.1364","0.1418","","","","","","1.041","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071503","11.8816","0.0012","16.0042","0.0017","16.4275","0.0017","96.802","0.002","97.407","0.002","93.83","0.002","3065.2","0.6","220","2","220","2","","","","","","","","8","P -1","-P 1","2","[Ru(MeC(O)-N-Bn-d-valerolactamato)(PNNP)]PF6","","","- C61.01 H52 Cl6 F6 N3 O2 P3 Ru -","- C61.01 H52 Cl6 F6 N3 O2 P3 Ru -","- C122.02 H104 Cl12 F12 N6 O4 P6 Ru2 -","2","1","","Santoro, Francesco; Althaus, Martin; Bonaccorsi, Cristina; Gischig, Sebastian; Mezzetti, Antonio","Acidic Ruthenium PNNP Complexes of Non-enolized 1,3-Dicarbonyl Compounds as Catalysts for Asymmetric Michael Addition","Organometallics","2008","27","15","3866","","10.1021/om800197y","","x-ray","0.71073","MoKα","","0.0848","0.062","","","0.1739","0.1924","","","","","","1.058","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071504","12.046","0.0005","20.6031","0.0009","20.3481","0.0009","90","","92.702","0.001","90","","5044.5","0.4","200","2","200","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C54 H56 B Cl2 F10 N2 O3 P3 Ru -","- C50 H48 B1.14 F6.82 N2 O5.328 P3.1887 Ru -","- C200 H192 B4.56 F27.28 N8 O21.312 P12.7548 Ru4 -","4","1","","Santoro, Francesco; Althaus, Martin; Bonaccorsi, Cristina; Gischig, Sebastian; Mezzetti, Antonio","Acidic Ruthenium PNNP Complexes of Non-enolized 1,3-Dicarbonyl Compounds as Catalysts for Asymmetric Michael Addition","Organometallics","2008","27","15","3866","","10.1021/om800197y","","","0.71073","MoKα","","0.0631","0.0545","","","0.1548","0.1606","","","","","","1.115","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071505","10.0999","0.0003","10.4971","0.0003","11.9202","0.0002","73.1794","0.0016","86.1036","0.0016","85.105","0.0011","1204.05","0.05","150","2","150","2","","","","","","","synthesized by the authors","6","P -1","-P 1","2","","","","- C18 H20 F6 O9 S2 Sn -","- C18 H20 F6 O9 S2 Sn -","- C36 H40 F12 O18 S4 Sn2 -","2","1","","Kašná, Blanka; Dostál, Libor; Jirásko, Robert; Císařová, Ivana; Jambor, Roman","Role of Y,C,Y-Chelating Ligands in Control Hydrolysis of Diorganotin Compounds†","Organometallics","2008","27","15","3743","","10.1021/om8002015","","","0.71073","MoKα","","0.0292","0.0254","","","0.058","0.0601","","","","","","1.04","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071506","13.7458","0.0003","9.3395","0.0001","19.9533","0.0004","90","","98.0965","0.0009","90","","2536.05","0.08","150","2","150","2","","","","","","","synthesized by the authors","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 F6 N2 O6 S2 Sn -","- C20 H24 F6 N2 O6 S2 Sn -","- C80 H96 F24 N8 O24 S8 Sn4 -","4","1","","Kašná, Blanka; Dostál, Libor; Jirásko, Robert; Císařová, Ivana; Jambor, Roman","Role of Y,C,Y-Chelating Ligands in Control Hydrolysis of Diorganotin Compounds†","Organometallics","2008","27","15","3743","","10.1021/om8002015","","","0.71073","MoKα","","0.0263","0.0243","","","0.0566","0.0575","","","","","","1.075","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071507","9.861","0.003","16.787","0.005","22.046","0.006","90","","90","","90","","3649.4","1.8","180","2","180","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H53 Cl2 N O2 Zr -","- C37 H53 Cl2 N O2 Zr -","- C148 H212 Cl8 N4 O8 Zr4 -","4","1","","Gott, Andrew L.; Clarke, Adam J.; Clarkson, Guy J.; Munslow, Ian J.; Wade, Andrew R.; Scott, Peter","Single Diastereomer Half-Sandwich Salicyloxazoline Complexes of Titanium and Zirconium","Organometallics","2008","27","12","2706","","10.1021/om8002027","","","0.71073","MoKα","","0.0778","0.0557","","","0.1311","0.1425","","","","","","1.047","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071508","9.9231","0.0006","17.3758","0.0011","9.9311","0.0006","90","","105.171","0.001","90","","1652.66","0.18","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H53 N O2 Zr -","- C33 H53 N O2 Zr -","- C66 H106 N2 O4 Zr2 -","2","1","","Gott, Andrew L.; Clarke, Adam J.; Clarkson, Guy J.; Munslow, Ian J.; Wade, Andrew R.; Scott, Peter","Single Diastereomer Half-Sandwich Salicyloxazoline Complexes of Titanium and Zirconium","Organometallics","2008","27","12","2706","","10.1021/om8002027","","","0.71073","MoKα","","0.0899","0.0502","","","0.0721","0.082","","","","","","0.916","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071509","14.5821","0.0012","15.1108","0.0012","15.6511","0.0013","90","","104.777","0.001","90","","3334.6","0.5","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C37 H36 Cl2 N5 O P Ru -","- C37 H36 Cl2 N5 O P Ru -","- C148 H144 Cl8 N20 O4 P4 Ru4 -","4","1","","Zeng, Fanlong; Yu, Zhengkun","Exceptionally Efficient Unsymmetrical Ruthenium(II) NNN Complex Catalysts Bearing a Pyridyl-Based Pyrazolyl−Imidazolyl Ligand for Transfer Hydrogenation of Ketones","Organometallics","2008","27","13","2898","","10.1021/om8002043","","","0.71073","MoKα","","0.0532","0.0506","","","0.1346","0.1394","","","","","","1.054","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071510","16.3548","0.0012","11.1683","0.0008","19.8291","0.0014","90","","107.635","0.001","90","","3451.7","0.4","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C37 H35 Cl N5 O P Ru S -","- C37 H35 Cl N5 O P Ru S -","- C148 H140 Cl4 N20 O4 P4 Ru4 S4 -","4","1","","Zeng, Fanlong; Yu, Zhengkun","Exceptionally Efficient Unsymmetrical Ruthenium(II) NNN Complex Catalysts Bearing a Pyridyl-Based Pyrazolyl−Imidazolyl Ligand for Transfer Hydrogenation of Ketones","Organometallics","2008","27","13","2898","","10.1021/om8002043","","","0.71073","MoKα","","0.0736","0.046","","","0.0917","0.0992","","","","","","0.91","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071511","28.5877","0.0018","10.1558","0.0006","21.7712","0.0014","90","","91.275","0.004","90","","6319.3","0.7","133","2","133","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H41 I N3 O1.5 Pd -","- C29 H36 I N3 O Pd -","- C232 H288 I8 N24 O8 Pd8 -","8","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Jones, Peter G.; Bautista, Delia","New Palladacycles Containing Terdentate [C,N,O]n−(n= 0, 1, 2) or Tetradentate [N,C,O,N′]n−(n= 1, 2) Ligands. The First 1,2-Dihydroquinazoline-4-yl Complexes","Organometallics","2008","27","13","3254","","10.1021/om800205g","","","0.71073","MoKα","","0.0433","0.0298","","","0.067","0.0706","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071512","12.1163","0.0005","13.7556","0.0006","15.558","0.0007","87.638","0.002","80.44","0.002","64.323","0.002","2303.11","0.18","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C50.12 H49.34 Cl1.77 I N O1.55 P2 Pd -","- C50.114 H49.342 Cl1.772 I N O1.557 P2 Pd -","- C100.228 H98.684 Cl3.544 I2 N2 O3.114 P4 Pd2 -","2","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Jones, Peter G.; Bautista, Delia","New Palladacycles Containing Terdentate [C,N,O]n−(n= 0, 1, 2) or Tetradentate [N,C,O,N′]n−(n= 1, 2) Ligands. The First 1,2-Dihydroquinazoline-4-yl Complexes","Organometallics","2008","27","13","3254","","10.1021/om800205g","","","0.71073","MoKα","","0.0527","0.0424","","","0.0845","0.0887","","","","","","1.051","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071513","12.8466","0.0011","12.9925","0.0011","13.6154","0.0011","90","","90","","90","","2272.5","0.3","133","2","133","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H28 F3 N3 O4 Pd S -","- C18 H28 F3 N3 O4 Pd S -","- C72 H112 F12 N12 O16 Pd4 S4 -","4","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Jones, Peter G.; Bautista, Delia","New Palladacycles Containing Terdentate [C,N,O]n−(n= 0, 1, 2) or Tetradentate [N,C,O,N′]n−(n= 1, 2) Ligands. The First 1,2-Dihydroquinazoline-4-yl Complexes","Organometallics","2008","27","13","3254","","10.1021/om800205g","","","0.71073","MoKα","","0.0444","0.0313","","","0.0625","0.0662","","","","","","0.976","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071514","17.7886","0.0018","13.7537","0.0013","35.728","0.004","90","","98.698","0.004","90","","8640.6","1.5","133","2","133","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H47 Cl4 F3 N3 O4 P Pd S -","- C38 H47 Cl4 F3 N3 O4 P Pd S -","- C304 H376 Cl32 F24 N24 O32 P8 Pd8 S8 -","8","2","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Jones, Peter G.; Bautista, Delia","New Palladacycles Containing Terdentate [C,N,O]n−(n= 0, 1, 2) or Tetradentate [N,C,O,N′]n−(n= 1, 2) Ligands. The First 1,2-Dihydroquinazoline-4-yl Complexes","Organometallics","2008","27","13","3254","","10.1021/om800205g","","","0.71073","MoKα","","0.1598","0.1136","","","0.2355","0.2528","","","","","","1.205","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071515","10.0442","0.0008","10.8695","0.0009","13.2366","0.0011","111.027","0.002","92.493","0.002","106.846","0.002","1273.29","0.18","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H31 I2 N3 O Pd -","- C21 H31 I2 N3 O Pd -","- C42 H62 I4 N6 O2 Pd2 -","2","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Jones, Peter G.; Bautista, Delia","New Palladacycles Containing Terdentate [C,N,O]n−(n= 0, 1, 2) or Tetradentate [N,C,O,N′]n−(n= 1, 2) Ligands. The First 1,2-Dihydroquinazoline-4-yl Complexes","Organometallics","2008","27","13","3254","","10.1021/om800205g","","","0.71073","MoKα","","0.0766","0.0434","","","0.0665","0.0721","","","","","","0.984","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071516","19.0732","0.0012","15.3618","0.0011","24.6074","0.0016","90","","90","","90","","7209.9","0.8","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C40 H40 N4 O2 Pd2 -","- C40 H40 N4 O2 Pd2 -","- C320 H320 N32 O16 Pd16 -","8","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Jones, Peter G.; Bautista, Delia","New Palladacycles Containing Terdentate [C,N,O]n−(n= 0, 1, 2) or Tetradentate [N,C,O,N′]n−(n= 1, 2) Ligands. The First 1,2-Dihydroquinazoline-4-yl Complexes","Organometallics","2008","27","13","3254","","10.1021/om800205g","","","0.71073","MoKα","","0.0564","0.0519","","","0.1023","0.1041","","","","","","1.383","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071517","15.7388","0.0011","20.4783","0.0012","16.6344","0.0011","90","","93.788","0.004","90","","5349.6","0.6","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C49 H58 F6 N4 O10 Pd2 S2 -","- C49 H58 F6 N4 O10 Pd2 S2 -","- C196 H232 F24 N16 O40 Pd8 S8 -","4","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Jones, Peter G.; Bautista, Delia","New Palladacycles Containing Terdentate [C,N,O]n−(n= 0, 1, 2) or Tetradentate [N,C,O,N′]n−(n= 1, 2) Ligands. The First 1,2-Dihydroquinazoline-4-yl Complexes","Organometallics","2008","27","13","3254","","10.1021/om800205g","","","0.71073","MoKα","","0.0716","0.038","","","0.0771","0.0907","","","","","","1.055","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071518","30.039","0.003","13.873","0.002","24.189","0.003","90","","124.729","0.004","90","","8284.6","1.8","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42.5 H44 F3 N4 O5.5 Pd2 S -","- C42.5 H41 F3 N4 O5.5 Pd2 S -","- C340 H328 F24 N32 O44 Pd16 S8 -","8","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Jones, Peter G.; Bautista, Delia","New Palladacycles Containing Terdentate [C,N,O]n−(n= 0, 1, 2) or Tetradentate [N,C,O,N′]n−(n= 1, 2) Ligands. The First 1,2-Dihydroquinazoline-4-yl Complexes","Organometallics","2008","27","13","3254","","10.1021/om800205g","","","0.71073","MoKα","","0.1089","0.0503","","","0.106","0.1339","","","","","","1.068","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071519","11.0431","0.0005","15.1683","0.0006","22.8535","0.0009","85.293","0.002","78.629","0.002","89.107","0.002","3740.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 N3 O Pd -","- C29 H29 N3 O Pd -","- C174 H174 N18 O6 Pd6 -","6","3","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Jones, Peter G.; Bautista, Delia","New Palladacycles Containing Terdentate [C,N,O]n−(n= 0, 1, 2) or Tetradentate [N,C,O,N′]n−(n= 1, 2) Ligands. The First 1,2-Dihydroquinazoline-4-yl Complexes","Organometallics","2008","27","13","3254","","10.1021/om800205g","","","0.71073","MoKα","","0.0435","0.0363","","","0.079","0.0821","","","","","","1.06","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071520","13.912","0.0011","23.1974","0.0016","16.0669","0.0011","90","","113.257","0.003","90","","4763.8","0.6","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Cl N3 O5 Pd -","- C21 H30 Cl N3 O5 Pd -","- C168 H240 Cl8 N24 O40 Pd8 -","8","2","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Jones, Peter G.; Bautista, Delia","New Palladacycles Containing Terdentate [C,N,O]n−(n= 0, 1, 2) or Tetradentate [N,C,O,N′]n−(n= 1, 2) Ligands. The First 1,2-Dihydroquinazoline-4-yl Complexes","Organometallics","2008","27","13","3254","","10.1021/om800205g","","","0.71073","MoKα","","0.0339","0.0246","","","0.058","0.0637","","","","","","1.056","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071521","7.5612","0.0003","15.6521","0.0006","15.8294","0.0006","113.26","0.003","97.223","0.003","103.022","0.003","1627.9","0.12","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H31 Cl4 N3 O5 Pd -","- C30 H31 Cl4 N3 O5 Pd -","- C60 H62 Cl8 N6 O10 Pd2 -","2","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Jones, Peter G.; Bautista, Delia","New Palladacycles Containing Terdentate [C,N,O]n−(n= 0, 1, 2) or Tetradentate [N,C,O,N′]n−(n= 1, 2) Ligands. The First 1,2-Dihydroquinazoline-4-yl Complexes","Organometallics","2008","27","13","3254","","10.1021/om800205g","","","0.71073","MoKα","","0.043","0.0313","","","0.0709","0.0763","","","","","","1.051","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071522","9.8875","0.0002","19.6683","0.0004","16.0188","0.0003","90","","102.863","0.001","90","","3037.01","0.1","133","2","133","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 I2 N3 O Pd -","- C29 H31 I2 N3 O Pd -","- C116 H124 I8 N12 O4 Pd4 -","4","1","","Vicente, José; Chicote, María Teresa; Martínez-Martínez, Antonio Jesús; Jones, Peter G.; Bautista, Delia","New Palladacycles Containing Terdentate [C,N,O]n−(n= 0, 1, 2) or Tetradentate [N,C,O,N′]n−(n= 1, 2) Ligands. The First 1,2-Dihydroquinazoline-4-yl Complexes","Organometallics","2008","27","13","3254","","10.1021/om800205g","","","0.71073","MoKα","","0.028","0.0216","","","0.0507","0.0542","","","","","","1.054","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071523","11.814","0.009","12.369","0.009","12.749","0.01","71.211","0.013","78.614","0.013","64.992","0.012","1594","2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H14 Fe -","- C22 H14 Fe -","- C88 H56 Fe4 -","4","2","","Packheiser, Rico; Ecorchard, Petra; Rüffer, Tobias; Lohan, Manja; Bräuer, Björn; Justaud, Frédéric; Lapinte, Claude; Lang, Heinrich","Heterotrimetallic M−M′−M′′ Transition Metal Complexes Based on 1,3,5-Triethynylbenzene: Synthesis, Solid State Structure, and Electrochemical and UV−Vis Characterization. EPR Analysis of thein SituGenerated Associated Radical Cations","Organometallics","2008","27","14","3444","","10.1021/om800206k","","","0.71073","MoKα","","0.0419","0.0326","","","0.0848","0.0913","","","","","","1.042","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071524","16.0242","0.0009","12.0532","0.0009","19.8283","0.0016","90","","101.457","0.005","90","","3753.4","0.5","100","","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H37 Fe N2 O3 Re -","- C43 H37 Fe N2 O3 Re -","- C172 H148 Fe4 N8 O12 Re4 -","4","1","","Packheiser, Rico; Ecorchard, Petra; Rüffer, Tobias; Lohan, Manja; Bräuer, Björn; Justaud, Frédéric; Lapinte, Claude; Lang, Heinrich","Heterotrimetallic M−M′−M′′ Transition Metal Complexes Based on 1,3,5-Triethynylbenzene: Synthesis, Solid State Structure, and Electrochemical and UV−Vis Characterization. EPR Analysis of thein SituGenerated Associated Radical Cations","Organometallics","2008","27","14","3444","","10.1021/om800206k","","","0.71073","MoKα","","0.0797","0.0343","","","0.0625","0.0776","","","","","","0.966","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071525","23.2869","0.001","12.9871","0.0005","24.1528","0.0009","90","","93.857","0.003","90","","7288","0.5","100","","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C80 H67 Cl4 Fe N2 O3 P2 Pt Re -","- C80 H67 Cl4 Fe N2 O3 P2 Pt Re -","- C320 H268 Cl16 Fe4 N8 O12 P8 Pt4 Re4 -","4","1","","Packheiser, Rico; Ecorchard, Petra; Rüffer, Tobias; Lohan, Manja; Bräuer, Björn; Justaud, Frédéric; Lapinte, Claude; Lang, Heinrich","Heterotrimetallic M−M′−M′′ Transition Metal Complexes Based on 1,3,5-Triethynylbenzene: Synthesis, Solid State Structure, and Electrochemical and UV−Vis Characterization. EPR Analysis of thein SituGenerated Associated Radical Cations","Organometallics","2008","27","14","3444","","10.1021/om800206k","","","0.71073","MoKα","","0.0546","0.0323","","","0.0759","0.0948","","","","","","1.108","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071526","25.5669","0.0005","11.378","0.0003","53.1036","0.0011","90","","91.512","0.002","90","","15442.5","0.6","100","","293","2","","","","","","","","9","P 1 2/c 1","-P 2yc","13","","","","- C85.5 H72.5 Cl4.5 Fe N2 O3 P2 Re Ru -","- C85.5 H72.5 Cl4.5 Fe N2 O3 P2 Re Ru -","- C684 H580 Cl36 Fe8 N16 O24 P16 Re8 Ru8 -","8","2","","Packheiser, Rico; Ecorchard, Petra; Rüffer, Tobias; Lohan, Manja; Bräuer, Björn; Justaud, Frédéric; Lapinte, Claude; Lang, Heinrich","Heterotrimetallic M−M′−M′′ Transition Metal Complexes Based on 1,3,5-Triethynylbenzene: Synthesis, Solid State Structure, and Electrochemical and UV−Vis Characterization. EPR Analysis of thein SituGenerated Associated Radical Cations","Organometallics","2008","27","14","3444","","10.1021/om800206k","","","0.71073","MoKα","","0.1543","0.1036","","","0.2156","0.2347","","","","","","1.122","","","","has coordinates,has disorder","304654","2026-02-27","09:09:29",""
"4071527","25.7473","0.0014","11.4332","0.0006","53.214","0.003","90","","91.527","0.005","90","","15659.3","1.5","125","","293","2","","","","","","","","9","P 1 2/c 1","-P 2yc","13","","","","- C85.5 H70.5 Cl4.5 Fe N2 O3 Os P2 Re -","- C85.5 H70.5 Cl4.5 Fe N2 O3 Os P2 Re -","- C684 H564 Cl36 Fe8 N16 O24 Os8 P16 Re8 -","8","2","","Packheiser, Rico; Ecorchard, Petra; Rüffer, Tobias; Lohan, Manja; Bräuer, Björn; Justaud, Frédéric; Lapinte, Claude; Lang, Heinrich","Heterotrimetallic M−M′−M′′ Transition Metal Complexes Based on 1,3,5-Triethynylbenzene: Synthesis, Solid State Structure, and Electrochemical and UV−Vis Characterization. EPR Analysis of thein SituGenerated Associated Radical Cations","Organometallics","2008","27","14","3444","","10.1021/om800206k","","","1.54184","CuKα","","0.1007","0.0695","","","0.1729","0.195","","","","","","1.032","","","","has coordinates,has disorder","304654","2026-02-27","09:09:29",""
"4071528","9.7494","0.0013","10.9847","0.0012","11.4996","0.0014","69.527","0.008","83.3","0.01","88.409","0.008","1145.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,6-Bis{chloro[3-(oxo-kappaO)-2-methyl-4-pyridinonato-kappaO4](eta^6^- p-isopropyltoluene)ruthenium}hexane chloroform solvate","","- C40 H52 Cl8 N2 O4 Ru2 -","- C40 H52 Cl8 N2 O4 Ru2 -","- C40 H52 Cl8 N2 O4 Ru2 -","1","0.5","","Mendoza-Ferri, Maria-Grazia; Hartinger, Christian G.; Eichinger, Rene E.; Stolyarova, Natalya; Severin, Kay; Jakupec, Michael A.; Nazarov, Alexey A.; Keppler, Bernhard K.","Influence of the Spacer Length on thein VitroAnticancer Activity of Dinuclear Ruthenium−Arene Compounds","Organometallics","2008","27","11","2405","","10.1021/om800207t","","","0.71073","MoKα","","0.0697","0.0453","","","0.1057","0.1134","","","","","","1.059","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071529","18.4389","0.0006","21.1079","0.0007","18.8695","0.0006","90","","95.313","0.001","90","","7312.6","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C72 H74 B F24 Mo N2 O3.5 -","- C72 H74 B F24 Mo N2 O3.5 -","- C288 H296 B4 F96 Mo4 N8 O14 -","4","1","","Jiang, Annie J.; Schrock, Richard R.; Müller, Peter","Cationic Molybdenum Imido Alkylidene Complexes","Organometallics","2008","27","17","4428","","10.1021/om800209b","","","0.71073","MoKα","","0.0602","0.0409","","","0.0927","0.1027","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071530","24.9162","0.0009","18.826","0.0007","28.0325","0.0011","90","","93.738","0.001","90","","13121.3","0.9","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C67 H58 B F24 Mo N3 -","- C67 H58 B F24 Mo N3 -","- C536 H464 B8 F192 Mo8 N24 -","8","2","","Jiang, Annie J.; Schrock, Richard R.; Müller, Peter","Cationic Molybdenum Imido Alkylidene Complexes","Organometallics","2008","27","17","4428","","10.1021/om800209b","","","0.71073","MoKα","","0.0716","0.0476","","","0.1068","0.1215","","","","","","1.05","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071531","11.379","0.0006","19.8001","0.001","18.8237","0.001","90","","99","0.001","90","","4188.9","0.4","203","2","203","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H57 Mo N3 -","- C48 H57 Mo N3 -","- C192 H228 Mo4 N12 -","4","1","","Jiang, Annie J.; Schrock, Richard R.; Müller, Peter","Cationic Molybdenum Imido Alkylidene Complexes","Organometallics","2008","27","17","4428","","10.1021/om800209b","","","0.71073","MoKα","","0.0435","0.0316","","","0.0769","0.0847","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4071532","16.2","0.002","22.5","0.003","20.048","0.003","90","","96.045","0.002","90","","7266.9","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H68 B F30 Mo N O4 -","- C70 H68 B F30 Mo N O4 -","- C280 H272 B4 F120 Mo4 N4 O16 -","4","1","","Jiang, Annie J.; Schrock, Richard R.; Müller, Peter","Cationic Molybdenum Imido Alkylidene Complexes","Organometallics","2008","27","17","4428","","10.1021/om800209b","","","0.71073","MoKα","","0.0482","0.0354","","","0.0874","0.097","","","","","","1.032","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071533","12.937","0.0004","12.9705","0.0004","22.1851","0.0007","89.343","0.001","75.477","0.001","85.394","0.001","3591.91","0.19","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H60 B Cl2 F30 Mo N O4 -","- C67.505 H73.012 B Cl F30 Mo N O4 -","- C135.01 H146.024 B2 Cl2 F60 Mo2 N2 O8 -","2","1","","Jiang, Annie J.; Schrock, Richard R.; Müller, Peter","Cationic Molybdenum Imido Alkylidene Complexes","Organometallics","2008","27","17","4428","","10.1021/om800209b","","","0.71073","MoKα","","0.0625","0.0525","","","0.1489","0.1575","","","","","","1.06","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071534","13.5758","0.0002","16.686","0.0004","21.1691","0.0004","112.593","0.0008","102.713","0.0007","91.7477","0.0009","4283.44","0.15","103","2","103","2","","","","","","","","7","P -1","-P 1","2","SiOSPt","","","- C78 H114 O P2 Pt S Si7 -","- C78 H114 O P2 Pt S Si7 -","- C156 H228 O2 P4 Pt2 S2 Si14 -","2","1","","Tanabe, Taro; Mizuhata, Yoshiyuki; Takeda, Nobuhiro; Tokitoh, Norihiro","Syntheses and Structures of Platinum Siloxides Bridged by a Sulfur or Selenium Atom and a Unique 1,3-Aryl Migration from Silicon to Platinum through the Si−O−Pt Linkages","Organometallics","2008","27","10","2156","","10.1021/om800210g","","","0.71069","MoKα","","0.0444","0.034","","","0.0781","0.0834","","","","","","1.066","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071535","13.5365","0.0009","16.6705","0.0012","21.273","0.0019","113.098","0.002","104.79","0.002","90.279","0.002","4239.5","0.6","103","2","103","2","","","","","","","","7","P -1","-P 1","2","SiOSePt","","","- C84 H112 O P2 Pt Se Si7 -","- C84 H112 O P2 Pt Se Si7 -","- C168 H224 O2 P4 Pt2 Se2 Si14 -","2","1","","Tanabe, Taro; Mizuhata, Yoshiyuki; Takeda, Nobuhiro; Tokitoh, Norihiro","Syntheses and Structures of Platinum Siloxides Bridged by a Sulfur or Selenium Atom and a Unique 1,3-Aryl Migration from Silicon to Platinum through the Si−O−Pt Linkages","Organometallics","2008","27","10","2156","","10.1021/om800210g","","","0.7107","MoKα","","0.0556","0.0443","","","0.0742","0.0779","","","","","","1.127","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071536","13.5846","0.0002","16.1667","0.0003","19.3688","0.0009","85.157","0.016","73.344","0.013","71.051","0.013","3854.2","0.4","103","2","103","2","","","","","","","","7","P -1","-P 1","2","SiOSePt_mig","","","- C72 H102 O2 P2 Pt Se Si7 -","- C72 H102 O2 P2 Pt Se Si7 -","- C144 H204 O4 P4 Pt2 Se2 Si14 -","2","1","","Tanabe, Taro; Mizuhata, Yoshiyuki; Takeda, Nobuhiro; Tokitoh, Norihiro","Syntheses and Structures of Platinum Siloxides Bridged by a Sulfur or Selenium Atom and a Unique 1,3-Aryl Migration from Silicon to Platinum through the Si−O−Pt Linkages","Organometallics","2008","27","10","2156","","10.1021/om800210g","","","0.7107","MoKα","","0.1422","0.0977","","","0.1821","0.205","","","","","","1.133","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071537","14.638","0.0005","14.638","0.0005","101.57","0.007","90","","90","","120","","18847.8","1.6","173","2","173","2","","","","","","","","7","R -3 :H","-R 3","148","","","","- C99 H210 Mn2 Na O9 S7 Si6 -","- C99 H210 Mn2 Na O9 S6.97 Si6 -","- C594 H1260 Mn12 Na6 O54 S41.82 Si36 -","6","0.333333","","Kückmann, Theresa I.; Schödel, Frauke; Sänger, Inge; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","Mixed-Valence Manganese Carbonyl Complexes with Supersilyl Thiolate Ligands: [(OC)4Mn(μ-SSitBu3)2Mn(THF)X] (X = Br, SSitBu3) and Na(THF)6[(OC)3Mn(μ-SSitBu3)3MnSSitBu3]","Organometallics","2008","27","13","3272","","10.1021/om800211k","","","0.71073","MoKα","","0.1766","0.1075","","","0.2847","0.3175","","","","","","1.036","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071538","23.1442","0.0011","17.4691","0.0006","23.2056","0.0012","90","","104.506","0.004","90","","9083.1","0.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H70 Mn Na O6 S2 Si2 -","- C36 H70 Mn Na O6 S2 Si2 -","- C288 H560 Mn8 Na8 O48 S16 Si16 -","8","2","","Kückmann, Theresa I.; Schödel, Frauke; Sänger, Inge; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","Mixed-Valence Manganese Carbonyl Complexes with Supersilyl Thiolate Ligands: [(OC)4Mn(μ-SSitBu3)2Mn(THF)X] (X = Br, SSitBu3) and Na(THF)6[(OC)3Mn(μ-SSitBu3)3MnSSitBu3]","Organometallics","2008","27","13","3272","","10.1021/om800211k","","","0.71073","MoKα","","0.0884","0.0566","","","0.1214","0.1345","","","","","","0.957","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071539","24.9621","0.0012","13.3952","0.0004","34.746","0.0018","90","","109.554","0.004","90","","10948","0.9","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H89 Mn2 O5 S3 Si3 -","- C44 H89 Mn2 O5 S3 Si3 -","- C352 H712 Mn16 O40 S24 Si24 -","8","1","","Kückmann, Theresa I.; Schödel, Frauke; Sänger, Inge; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","Mixed-Valence Manganese Carbonyl Complexes with Supersilyl Thiolate Ligands: [(OC)4Mn(μ-SSitBu3)2Mn(THF)X] (X = Br, SSitBu3) and Na(THF)6[(OC)3Mn(μ-SSitBu3)3MnSSitBu3]","Organometallics","2008","27","13","3272","","10.1021/om800211k","","","0.71073","MoKα","","0.1388","0.1296","","","0.2596","0.2642","","","","","","1.199","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071540","8.8106","0.0005","17.3613","0.0007","27.1951","0.0016","90","","92.666","0.005","90","","4155.4","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H62 Br Mn2 O5 S2 Si2 -","- C32 H62 Br Mn2 O5 S2 Si2 -","- C128 H248 Br4 Mn8 O20 S8 Si8 -","4","1","","Kückmann, Theresa I.; Schödel, Frauke; Sänger, Inge; Bolte, Michael; Wagner, Matthias; Lerner, Hans-Wolfram","Mixed-Valence Manganese Carbonyl Complexes with Supersilyl Thiolate Ligands: [(OC)4Mn(μ-SSitBu3)2Mn(THF)X] (X = Br, SSitBu3) and Na(THF)6[(OC)3Mn(μ-SSitBu3)3MnSSitBu3]","Organometallics","2008","27","13","3272","","10.1021/om800211k","","","0.71073","MoKα","","0.068","0.0405","","","0.0807","0.0881","","","","","","0.928","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071541","14.0161","0.0008","13.1551","0.0007","17.3099","0.001","90","","100.205","0.003","90","","3141.2","0.3","120","","120","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H46 Cl2 N P2 Rh Si -","- C28 H46 Cl2 N P2 Rh Si -","- C112 H184 Cl8 N4 P8 Rh4 Si4 -","4","1","","Gatard, Sylvain; Chen, Chun-Hsing; Foxman, Bruce M.; Ozerov, Oleg V.","Oxidative Addition Reactions of Silyl Halides with the (PNP)Rh Fragment","Organometallics","2008","27","23","6257","","10.1021/om800216h","","","0.71073","MoKα","","0.0551","0.0375","","0.112","0.0929","0.112","","","","","","0.9152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071542","30.0033","0.0008","11.4958","0.0003","18.824","0.0005","90","","111.205","0.001","90","","6053","0.3","120","","120","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C28 H47 Cl N P2 Rh Si -","- C28 H47 Cl N P2 Rh Si -","- C224 H376 Cl8 N8 P16 Rh8 Si8 -","8","1","","Gatard, Sylvain; Chen, Chun-Hsing; Foxman, Bruce M.; Ozerov, Oleg V.","Oxidative Addition Reactions of Silyl Halides with the (PNP)Rh Fragment","Organometallics","2008","27","23","6257","","10.1021/om800216h","","","0.71073","MoKα","","0.034","0.0271","","0.0644","0.0625","0.0644","","","","","","0.9732","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071543","15.962","0.002","10.6524","0.0014","17.215","0.002","90","","114.013","0.002","90","","2673.8","0.6","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 Cl N2 O3 Rh -","- C27 H36 Cl N2 O3 Rh -","- C108 H144 Cl4 N8 O12 Rh4 -","4","1","","Ito, Jun-ichi; Miyakawa, Takeshi; Nishiyama, Hisao","Amine-Assisted C−Cl Bond Activation of Aryl Chlorides by a (Phebox)Rh-Chloro Complex","Organometallics","2008","27","13","3312","","10.1021/om8002174","","","0.71073","MoKα","","0.0364","0.032","","","0.0803","0.0834","","","","","","1.081","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071544","13.364","0.004","15.834","0.005","16.154","0.005","105.268","0.007","97.952","0.006","90.103","0.007","3263.3","1.7","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.5 H33.5 Cl5 N3 O2 Rh -","- C26.75 H31 Cl5.5 N3 O2 Rh -","- C107 H124 Cl22 N12 O8 Rh4 -","4","2","","Ito, Jun-ichi; Miyakawa, Takeshi; Nishiyama, Hisao","Amine-Assisted C−Cl Bond Activation of Aryl Chlorides by a (Phebox)Rh-Chloro Complex","Organometallics","2008","27","13","3312","","10.1021/om8002174","","","0.71073","MoKα","","0.1251","0.0697","","","0.1737","0.2041","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071545","18.4637","0.0005","16.9235","0.0005","18.3509","0.0005","90","","35.985","0.0007","90","","3369.21","0.17","296.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H50 O Si4 -","- C30 H50 O Si4 -","- C120 H200 O4 Si16 -","4","1","","Naka, Akinobu; Ueda, Shinsuke; Ohshita, Joji; Kunai, Atsutaka; Miura, Toshiko; Kobayashi, Hisayoshi; Ishikawa, Mitsuo","Silicon−Carbon Unsaturated Compounds. 75. Thermal Isomerization of 2-Alkyl- and 2-Aryl-2-trimethylsiloxy-1,1-bis(trimethylsilyl)-1-silacyclohex-4-enes","Organometallics","2008","27","13","2922","","10.1021/om800219n","","","0.7107","MoKα","","","0.081","","","","0.088","","","","","","6.475","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071546","11.9964","0.0003","17.8392","0.0004","19.5444","0.0005","96.154","0.002","101.26","0.002","94.707","0.002","4055.66","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50.5 H54 B Cl Ru -","- C50.5 H40 B Cl Ru -","- C202 H160 B4 Cl4 Ru4 -","4","2","","Zhang, Li; Sung, Herman Ho-Yung; Williams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Reactions of Cp*RuCl(COD) with Alkynes: Isolation of Dinuclear Metallacyclopentatriene Complexes","Organometallics","2008","27","19","5122","","10.1021/om8002202","","","1.54178","CuKα","","0.0527","0.0429","","","0.1175","0.1246","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071547","18.5122","0.0001","11.5818","0.0001","27.5397","0.0002","90","","106.626","0.0006","90","","5657.79","0.07","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63.5 H70 B Cl2 Ru2 -","- C63.5 H63 B Cl2 Ru2 -","- C254 H252 B4 Cl8 Ru8 -","4","1","","Zhang, Li; Sung, Herman Ho-Yung; Williams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Reactions of Cp*RuCl(COD) with Alkynes: Isolation of Dinuclear Metallacyclopentatriene Complexes","Organometallics","2008","27","19","5122","","10.1021/om8002202","","","1.54184","CuKα","","0.0347","0.0294","","","0.0724","0.0754","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071548","11.5277","0.0008","12.1013","0.0009","35.559","0.003","90","","95.199","0.001","90","","4940.1","0.7","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H74.5 B Cl2 Ru2 -","- C58 H70 B Cl2 Ru2 -","- C232 H280 B4 Cl8 Ru8 -","4","1","","Zhang, Li; Sung, Herman Ho-Yung; Williams, Ian Duncan; Lin, Zhenyang; Jia, Guochen","Reactions of Cp*RuCl(COD) with Alkynes: Isolation of Dinuclear Metallacyclopentatriene Complexes","Organometallics","2008","27","19","5122","","10.1021/om8002202","","","0.71073","MoKα","","0.0413","0.0344","","","0.0772","0.0793","","","","","","1.082","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071549","13.241","0.006","26.387","0.012","11.576","0.005","90","","115.037","0.007","90","","3664","3","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H24 Cl6 Fe8 O28 S4 -","- C52 H24 Cl6 Fe8 O28 S4 -","- C104 H48 Cl12 Fe16 O56 S8 -","2","0.5","","Song, Li-Cheng; Fang, Xiao-Niu; Li, Chang-Gong; Yan, Jing; Bao, Hai-Lin; Hu, Qing-Mei","Novel μ-CO-Containing Butterfly Fe/S Cluster Anions Generated from Tetrathiols, Fe3(CO)12, and Et3N: Their Reactions with Electrophiles To Give Neutral Butterfly Fe/S Cluster Complexes","Organometallics","2008","27","13","3225","","10.1021/om800225y","","","0.71073","MoKα","","0.1056","0.0515","","","0.1299","0.1586","","","","","","1.017","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071550","12.876","0.001","14.8611","0.0011","17.0223","0.0013","103.426","0.001","94.687","0.001","108.111","0.001","2969.2","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H30 Fe6 O18 P2 S4 -","- C52 H30 Fe6 O18 P2 S4 -","- C104 H60 Fe12 O36 P4 S8 -","2","1","","Song, Li-Cheng; Fang, Xiao-Niu; Li, Chang-Gong; Yan, Jing; Bao, Hai-Lin; Hu, Qing-Mei","Novel μ-CO-Containing Butterfly Fe/S Cluster Anions Generated from Tetrathiols, Fe3(CO)12, and Et3N: Their Reactions with Electrophiles To Give Neutral Butterfly Fe/S Cluster Complexes","Organometallics","2008","27","13","3225","","10.1021/om800225y","","","0.71073","MoKα","","0.1268","0.0482","","","0.0707","0.0786","","","","","","1.051","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071551","13.7796","0.0017","20.849","0.003","40.694","0.005","90","","94.807","0.002","90","","11650","3","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H28 Fe6 O18 P2 S4 -","- C47 H28 Fe6 O18 P2 S4 -","- C376 H224 Fe48 O144 P16 S32 -","8","1","","Song, Li-Cheng; Fang, Xiao-Niu; Li, Chang-Gong; Yan, Jing; Bao, Hai-Lin; Hu, Qing-Mei","Novel μ-CO-Containing Butterfly Fe/S Cluster Anions Generated from Tetrathiols, Fe3(CO)12, and Et3N: Their Reactions with Electrophiles To Give Neutral Butterfly Fe/S Cluster Complexes","Organometallics","2008","27","13","3225","","10.1021/om800225y","","","0.71073","MoKα","","0.0907","0.0465","","","0.0919","0.1024","","","","","","0.94","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071552","11.825","0.01","17.627","0.015","12.708","0.012","90","","90","","90","","2649","4","294","2","294","2","","","","","","","","5","I b a 2","I 2 -2c","45","","","","- C8.5 H4 Fe2 O6 S2 -","- C8.5 H4 Fe2 O6 S2 -","- C68 H32 Fe16 O48 S16 -","8","1","","Song, Li-Cheng; Fang, Xiao-Niu; Li, Chang-Gong; Yan, Jing; Bao, Hai-Lin; Hu, Qing-Mei","Novel μ-CO-Containing Butterfly Fe/S Cluster Anions Generated from Tetrathiols, Fe3(CO)12, and Et3N: Their Reactions with Electrophiles To Give Neutral Butterfly Fe/S Cluster Complexes","Organometallics","2008","27","13","3225","","10.1021/om800225y","","","0.71073","MoKα","","0.0873","0.0723","","","0.1806","0.1958","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071553","10.312","0.0008","34.361","0.004","13.847","0.0009","90","0.006","117.132","0.006","90","0.007","4366.5","0.7","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H57 N6 Sb5 -","- C36 H57 N6 Sb5 -","- C144 H228 N24 Sb20 -","4","1","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Holeček, Jaroslav","Syntheses and Structures of Ar3Sb5and Ar4Sb4Compounds (Ar = C6H3-2,6-(CH2NMe2)2)","Organometallics","2008","27","10","2169","","10.1021/om800227m","","","0.71073","MoKα","","0.0548","0.0427","","","0.1008","0.108","","","","","","1.137","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071554","22.928","0.0005","22.602","0.0017","12.236","0.0008","90","0.005","90","0.003","90","0.004","6340.9","0.6","150","1","150","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C60 H88 N8 Sb4 -","- C48 H76 N8 Sb4 -","- C192 H304 N32 Sb16 -","4","0.5","","Dostál, Libor; Jambor, Roman; Růžička, Aleš; Holeček, Jaroslav","Syntheses and Structures of Ar3Sb5and Ar4Sb4Compounds (Ar = C6H3-2,6-(CH2NMe2)2)","Organometallics","2008","27","10","2169","","10.1021/om800227m","","","0.71073","MoKα","","0.0584","0.0434","","","0.1037","0.1097","","","","","","1.114","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071555","10.646","0.0015","9.0631","0.0013","14.374","0.002","90","","105.509","0.002","90","","1336.4","0.3","193","2","193","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H30 Cl2 N6 O2 Pd -","- C24 H30 Cl2 N6 O2 Pd -","- C48 H60 Cl4 N12 O4 Pd2 -","2","0.5","","Kawamura, Kenjiro; Haneda, Satoshi; Gan, Zhibin; Eda, Kazuo; Hayashi, Masahiko","2-Phenylimidazole−PdCl2and 2-Phenylimidazoline−PdCl2Complexes: Single-Crystal and Powder X-ray Diffractometry,1H NMR Spectra, and Comparison of Catalytic Activities in Coupling Reactions†","Organometallics","2008","27","15","3748","","10.1021/om800230y","","","0.71073","MoKα","","0.0319","0.0287","","","0.0765","0.0788","","","","","","1.024","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071556","7.745","0.003","12.647","0.004","11.215","0.003","90","","120.353","0.017","90","","947.9","0.6","296","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N4 Pd -","- C18 H20 Cl2 N4 Pd -","- C36 H40 Cl4 N8 Pd2 -","2","0.5","","Kawamura, Kenjiro; Haneda, Satoshi; Gan, Zhibin; Eda, Kazuo; Hayashi, Masahiko","2-Phenylimidazole−PdCl2and 2-Phenylimidazoline−PdCl2Complexes: Single-Crystal and Powder X-ray Diffractometry,1H NMR Spectra, and Comparison of Catalytic Activities in Coupling Reactions†","Organometallics","2008","27","15","3748","","10.1021/om800230y","","","0.71073","MoKα","","0.0301","0.0254","","","0.069","0.0723","","","","","","1.052","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071557","10.5073","0.0015","13.1943","0.0018","14.06","0.002","90","","105.395","0.002","90","","1879.3","0.5","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 Cl2 N4 Pd -","- C18 H20 Cl2 N4 Pd -","- C72 H80 Cl8 N16 Pd4 -","4","1","","Kawamura, Kenjiro; Haneda, Satoshi; Gan, Zhibin; Eda, Kazuo; Hayashi, Masahiko","2-Phenylimidazole−PdCl2and 2-Phenylimidazoline−PdCl2Complexes: Single-Crystal and Powder X-ray Diffractometry,1H NMR Spectra, and Comparison of Catalytic Activities in Coupling Reactions†","Organometallics","2008","27","15","3748","","10.1021/om800230y","","","0.71073","MoKα","","0.034","0.0309","","","0.0765","0.078","","","","","","1.025","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071558","11.6644","0.0005","18.1424","0.001","23.1605","0.0013","101.209","0.005","100.387","0.004","100.602","0.004","4605.5","0.4","100","","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C95 H82 Cl11 Fe N2 O4 P2 Pt Re Ru -","- C95 H82 Cl11 Fe N2 O4 P2 Pt Re Ru -","- C190 H164 Cl22 Fe2 N4 O8 P4 Pt2 Re2 Ru2 -","2","1","","Packheiser, Rico; Ecorchard, Petra; Rüffer, Tobias; Lang, Heinrich","Heteromultimetallic Transition Metal Complexes Based on Unsymmetrical Platinum(II) Bis-Acetylides","Organometallics","2008","27","14","3534","","10.1021/om800232m","","","0.71073","MoKα","","0.0724","0.0475","","","0.1309","0.1501","","","","","","1.091","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071559","9.7379","0.0009","20.428","0.002","26.946","0.003","75.718","0.01","80.444","0.009","82.966","0.009","5103.8","0.9","100","","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C109 H82 Cl7 N2 O3 Os2 P4 Re -","- C109 H82 Cl7 N2 O3 Os2 P4 Re -","- C218 H164 Cl14 N4 O6 Os4 P8 Re2 -","2","1","","Packheiser, Rico; Ecorchard, Petra; Rüffer, Tobias; Lang, Heinrich","Heteromultimetallic Transition Metal Complexes Based on Unsymmetrical Platinum(II) Bis-Acetylides","Organometallics","2008","27","14","3534","","10.1021/om800232m","","","1.54184","CuKα","","0.0764","0.0559","","","0.1573","0.1709","","","","","","1.038","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071560","8.969","0.0007","16.822","0.0014","12.0463","0.001","90","","96.564","0.007","90","","1805.6","0.3","180","2","180","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H42 F10 O6 Ti2 -","- C30 H42 F10 O6 Ti2 -","- C60 H84 F20 O12 Ti4 -","2","0.5","","Lorber, Christian; Choukroun, Robert; Vendier, Laure","Reactivity of B(C6F5)3with Simple Early Transition Metal Alkoxides: Alkoxide-Aryl Exchange, THF Ring-Opening, or Acetonitrile CC Coupling","Organometallics","2008","27","19","5017","","10.1021/om800234z","","","0.71073","MoKα","","0.0706","0.039","","","0.0862","0.0957","","","","","","0.928","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071561","9.4241","0.0011","9.5143","0.0012","11.2825","0.0014","75.416","0.015","67.418","0.014","78.047","0.015","897","0.2","180","2","180","","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C30 H42 F10 O6 V2 -","- C30 H42 F10 O6 V2 -","- C30 H42 F10 O6 V2 -","1","0.5","","Lorber, Christian; Choukroun, Robert; Vendier, Laure","Reactivity of B(C6F5)3with Simple Early Transition Metal Alkoxides: Alkoxide-Aryl Exchange, THF Ring-Opening, or Acetonitrile CC Coupling","Organometallics","2008","27","19","5017","","10.1021/om800234z","","","0.71073","MoKα","","0.0355","0.0335","","","0.0904","0.092","","","","","","1.062","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071562","20.2421","0.0015","20.231","0.0015","21.0455","0.0017","90","","112.96","0.008","90","","7935.7","1.2","180","","180","","","","","","","","synthesis as described","7","P 1 21/a 1","-P 2yab","14","","","","- C138 H198 B2 F40 N O22 Zr6 -","- C138 H198 B2 F40 N O22 Zr6 -","- C276 H396 B4 F80 N2 O44 Zr12 -","2","0.5","","Lorber, Christian; Choukroun, Robert; Vendier, Laure","Reactivity of B(C6F5)3with Simple Early Transition Metal Alkoxides: Alkoxide-Aryl Exchange, THF Ring-Opening, or Acetonitrile CC Coupling","Organometallics","2008","27","19","5017","","10.1021/om800234z","","","","MoKα","","0.1111","0.0474","","","0.1018","0.1191","","","","","","0.869","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071563","14.2611","0.0013","11.2276","0.0008","14.7056","0.0012","90","","115.967","0.009","90","","2116.9","0.3","180","","180","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H8 B F15 O -","- C22 H8 B F15 O -","- C88 H32 B4 F60 O4 -","4","1","","Lorber, Christian; Choukroun, Robert; Vendier, Laure","Reactivity of B(C6F5)3with Simple Early Transition Metal Alkoxides: Alkoxide-Aryl Exchange, THF Ring-Opening, or Acetonitrile CC Coupling","Organometallics","2008","27","19","5017","","10.1021/om800234z","","","","MoKα","","0.0877","0.0396","","","0.0845","0.0971","","","","","","0.86","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071564","14.1142","0.0005","15.6865","0.0005","18.9583","0.0006","90","","103.676","0.004","90","","4078.4","0.2","180","","180","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H136 N4 O14 Zr4 -","- C64 H136 N4 O14 Zr4 -","- C128 H272 N8 O28 Zr8 -","2","0.5","","Lorber, Christian; Choukroun, Robert; Vendier, Laure","Reactivity of B(C6F5)3with Simple Early Transition Metal Alkoxides: Alkoxide-Aryl Exchange, THF Ring-Opening, or Acetonitrile CC Coupling","Organometallics","2008","27","19","5017","","10.1021/om800234z","","","0.71073","MoKα","","0.0916","0.037","","","0.0948","0.133","","","","","","1.081","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071565","17.1407","0.0005","19.184","0.0006","26.3148","0.0008","90","","90","","90","","8653","0.5","160","","180","","","","","","","","synthesis as described","5","P b c a","-P 2ac 2ab","61","","","","- C34 H75 N O8 Zr2 -","- C34 H75 N O8 Zr2 -","- C272 H600 N8 O64 Zr16 -","8","1","","Lorber, Christian; Choukroun, Robert; Vendier, Laure","Reactivity of B(C6F5)3with Simple Early Transition Metal Alkoxides: Alkoxide-Aryl Exchange, THF Ring-Opening, or Acetonitrile CC Coupling","Organometallics","2008","27","19","5017","","10.1021/om800234z","","","0.71073","MoKα","","0.0728","0.0357","","","0.0939","0.1272","","","","","","1.162","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071566","10.872","0.002","11.866","0.003","12.017","0.003","110.37","0.02","105.386","0.018","98.153","0.018","1353.4","0.6","180","","180","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C48 H54 B2 F20 O8 Zr2 -","- C48 H54 B2 F20 O8 Zr2 -","- C48 H54 B2 F20 O8 Zr2 -","1","0.5","","Lorber, Christian; Choukroun, Robert; Vendier, Laure","Reactivity of B(C6F5)3with Simple Early Transition Metal Alkoxides: Alkoxide-Aryl Exchange, THF Ring-Opening, or Acetonitrile CC Coupling","Organometallics","2008","27","19","5017","","10.1021/om800234z","","","0.71073","MoKα","","0.0488","0.0404","","","0.0973","0.1023","","","","","","1.013","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071567","11.221","0.002","14.459","0.003","33.118","0.007","87.401","0.006","87.563","0.005","67.18","0.004","4945.7","1.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H76 B9 Na3 O7 -","- C38 H76 B9 Na3 O7 -","- C152 H304 B36 Na12 O28 -","4","2","","Wang, Yaorong; Liu, Dongmei; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metallacarboranes Containing the Ligand [Me2C(C5H4)(C2B9H10)]3−","Organometallics","2008","27","12","2825","","10.1021/om800235w","","","0.71073","MoKα","","0.2217","0.0928","","","0.2513","0.3107","","","","","","0.819","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4071568","30.143","0.003","12.9155","0.0015","18.608","0.002","90","","90","","90","","7244.3","1.4","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C22 H50 B9 Cl2 Na O6 Zr -","- C22 H50 B9 Cl2 Na O6 Zr -","- C176 H400 B72 Cl16 Na8 O48 Zr8 -","8","2","","Wang, Yaorong; Liu, Dongmei; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metallacarboranes Containing the Ligand [Me2C(C5H4)(C2B9H10)]3−","Organometallics","2008","27","12","2825","","10.1021/om800235w","","","0.71073","MoKα","","0.13","0.0815","","","0.1988","0.2179","","","","","","1.106","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071569","8.8238","0.0006","13.7493","0.001","15.3256","0.0011","74.175","0.002","89.627","0.001","82.88","0.002","1774.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H49 B9 Cl2 Li O6 Zr -","- C22 H49 B9 Cl2 Li O6 Zr -","- C44 H98 B18 Cl4 Li2 O12 Zr2 -","2","1","","Wang, Yaorong; Liu, Dongmei; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metallacarboranes Containing the Ligand [Me2C(C5H4)(C2B9H10)]3−","Organometallics","2008","27","12","2825","","10.1021/om800235w","","","0.71073","MoKα","","0.0948","0.0683","","","0.2061","0.2198","","","","","","1.07","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071570","16.3272","0.0009","11.6787","0.0007","19.0496","0.0011","90","","114.662","0.001","90","","3301.1","0.3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H44 B9 Cl Na O4 Zr -","- C23 H45 B9 Cl Na O4 Zr -","- C92 H180 B36 Cl4 Na4 O16 Zr4 -","4","1","","Wang, Yaorong; Liu, Dongmei; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metallacarboranes Containing the Ligand [Me2C(C5H4)(C2B9H10)]3−","Organometallics","2008","27","12","2825","","10.1021/om800235w","","","0.71073","MoKα","","0.0526","0.0374","","","0.1059","0.1134","","","","","","0.99","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071571","10.5338","0.0006","13.4462","0.0007","15.1478","0.0008","105.486","0.001","105.523","0.001","90.742","0.001","1983.97","0.19","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H57 B9 Cl Na O6 Zr -","- C29 H57 B9 Cl Na O6 Zr -","- C58 H114 B18 Cl2 Na2 O12 Zr2 -","2","1","","Wang, Yaorong; Liu, Dongmei; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metallacarboranes Containing the Ligand [Me2C(C5H4)(C2B9H10)]3−","Organometallics","2008","27","12","2825","","10.1021/om800235w","","","0.71073","MoKα","","0.0505","0.0424","","","0.1216","0.1269","","","","","","1.045","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071572","34.2695","0.0015","12.1865","0.0005","23.2721","0.001","90","","129.845","0.001","90","","7462.1","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H54 B9 N O Zr -","- C33 H54 B9 N O Zr -","- C264 H432 B72 N8 O8 Zr8 -","8","1","","Wang, Yaorong; Liu, Dongmei; Chan, Hoi-Shan; Xie, Zuowei","Synthesis, Structural Characterization, and Reactivity of Group 4 Metallacarboranes Containing the Ligand [Me2C(C5H4)(C2B9H10)]3−","Organometallics","2008","27","12","2825","","10.1021/om800235w","","","0.71073","MoKα","","0.0893","0.0626","","","0.1904","0.2188","","","","","","1.022","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071573","9.908","0.003","14.267","0.004","21.596","0.005","96.105","0.005","91.797","0.005","92.448","0.005","3030.7","1.4","130","2","130","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H22 I2 N2 Pt -","- C16 H22 I2 N2 Pt -","- C96 H132 I12 N12 Pt6 -","6","6","","Calmuschi-Cula, Beatrice; Englert, Ulli","Orthoplatination of Primary Amines","Organometallics","2008","27","13","3124","","10.1021/om800238j","","","0.71073","MoKα","","0.0371","0.0348","","","0.0819","0.0829","","","","","","1.027","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071574","4.6146","0.0003","11.7364","0.0008","29.866","0.002","90","","90","","90","","1617.51","0.19","173","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 I N2 Pt -","- C16 H21 I N2 Pt -","- C64 H84 I4 N8 Pt4 -","4","1","","Calmuschi-Cula, Beatrice; Englert, Ulli","Orthoplatination of Primary Amines","Organometallics","2008","27","13","3124","","10.1021/om800238j","","","0.71073","MoKα","","0.0331","0.0301","","","0.0609","0.0616","","","","","","1.07","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071575","11.311","0.002","4.6196","0.0009","15.981","0.003","90","","98.687","0.004","90","","825.5","0.3","130","2","130","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 I N2 Pt -","- C16 H21 I N2 Pt -","- C32 H42 I2 N4 Pt2 -","2","1","","Calmuschi-Cula, Beatrice; Englert, Ulli","Orthoplatination of Primary Amines","Organometallics","2008","27","13","3124","","10.1021/om800238j","","","0.71073","MoKα","","0.06","0.0524","","","0.0905","0.0928","","","","","","1.018","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071576","4.5846","0.0013","11.894","0.003","30.144","0.009","90","","90","","90","","1643.7","0.8","130","2","130","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 F2 I N2 Pt -","- C16 H19 F2 I N2 Pt -","- C64 H76 F8 I4 N8 Pt4 -","4","1","","Calmuschi-Cula, Beatrice; Englert, Ulli","Orthoplatination of Primary Amines","Organometallics","2008","27","13","3124","","10.1021/om800238j","","","0.71073","MoKα","","0.0572","0.0453","","","0.075","0.0766","","","","","","1.001","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071577","9.975","0.002","8.3934","0.0019","14.854","0.003","90","","104.246","0.004","90","","1205.4","0.4","130","2","130","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C26 H25 I N P Pt -","- C26 H25 I N P Pt -","- C52 H50 I2 N2 P2 Pt2 -","2","1","","Calmuschi-Cula, Beatrice; Englert, Ulli","Orthoplatination of Primary Amines","Organometallics","2008","27","13","3124","","10.1021/om800238j","","","0.71073","MoKα","","0.0343","0.0322","","","0.0777","0.0788","","","","","","1.018","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071578","19.0287","0.0005","19.0287","0.0005","16.3448","0.001","90","","90","","90","","5918.3","0.4","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C14 H17 I N2 Pt -","- C14 H17 I N2 Pt -","- C224 H272 I16 N32 Pt16 -","16","2","","Calmuschi-Cula, Beatrice; Englert, Ulli","Orthoplatination of Primary Amines","Organometallics","2008","27","13","3124","","10.1021/om800238j","","","0.71073","MoKα","","0.0506","0.0376","","","0.0756","0.0804","","","","","","1.072","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071579","18.99","0.003","18.99","0.003","17.965","0.006","90","","90","","90","","6479","3","100","2","100","2","","","","","","","","5","I 41","I 4bw","80","","","","- C15 H19 I N2 Pt -","- C15 H19 I N2 Pt -","- C240 H304 I16 N32 Pt16 -","16","2","","Calmuschi-Cula, Beatrice; Englert, Ulli","Orthoplatination of Primary Amines","Organometallics","2008","27","13","3124","","10.1021/om800238j","","","0.71073","MoKα","","0.1033","0.054","","","0.095","0.1101","","","","","","0.993","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071580","19.091","0.003","19.091","0.003","16.95","0.003","90","","90","","90","","6177.7","1.8","130","2","130","2","","","","","","","","6","I 41","I 4bw","80","","","","- C14 H16 F I N2 Pt -","- C14 H16 F I N2 Pt -","- C224 H256 F16 I16 N32 Pt16 -","16","2","","Calmuschi-Cula, Beatrice; Englert, Ulli","Orthoplatination of Primary Amines","Organometallics","2008","27","13","3124","","10.1021/om800238j","","","0.71073","MoKα","","0.0367","0.0311","","","0.0751","0.0782","","","","","","1.005","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071581","12.093","0.0012","13.7092","0.0012","23.173","0.002","90","","104.875","0.002","90","","3713","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H46 B2 N2 O2 Yb -","- C42 H46 B2 N2 O2 Yb -","- C168 H184 B8 N8 O8 Yb4 -","4","0.5","","Cui, Peng; Chen, Yaofeng; Wang, Guoping; Li, Guangyu; Xia, Wei","Divalent Ytterbium Boratabenzene Complex (C5H5BNPh2)2Yb(THF)2: Synthesis, Structure, and Solvent-Mediated Redox Transformation","Organometallics","2008","27","15","4013","","10.1021/om800245u","","","0.71073","MoKα","","0.0699","0.0663","","","0.1779","0.1808","","","","","","1.036","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071582","10.8679","0.0017","13.486","0.002","14.778","0.002","100.474","0.003","97.923","0.002","95.89","0.003","2091.3","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H46 B2 N4 Yb -","- C50 H46 B2 N4 Yb -","- C100 H92 B4 N8 Yb2 -","2","1","","Cui, Peng; Chen, Yaofeng; Wang, Guoping; Li, Guangyu; Xia, Wei","Divalent Ytterbium Boratabenzene Complex (C5H5BNPh2)2Yb(THF)2: Synthesis, Structure, and Solvent-Mediated Redox Transformation","Organometallics","2008","27","15","4013","","10.1021/om800245u","","","0.71073","MoKα","","0.0842","0.0596","","","0.1301","0.1381","","","","","","0.89","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071583","11.231","0.008","12.606","0.009","12.79","0.009","114.55","0.012","97.629","0.012","108.532","0.012","1486.2","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H34 Fe2 N2 O -","- C39 H34 Fe2 N2 O -","- C78 H68 Fe4 N4 O2 -","2","1","","Li, Jie; Ma, Jian-Ping; Liu, Fengling; Wu, Xiang-Wen; Dong, Yu-Bin; Huang, Ru-Qi","A New Approach for Ferrocenyl-Cyclopentenone and Ferrocenyl-Cyclopentenedione Compound Synthesis","Organometallics","2008","27","21","5446","","10.1021/om800246s","","","0.71073","MoKα","","0.1969","0.0833","","","0.1408","0.1753","","","","","","0.837","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071584","16.871","0.002","9.3341","0.0012","37.956","0.005","90","","90","","90","","5977.1","1.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C39 H34 Fe2 N2 O2 -","- C39 H34 Fe2 N2 O2 -","- C312 H272 Fe16 N16 O16 -","8","1","","Li, Jie; Ma, Jian-Ping; Liu, Fengling; Wu, Xiang-Wen; Dong, Yu-Bin; Huang, Ru-Qi","A New Approach for Ferrocenyl-Cyclopentenone and Ferrocenyl-Cyclopentenedione Compound Synthesis","Organometallics","2008","27","21","5446","","10.1021/om800246s","","","0.71073","MoKα","","0.0759","0.0575","","","0.1361","0.145","","","","","","1.061","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071585","10.14","0.002","15.103","0.004","15.293","0.004","117.633","0.004","91.536","0.005","108.432","0.004","1926.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H44 Fe2 O2 -","- C51 H44 Fe2 O2 -","- C102 H88 Fe4 O4 -","2","1","","Li, Jie; Ma, Jian-Ping; Liu, Fengling; Wu, Xiang-Wen; Dong, Yu-Bin; Huang, Ru-Qi","A New Approach for Ferrocenyl-Cyclopentenone and Ferrocenyl-Cyclopentenedione Compound Synthesis","Organometallics","2008","27","21","5446","","10.1021/om800246s","","","0.71073","MoKα","","0.1621","0.0691","","","0.1116","0.135","","","","","","0.844","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071586","10.438","0.004","14.746","0.005","14.994","0.005","83.396","0.005","71.005","0.005","73.007","0.005","2086.4","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C H Cl0.96 Fe N O -","- C4 H3.30769 Cl0.153846 Fe0.153846 N0.153846 O0.115385 -","- C104 H86 Cl4 Fe4 N4 O3 -","26","13","","Li, Jie; Ma, Jian-Ping; Liu, Fengling; Wu, Xiang-Wen; Dong, Yu-Bin; Huang, Ru-Qi","A New Approach for Ferrocenyl-Cyclopentenone and Ferrocenyl-Cyclopentenedione Compound Synthesis","Organometallics","2008","27","21","5446","","10.1021/om800246s","","","0.71073","MoKα","","0.0984","0.074","","","0.2047","0.2215","","","","","","0.985","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071587","28.871","0.007","7.5729","0.0017","10.514","0.002","90","","90","","90","","2298.8","0.9","298","2","298","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C53 H46 Cl4 Fe2 N2 O2 -","- C53 H46 Cl4 Fe2 N2 O2 -","- C106 H92 Cl8 Fe4 N4 O4 -","2","0.5","","Li, Jie; Ma, Jian-Ping; Liu, Fengling; Wu, Xiang-Wen; Dong, Yu-Bin; Huang, Ru-Qi","A New Approach for Ferrocenyl-Cyclopentenone and Ferrocenyl-Cyclopentenedione Compound Synthesis","Organometallics","2008","27","21","5446","","10.1021/om800246s","","","0.71073","MoKα","","0.1308","0.0886","","","0.2112","0.2314","","","","","","1.03","","","","has coordinates,has disorder","287926","2023-12-01","07:54:24",""
"4071588","12.865","0.002","14.584","0.003","14.693","0.003","78.951","0.003","72.719","0.003","87.21","0.003","2583.4","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H54 Cl2 Fe3 N2 O -","- C63 H54 Cl2 Fe3 N2 O -","- C126 H108 Cl4 Fe6 N4 O2 -","2","1","","Li, Jie; Ma, Jian-Ping; Liu, Fengling; Wu, Xiang-Wen; Dong, Yu-Bin; Huang, Ru-Qi","A New Approach for Ferrocenyl-Cyclopentenone and Ferrocenyl-Cyclopentenedione Compound Synthesis","Organometallics","2008","27","21","5446","","10.1021/om800246s","","","0.71073","MoKα","","0.1588","0.0935","","","0.2302","0.2637","","","","","","1.017","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071589","13.225","0.019","10.845","0.015","26.35","0.04","90","","97.86","0.03","90","","3744","9","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35.5 H53 B Cl2 N3 O4 Zr -","- C35.5 H46 B Cl2 N3 O4 Zr -","- C142 H184 B4 Cl8 N12 O16 Zr4 -","4","1","","Dunne, James F.; Su, Jiachun; Ellern, Arkady; Sadow, Aaron D.","A New Scorpionate Ligand: Tris(4,4-dimethyl-2-oxazolinyl)borate and Its Zirconium(IV) Complexes","Organometallics","2008","27","11","2399","","10.1021/om800252p","","","0.71073","MoKα","","0.0617","0.0412","","","0.1226","0.1478","","","","","","1.083","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071590","17.756","0.002","14.0182","0.0017","19.789","0.002","90","","108.613","0.002","90","","4668","0.9","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H29.5 B N3 O3.25 -","- C21 H29 B N3 O3.25 -","- C168 H232 B8 N24 O26 -","8","2","","Dunne, James F.; Su, Jiachun; Ellern, Arkady; Sadow, Aaron D.","A New Scorpionate Ligand: Tris(4,4-dimethyl-2-oxazolinyl)borate and Its Zirconium(IV) Complexes","Organometallics","2008","27","11","2399","","10.1021/om800252p","","","0.71073","MoKα","","0.1303","0.0808","","","0.2211","0.2618","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071591","8.835","0.0001","18.386","0.0002","24.034","0.0002","90","","94.517","0.001","90","","3891.96","0.07","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C49 H41 N P2 Ru -","- C49 H41 N P2 Ru -","- C196 H164 N4 P8 Ru4 -","4","1","","Chou, Hsien-Hsin; Lin, Ying-Chih; Huang, Shou-Ling; Liu, Yi-Hong; Wang, Yu","Reactions of Ruthenium Acetylide and Vinylidene Complexes Containing a 2-Pyridyl Group","Organometallics","2008","27","20","5212","","10.1021/om800253e","","","0.71073","MoKα","","0.0619","0.0387","","0.114","0.0951","","","","1.124","1.079","1.079","","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071592","11.483","0.0003","11.914","0.0003","20.403","0.0004","95.104","0.001","103.517","0.001","112.414","0.001","2459.22","0.1","295","2","295","2","","","","","","","","8","P -1","-P 1","2","","","","- C53 H50 Br Cl2 N O3 P2 Ru -","- C53 H50 Br Cl2 N O3 P2 Ru -","- C106 H100 Br2 Cl4 N2 O6 P4 Ru2 -","2","1","","Chou, Hsien-Hsin; Lin, Ying-Chih; Huang, Shou-Ling; Liu, Yi-Hong; Wang, Yu","Reactions of Ruthenium Acetylide and Vinylidene Complexes Containing a 2-Pyridyl Group","Organometallics","2008","27","20","5212","","10.1021/om800253e","","","0.71073","MoKα","","0.0899","0.0512","","0.1575","0.1182","","","","1.094","1.056","1.056","","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071593","10.3401","0.0001","18.5289","0.0002","25.4882","0.0002","90","","92.318","0.001","90","","4879.31","0.08","295","2","295","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C52 H51 B2 F6 N O2 P2 Ru -","- C52 H51 B2 F6 N O2 P2 Ru -","- C208 H204 B8 F24 N4 O8 P8 Ru4 -","4","1","","Chou, Hsien-Hsin; Lin, Ying-Chih; Huang, Shou-Ling; Liu, Yi-Hong; Wang, Yu","Reactions of Ruthenium Acetylide and Vinylidene Complexes Containing a 2-Pyridyl Group","Organometallics","2008","27","20","5212","","10.1021/om800253e","","","0.71073","MoKα","","0.0753","0.0513","","","0.1335","0.156","","","","","","1.09","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071594","12.0479","0.0002","15.3359","0.0002","16.6007","0.0003","72.371","0.001","81.136","0.001","86.12","0.001","2887.56","0.08","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H57 F12 N O3 P4 Ru -","- C58 H57 F12 N O3 P4 Ru -","- C116 H114 F24 N2 O6 P8 Ru2 -","2","1","","Chou, Hsien-Hsin; Lin, Ying-Chih; Huang, Shou-Ling; Liu, Yi-Hong; Wang, Yu","Reactions of Ruthenium Acetylide and Vinylidene Complexes Containing a 2-Pyridyl Group","Organometallics","2008","27","20","5212","","10.1021/om800253e","","","0.71073","MoKα","","0.1124","0.0755","","","0.2058","0.2487","","","","","","0.955","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071595","9.7472","0.0003","12.0024","0.0003","11.4226","0.0003","90","","99.241","0.001","90","","1318.98","0.06","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/m 1","-P 2yb","11","","","","- C27 H28 Cl4 Ir P -","- C27 H28 Cl4 Ir P -","- C54 H56 Cl8 Ir2 P2 -","2","0.5","","Lebel, Hélène; Ladjel, Chehla","Iridium Complexes in Olefination Reactions","Organometallics","2008","27","11","2676","","10.1021/om800255c","","","1.54178","CuKα","","0.0339","0.0305","","","0.0755","0.0778","","","","","","1.011","","","","has coordinates,has disorder","178604","2020-10-21","18:00:00",""
"4071596","14.1238","0.0009","13.6555","0.0009","18.8057","0.0012","90","","97.296","0.001","90","","3597.6","0.4","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H56 Cl3 N4 P2 Rh -","- C29 H56 Cl3 N4 P2 Rh -","- C116 H224 Cl12 N16 P8 Rh4 -","4","1","","Grotjahn, Douglas B.; Zeng, Xi; Cooksy, Andrew L.; Kassel, W. Scott; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L.","Experimental and Computational Study of the Transformation of Terminal Alkynes to Vinylidene Ligands ontrans-(Chloro)bis(phosphine)Rh Fragments and Effects of Phosphine Substituents","Organometallics","2008","27","14","3626","","10.1021/om8002569","","","0.71073","MoKα","","0.0347","0.0324","","","0.0937","0.0962","","","","","","1.045","","","","has coordinates","178604","2020-10-21","18:00:00",""
"4071597","9.812","0.002","10.112","0.002","13.009","0.003","110.373","0.004","105.23","0.004","101.512","0.004","1105.4","0.4","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 B F5 O Si -","- C25 H20 B F5 O Si -","- C50 H40 B2 F10 O2 Si2 -","2","1","","Dorsey, Christopher L.; Gabbaï, François P.","R3C−H→ SiFR3Agostic Interaction","Organometallics","2008","27","13","3065","","10.1021/om8002619","","","0.71073","MoKα","","0.0629","0.05","","","0.1474","0.1576","","","","","","1.007","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071598","8.545","0.002","9.429","0.002","13.712","0.005","97.067","0.005","97.216","0.005","115.932","0.003","965.9","0.5","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 F O Si -","- C25 H21 F O Si -","- C50 H42 F2 O2 Si2 -","2","1","","Dorsey, Christopher L.; Gabbaï, François P.","R3C−H→ SiFR3Agostic Interaction","Organometallics","2008","27","13","3065","","10.1021/om8002619","","","0.71073","MoKα","","0.0739","0.0479","","","0.1161","0.1356","","","","","","1.007","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071599","12.498","0.001","13.157","0.001","16.541","0.001","86.688","0.001","86.511","0.001","78.482","0.001","2657.3","0.3","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C54 H52 Br2 Cl4 N2 Ni P4 -","- C54 H52 Br2 Cl4 N2 Ni P4 -","- C108 H104 Br4 Cl8 N4 Ni2 P8 -","2","1","","Buchard, Antoine; Komly, Bruno; Auffrant, Audrey; Le Goff, Xavier F.; Floch, Pascal Le","A Mixed Phosphine−Iminophosphorane Tetradentate Ligand: Synthesis, Coordination to Group 10 Metal Centers, and Use as Catalyst in Suzuki−Miyaura Coupling","Organometallics","2008","27","17","4380","","10.1021/om8002637","","","0.71069","MoKα","","0.0796","0.0546","","","0.1483","0.1604","","","","","","1.055","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071600","12.819","0.001","13.213","0.001","14.508","0.001","89.216","0.001","76.579","0.001","81.903","0.001","2365.9","0.3","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C52 H52 Cl2 N2 O2 P4 Pd -","- C52 H52 Cl2 N2 O2 P4 Pd -","- C104 H104 Cl4 N4 O4 P8 Pd2 -","2","1","","Buchard, Antoine; Komly, Bruno; Auffrant, Audrey; Le Goff, Xavier F.; Floch, Pascal Le","A Mixed Phosphine−Iminophosphorane Tetradentate Ligand: Synthesis, Coordination to Group 10 Metal Centers, and Use as Catalyst in Suzuki−Miyaura Coupling","Organometallics","2008","27","17","4380","","10.1021/om8002637","","","0.71069","MoKα","","0.0671","0.0429","","","0.1169","0.1239","","","","","","1.014","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071601","10.91","0.008","11.633","0.009","16.125","0.012","98.501","0.013","97.285","0.013","116.804","0.012","1763","2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H29 As2 B F9 N Pd -","- C34 H29 As2 B F9 N Pd -","- C68 H58 As4 B2 F18 N2 Pd2 -","2","1","","Casares, Juan A.; Espinet, Pablo; Salas, Gorka","Palladium Catalysts for Norbornene Polymerization. A Study by NMR and Calorimetric Methods","Organometallics","2008","27","15","3761","","10.1021/om800264a","","","0.71073","MoKα","","0.0891","0.0423","","","0.1075","0.1333","","","","","","1.009","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071602","14.085","0.003","13.568","0.003","25.932","0.006","90","","104.72","0.006","90","","4793.1","1.8","298","2","298","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H23 As2 B Cl4 F15 N Pd -","- C44 H23 As2 B Cl4 F15 N Pd -","- C176 H92 As8 B4 Cl16 F60 N4 Pd4 -","4","1","","Casares, Juan A.; Espinet, Pablo; Salas, Gorka","Palladium Catalysts for Norbornene Polymerization. A Study by NMR and Calorimetric Methods","Organometallics","2008","27","15","3761","","10.1021/om800264a","","","0.71073","MoKα","","0.0486","0.0305","","","0.0737","0.0825","","","","","","1.03","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071603","11.1983","0.0003","11.4259","0.0003","14.4511","0.0004","88.758","0.001","75.244","0.001","70.959","0.001","1686.39","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H52 N O2 Ta -","- C36 H52 N O2 Ta -","- C72 H104 N2 O4 Ta2 -","2","1","","Agapie, Theodor; Day, Michael W.; Bercaw, John E.","Synthesis and Reactivity of Tantalum Complexes Supported by Bidentate X2and Tridentate LX2Ligands with Two Phenolates Linked to Pyridine, Thiophene, Furan, and Benzene Connectors: Mechanistic Studies of the Formation of a Tantalum Benzylidene and Insertion Chemistry for Tantalum−Carbon Bonds","Organometallics","2008","27","23","6123","","10.1021/om8002653","","","0.71073","MoKα","","0.0594","0.0392","","","0.0703","0.0759","","","","","","1.206","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4071604","11.2683","0.0007","17.5151","0.0011","18.2677","0.0012","88.748","0.001","88.572","0.001","89.202","0.001","3603.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C76 H100 Cl4 O4 Ta2 -","- C76 H100 Cl4 O4 Ta2 -","- C152 H200 Cl8 O8 Ta4 -","2","1","","Agapie, Theodor; Day, Michael W.; Bercaw, John E.","Synthesis and Reactivity of Tantalum Complexes Supported by Bidentate X2and Tridentate LX2Ligands with Two Phenolates Linked to Pyridine, Thiophene, Furan, and Benzene Connectors: Mechanistic Studies of the Formation of a Tantalum Benzylidene and Insertion Chemistry for Tantalum−Carbon Bonds","Organometallics","2008","27","23","6123","","10.1021/om8002653","","","0.71073","MoKα","","0.098","0.0605","","","0.1014","0.1066","","","","","","1.622","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4071605","16.4299","0.0008","17.063","0.0009","18.7829","0.0009","74.6","0.002","89.357","0.002","73.67","0.002","4860.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H71 O3 Ta -","- C54 H71 O3 Ta -","- C216 H284 O12 Ta4 -","4","2","","Agapie, Theodor; Day, Michael W.; Bercaw, John E.","Synthesis and Reactivity of Tantalum Complexes Supported by Bidentate X2and Tridentate LX2Ligands with Two Phenolates Linked to Pyridine, Thiophene, Furan, and Benzene Connectors: Mechanistic Studies of the Formation of a Tantalum Benzylidene and Insertion Chemistry for Tantalum−Carbon Bonds","Organometallics","2008","27","23","6123","","10.1021/om8002653","","","0.71073","MoKα","","0.1011","0.0528","","","0.0956","0.1063","","","","","","0.979","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4071606","13.514","0.0009","13.666","0.0009","22.421","0.0011","90.904","0.003","76.472","0.003","61.528","0.003","3499.5","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C79 H79 Ge2 P3 Pt2 -","- C79 H79 Ge2 P3 Pt2 -","- C158 H158 Ge4 P6 Pt4 -","2","1","","Arii, Hidekazu; Nanjo, Masato; Mochida, Kunio","Characterization of Mononuclear and Dinuclear Germylplatinum Complexes and Ge−Ge Bond Formation at the Platinum Center","Organometallics","2008","27","16","4147","","10.1021/om800267k","","","0.71073","MoKα","","0.0761","0.055","","","0.1383","0.1531","","","","","","1.022","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071607","8.638","0.0006","13.93","0.001","14.177","0.0011","109.661","0.004","99.571","0.004","107.007","0.004","1468.3","0.2","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Ge P Pt -","- C27 H28 Ge P Pt -","- C54 H56 Ge2 P2 Pt2 -","2","1","","Arii, Hidekazu; Nanjo, Masato; Mochida, Kunio","Characterization of Mononuclear and Dinuclear Germylplatinum Complexes and Ge−Ge Bond Formation at the Platinum Center","Organometallics","2008","27","16","4147","","10.1021/om800267k","","","0.71073","MoKα","","0.0549","0.0509","","","0.1407","0.1452","","","","","","1.074","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071608","12.229","0.0013","13.241","0.0014","16.754","0.0012","81.668","0.006","73.344","0.006","65.413","0.005","2362.4","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H45 Ge2 P2 Pt -","- C54 H56 Ge2 P2 Pt -","- C108 H112 Ge4 P4 Pt2 -","2","1","","Arii, Hidekazu; Nanjo, Masato; Mochida, Kunio","Characterization of Mononuclear and Dinuclear Germylplatinum Complexes and Ge−Ge Bond Formation at the Platinum Center","Organometallics","2008","27","16","4147","","10.1021/om800267k","","","0.71073","MoKα","","0.0766","0.0591","","","0.1383","0.1505","","","","","","1.045","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071609","14.138","0.0005","16.3244","0.0006","13.8086","0.0005","90","","116.379","0.001","90","","2855.11","0.18","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 Ge N2 P -","- C29 H41 Ge N2 P -","- C116 H164 Ge4 N8 P4 -","4","1","","Yao, Shenglai; Brym, Markus; Merz, Klaus; Driess, Matthias","Facile Access to a Stable Divalent Germanium Compound with a Terminal PH2Group and Related PR2Derivatives","Organometallics","2008","27","14","3601","","10.1021/om800269f","","","0.71073","MoKα","","0.0588","0.0449","","","0.1155","0.13","","","","","","1.05","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071610","8.9098","0.0004","19.6084","0.0009","19.6505","0.001","90","","90.364","0.001","90","","3433","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H51 Ge N2 P Si -","- C32 H51 Ge N2 P Si -","- C128 H204 Ge4 N8 P4 Si4 -","4","1","","Yao, Shenglai; Brym, Markus; Merz, Klaus; Driess, Matthias","Facile Access to a Stable Divalent Germanium Compound with a Terminal PH2Group and Related PR2Derivatives","Organometallics","2008","27","14","3601","","10.1021/om800269f","","","0.71073","MoKα","","0.073","0.0519","","","0.1187","0.1321","","","","","","1.042","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071611","11.5933","0.0004","22.8578","0.0009","18.3221","0.0007","90","","93.233","0.001","90","","4847.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H79 Ge N2 P Si2 -","- C45 H79 Ge N2 P Si2 -","- C180 H316 Ge4 N8 P4 Si8 -","4","1","","Yao, Shenglai; Brym, Markus; Merz, Klaus; Driess, Matthias","Facile Access to a Stable Divalent Germanium Compound with a Terminal PH2Group and Related PR2Derivatives","Organometallics","2008","27","14","3601","","10.1021/om800269f","","","0.71073","MoKα","","0.0647","0.0463","","","0.113","0.1259","","","","","","1.133","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071612","10.8175","0.0006","12.0783","0.0007","12.6434","0.0007","91.55","0.002","108.361","0.002","111.339","0.002","1441.49","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C58 H84 Ge2 N4 P2 -","- C58 H84 Ge2 N4 P2 -","- C58 H84 Ge2 N4 P2 -","1","0.5","","Yao, Shenglai; Brym, Markus; Merz, Klaus; Driess, Matthias","Facile Access to a Stable Divalent Germanium Compound with a Terminal PH2Group and Related PR2Derivatives","Organometallics","2008","27","14","3601","","10.1021/om800269f","","","0.71073","MoKα","","0.1493","0.0721","","","0.1427","0.1739","","","","","","0.963","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071613","12.087","0.002","13.013","0.003","24.046","0.005","90","","92.11","0.03","90","","3779.6","1.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H41 F3 Ge N2 O3 S -","- C30 H41 F3 Ge N2 O3 S -","- C120 H164 F12 Ge4 N8 O12 S4 -","4","1","","Yao, Shenglai; Brym, Markus; Merz, Klaus; Driess, Matthias","Facile Access to a Stable Divalent Germanium Compound with a Terminal PH2Group and Related PR2Derivatives","Organometallics","2008","27","14","3601","","10.1021/om800269f","","","0.71073","MoKα","","0.1054","0.0591","","","0.1381","0.1561","","","","","","0.93","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071614","7.7026","0.0012","19.112","0.002","11.4095","0.0014","90","","104.382","0.002","90","","1627","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 F12 N8 P2 Pd2 -","- C22 H32 F12 N8 P2 Pd2 -","- C44 H64 F24 N16 P4 Pd4 -","2","0.5","","Ye, Jiansheng; Zhang, Xiaoming; Chen, Wanzhi; Shimada, Shigeru","Dinuclear Palladacyclic Complexes Derived from C−N Cleavage of an Imidazolium Salt: Synthesis, Structural Characterization, and Their Uses for C−C Coupling","Organometallics","2008","27","16","4166","","10.1021/om800272k","","","0.71073","MoKα","","0.0462","0.0329","","","0.0808","0.0921","","","","","","1.051","","","","has coordinates,has disorder","178605","2020-10-21","18:00:00",""
"4071615","23.109","0.004","9.8636","0.0018","22.869","0.004","90","","91.755","0.002","90","","5210.3","1.6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H70 Cl2 N12 O10 Pd2 -","- C38 H70 Cl2 N12 O10 Pd2 -","- C152 H280 Cl8 N48 O40 Pd8 -","4","0.5","","Ye, Jiansheng; Zhang, Xiaoming; Chen, Wanzhi; Shimada, Shigeru","Dinuclear Palladacyclic Complexes Derived from C−N Cleavage of an Imidazolium Salt: Synthesis, Structural Characterization, and Their Uses for C−C Coupling","Organometallics","2008","27","16","4166","","10.1021/om800272k","","","0.71073","MoKα","","0.0664","0.0474","","","0.1186","0.1371","","","","","","1.102","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071616","5.0761","0.0008","14.6843","0.0016","21.131","0.002","90","","98.605","0.003","90","","1557.4","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 Cl N4 O2 -","- C12 H19 Cl N4 O2 -","- C48 H76 Cl4 N16 O8 -","4","1","","Ye, Jiansheng; Zhang, Xiaoming; Chen, Wanzhi; Shimada, Shigeru","Dinuclear Palladacyclic Complexes Derived from C−N Cleavage of an Imidazolium Salt: Synthesis, Structural Characterization, and Their Uses for C−C Coupling","Organometallics","2008","27","16","4166","","10.1021/om800272k","","","0.71073","MoKα","","0.225","0.1267","","","0.2936","0.346","","","","","","0.942","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071617","21.623","0.003","6.6427","0.0015","15.8766","0.0019","90","","100.017","0.002","90","","2245.7","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H48 Ag4 Cl4 N12 -","- C36 H48 Ag4 Cl4 N12 -","- C72 H96 Ag8 Cl8 N24 -","2","0.5","","Ye, Jiansheng; Zhang, Xiaoming; Chen, Wanzhi; Shimada, Shigeru","Dinuclear Palladacyclic Complexes Derived from C−N Cleavage of an Imidazolium Salt: Synthesis, Structural Characterization, and Their Uses for C−C Coupling","Organometallics","2008","27","16","4166","","10.1021/om800272k","","","0.71073","MoKα","","0.2361","0.164","","","0.4135","0.4487","","","","","","1.248","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071618","9.4004","0.0005","13.1537","0.0009","10.8292","0.0008","90","","97.526","0.003","90","","1327.5","0.15","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","DFB_I_105","DFB_I_105","","- C30 H48 P2 -","- C30 H48 P2 -","- C60 H96 P4 -","2","0.5","","Brayton, Daniel F.; Heinekey, D. Michael","Synthesis and Structure of Molybdenum and Tungsten Bisphosphine Carbonyl Dimers","Organometallics","2008","27","15","3901","","10.1021/om800273t","","","0.71073","MoKα","","0.1496","0.0602","","","0.1185","0.1449","","","","","","0.934","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071619","10.2911","0.0005","8.0562","0.0005","23.5323","0.0014","90","","99.591","0.003","90","","1923.73","0.19","130","2","130","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","brayton1","brayton1","","- C18 H32 P2 -","- C18 H32 P2 -","- C72 H128 P8 -","4","1","","Brayton, Daniel F.; Heinekey, D. Michael","Synthesis and Structure of Molybdenum and Tungsten Bisphosphine Carbonyl Dimers","Organometallics","2008","27","15","3901","","10.1021/om800273t","","","0.71073","MoKα","","0.125","0.0589","","","0.1336","0.1619","","","","","","0.994","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071620","14.3209","0.0002","15.2303","0.0002","15.9883","0.0002","110.816","0.0006","108.949","0.0007","105.043","0.0007","2791.99","0.07","130","2","130","2","","","","","","","","5","P -1","-P 1","2","DFBI160","DFBI160","","- C51 H80 O8 P4 W2 -","- C51 H80 O8 P4 W2 -","- C102 H160 O16 P8 W4 -","2","1","","Brayton, Daniel F.; Heinekey, D. Michael","Synthesis and Structure of Molybdenum and Tungsten Bisphosphine Carbonyl Dimers","Organometallics","2008","27","15","3901","","10.1021/om800273t","","","0.7107","MoKα","","0.0584","0.0393","","","0.0918","0.0997","","","","","","1.042","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071621","19.6088","0.0004","14.9522","0.0003","23.7674","0.0005","90","","94.8711","0.0011","90","","6943.3","0.2","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","DFB_I_177","DFB_I_177","","- C69 H98 Cl2 Mo2 O8 P4 -","- C69 H98 Cl2 Mo2 O8 P4 -","- C276 H392 Cl8 Mo8 O32 P16 -","4","1","","Brayton, Daniel F.; Heinekey, D. Michael","Synthesis and Structure of Molybdenum and Tungsten Bisphosphine Carbonyl Dimers","Organometallics","2008","27","15","3901","","10.1021/om800273t","","","0.71073","MoKα","","0.0886","0.0619","","","0.1699","0.204","","","","","","0.971","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071622","12.2827","0.0009","17.2457","0.0013","10.7969","0.0008","90","","103.48","0.02","90","","2224","0.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N O P S -","- C26 H22 N O P S -","- C104 H88 N4 O4 P4 S4 -","4","1","","Kozlov, V. A.; Aleksanyan, D. V.; Nelyubina, Yu. V.; Lyssenko, K. A.; Gutsul, E. I.; Puntus, L. N.; Vasil’ev, A. A.; Petrovskii, P. V.; Odinets, I. L.","Cyclopalladated Complexes of 3-Thiophosphorylbenzoic Acid Thioamides: Hybrid Pincer Ligands of a New Type. Synthesis, Catalytic Activity, and Photophysical Properties","Organometallics","2008","27","16","4062","","10.1021/om8002762","","","0.71073","MoKα","","0.0898","0.0582","","","0.1124","0.122","","","","","","1.001","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071623","11.9887","0.0005","14.6611","0.0006","14.8385","0.0006","89.829","0.005","84.196","0.005","87.873","0.005","2592.97","0.19","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C51.5 H41 Cl5 N2 P2 Pd2 S4 -","- C51.5 H41 Cl5 N2 P2 Pd2 S4 -","- C103 H82 Cl10 N4 P4 Pd4 S8 -","2","1","","Kozlov, V. A.; Aleksanyan, D. V.; Nelyubina, Yu. V.; Lyssenko, K. A.; Gutsul, E. I.; Puntus, L. N.; Vasil’ev, A. A.; Petrovskii, P. V.; Odinets, I. L.","Cyclopalladated Complexes of 3-Thiophosphorylbenzoic Acid Thioamides: Hybrid Pincer Ligands of a New Type. Synthesis, Catalytic Activity, and Photophysical Properties","Organometallics","2008","27","16","4062","","10.1021/om8002762","","","0.71073","MoKα","","0.066","0.0384","","","0.0667","0.0807","","","","","","0.998","","","","has coordinates,has disorder","178605","2020-10-21","18:00:00",""
"4071624","13.0603","0.0006","13.7939","0.0007","13.2593","0.0007","90","","109.845","0.005","90","","2246.8","0.2","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 Cl N P Pd S2 -","- C25 H19 Cl N P Pd S2 -","- C100 H76 Cl4 N4 P4 Pd4 S8 -","4","1","","Kozlov, V. A.; Aleksanyan, D. V.; Nelyubina, Yu. V.; Lyssenko, K. A.; Gutsul, E. I.; Puntus, L. N.; Vasil’ev, A. A.; Petrovskii, P. V.; Odinets, I. L.","Cyclopalladated Complexes of 3-Thiophosphorylbenzoic Acid Thioamides: Hybrid Pincer Ligands of a New Type. Synthesis, Catalytic Activity, and Photophysical Properties","Organometallics","2008","27","16","4062","","10.1021/om8002762","","","0.71073","MoKα","","0.0422","0.0282","","","0.0689","0.076","","","","","","1.004","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071625","12.7414","0.0002","12.7768","0.0002","15.1936","0.0002","90","","90","","90","","2473.43","0.06","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C26 H21 Cl N P Pd S2 -","- C26 H21 Cl N P Pd S2 -","- C104 H84 Cl4 N4 P4 Pd4 S8 -","4","1","","Kozlov, V. A.; Aleksanyan, D. V.; Nelyubina, Yu. V.; Lyssenko, K. A.; Gutsul, E. I.; Puntus, L. N.; Vasil’ev, A. A.; Petrovskii, P. V.; Odinets, I. L.","Cyclopalladated Complexes of 3-Thiophosphorylbenzoic Acid Thioamides: Hybrid Pincer Ligands of a New Type. Synthesis, Catalytic Activity, and Photophysical Properties","Organometallics","2008","27","16","4062","","10.1021/om8002762","","","0.71073","MoKα","","0.0281","0.0219","","","0.0527","0.0611","","","","","","1.005","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071626","20.0776","0.0004","15.6656","0.0003","20.0619","0.0004","90","","100.029","0.0009","90","","6213.6","0.2","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","Sc([9]aneS3)(CH2SiMe3)3 . 0.5(toluene)","","- C21.5 H49 S3 Sc Si3 -","- C21.5 H49 S3 Sc Si3 -","- C172 H392 S24 Sc8 Si24 -","8","1","","Tredget, Cara S.; Clot, Eric; Mountford, Philip","Synthesis, DFT Studies, and Reactions of Scandium and Yttrium Dialkyl Cations Containing Neutralfac-N3andfac-S3Donor Ligands","Organometallics","2008","27","14","3458","","10.1021/om800279d","","","0.71073","MoKα","","0.0561","0.035","","0.0591","0.0436","0.0436","","","","","","1.0236","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071627","10.7691","0.0002","12.7989","0.0003","17.9114","0.0004","81.1573","0.0008","86.3644","0.0009","86.733","0.001","2431.73","0.09","150","","100","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled to 100K at a rate of 120 K hr-1 for single-crystal X-ray diffraction analysis.","","synthesis as described","8","P -1","-P 1","2","","[Sc([9]aneS3)(CH2SiMe3)2(THF)][BArF4]","","- C42 H42 B F20 O S3 Sc Si2 -","- C42 H42 B F20 O S3 Sc Si2 -","- C84 H84 B2 F40 O2 S6 Sc2 Si4 -","2","1","","Tredget, Cara S.; Clot, Eric; Mountford, Philip","Synthesis, DFT Studies, and Reactions of Scandium and Yttrium Dialkyl Cations Containing Neutralfac-N3andfac-S3Donor Ligands","Organometallics","2008","27","14","3458","","10.1021/om800279d","","","0.71073","MoKα","","0.0779","0.0514","","0.0752","0.0637","0.0637","","","","","","1.0843","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071628","10.099","0.008","10.099","0.008","25.157","0.019","90","","90","","90","","2566","3","100","2","100","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","1-toryl-2,3,4,5-tetraphenylborole","","","- C35 H27 B -","- C35 H27 B -","- C140 H108 B4 -","4","0.5","","So, Cheuk-Wai; Watanabe, Daisuke; Wakamiya, Atsushi; Yamaguchi, Shigehiro","Synthesis and Structural Characterization of Pentaarylboroles and Their Dianions","Organometallics","2008","27","14","3496","","10.1021/om8002812","","","0.7107","MoKα","","0.0863","0.0811","","","0.2055","0.2112","","","","","","1.163","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071629","18.9","0.005","15.875","0.004","19.674","0.005","90","","94.149","0.004","90","","5887","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1-(4-trimetylsilylphenyl)- 2,3,4,5-tetraphenylborole","","- C37 H30 B Si -","- C37 H30 B Si -","- C296 H240 B8 Si8 -","8","1","","So, Cheuk-Wai; Watanabe, Daisuke; Wakamiya, Atsushi; Yamaguchi, Shigehiro","Synthesis and Structural Characterization of Pentaarylboroles and Their Dianions","Organometallics","2008","27","14","3496","","10.1021/om8002812","","","0.7107","MoKα","","0.0806","0.0633","","","0.1568","0.1692","","","","","","1.107","","","","has coordinates,has disorder","178605","2020-10-21","18:00:00",""
"4071630","10.975","0.005","9.582","0.004","24.482","0.011","90","","97.028","0.007","90","","2555","2","100","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1-(4-fluorophenyl)-2,3,4,5- tetraphenylborole","","- C34 H24 B F -","- C34 H24 B F -","- C136 H96 B4 F4 -","4","1","","So, Cheuk-Wai; Watanabe, Daisuke; Wakamiya, Atsushi; Yamaguchi, Shigehiro","Synthesis and Structural Characterization of Pentaarylboroles and Their Dianions","Organometallics","2008","27","14","3496","","10.1021/om8002812","","","0.7107","MoKα","","0.0659","0.0499","","","0.1359","0.1498","","","","","","1.065","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071631","14.755","","14.738","","16.506","","80.9","","65.21","","63.44","","2912.83","","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","1-(trimethylsilylphenyl)-2,3,4,5-tetraphenyl borole dianion","","- C61 H81 B K2 N2 O4.5 Si -","- C61 H81 B K2 N2 O4.5 Si -","- C122 H162 B2 K4 N4 O9 Si2 -","2","1","","So, Cheuk-Wai; Watanabe, Daisuke; Wakamiya, Atsushi; Yamaguchi, Shigehiro","Synthesis and Structural Characterization of Pentaarylboroles and Their Dianions","Organometallics","2008","27","14","3496","","10.1021/om8002812","","","0.7107","MoKα","","0.0759","0.057","","","0.139","0.1519","","","","","","1.059","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071632","12.98","0.003","13.155","0.003","13.21","0.003","106.095","0.0016","112.617","0.0017","108.978","0.0016","1747.4","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,2,3,4,5-pentaphenylborole dianion","","- C42 H41 B K2 O2 -","- C42 H41 B K2 O2 -","- C84 H82 B2 K4 O4 -","2","1","","So, Cheuk-Wai; Watanabe, Daisuke; Wakamiya, Atsushi; Yamaguchi, Shigehiro","Synthesis and Structural Characterization of Pentaarylboroles and Their Dianions","Organometallics","2008","27","14","3496","","10.1021/om8002812","","","0.7107","MoKα","","0.0376","0.0309","","","0.0789","0.0822","","","","","","1.068","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071633","27.712","0.006","10.5495","0.0018","20.635","0.004","90","","90","","90","","6033","2","100","2","100","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C26 H37 N2 O10.5 S2 -","- C26 H37 N2 O10.5 S2 -","- C208 H296 N16 O84 S16 -","8","1","","Ananikov, Valentine P.; Orlov, Nikolay V.; Kabeshov, Mikhail A.; Beletskaya, Irina P.; Starikova, Zoya A.","Stereodefined Synthesis of a New Type of 1,3-Dienes by Ligand-Controlled Carbon−Carbon and Carbon−Heteroatom Bond Formation in Nickel-Catalyzed Reaction of Diaryldichalcogenides with Alkynes","Organometallics","2008","27","16","4056","","10.1021/om800282h","","","0.71073","MoKα","","0.132","0.0546","","","0.0851","0.1056","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071634","24.993","0.004","24.993","0.004","7.3862","0.0018","90","","90","","120","","3995.7","1.3","120","2","120","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C20 H22 O2 S2 -","- C20 H22 O2 S2 -","- C180 H198 O18 S18 -","9","0.5","","Ananikov, Valentine P.; Orlov, Nikolay V.; Kabeshov, Mikhail A.; Beletskaya, Irina P.; Starikova, Zoya A.","Stereodefined Synthesis of a New Type of 1,3-Dienes by Ligand-Controlled Carbon−Carbon and Carbon−Heteroatom Bond Formation in Nickel-Catalyzed Reaction of Diaryldichalcogenides with Alkynes","Organometallics","2008","27","16","4056","","10.1021/om800282h","","","0.71073","MoKα","","0.057","0.0457","","","0.1085","0.1147","","","","","","1.108","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071635","18.3002","0.0003","9.116","0.0003","14.8054","0.0006","90","","90","","90","","2469.91","0.14","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C34 H26 Ni3 -","- C34 H26 Ni3 -","- C136 H104 Ni12 -","4","1","","Buchalski, Piotr; Grabowska, Ilona; Karaskiewicz, Anna; Suwińska, Kinga; Jerzykiewicz, Lucjan","Novel 9-Nickelafluorenyl Sandwich Complexes of Nickel(II) and Cobalt(II)","Organometallics","2008","27","13","3316","","10.1021/om8002834","","","0.71073","MoKα","","0.0387","0.0313","","","0.0654","0.0679","","","","","","1.042","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071636","9.256","0.005","9.305","0.005","17.278","0.005","96.93","0.01","98.93","0.01","114.74","0.01","1306.3","1.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H30 Co Ni2 -","- C36 H30 Co Ni2 -","- C72 H60 Co2 Ni4 -","2","1","","Buchalski, Piotr; Grabowska, Ilona; Karaskiewicz, Anna; Suwińska, Kinga; Jerzykiewicz, Lucjan","Novel 9-Nickelafluorenyl Sandwich Complexes of Nickel(II) and Cobalt(II)","Organometallics","2008","27","13","3316","","10.1021/om8002834","","","0.71073","MoKα","","0.0717","0.0409","","","0.0844","0.0909","","","","","","1.018","","","","has coordinates","264764","2021-05-03","08:11:05",""
"4071637","12.033","0.007","15.396","0.01","28.972","0.017","90","","91.024","0.01","90","","5366","6","193.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H36 Cl N3 O1.5 Ru -","- C28 H36 Cl N3 O1.5 Ru -","- C224 H288 Cl8 N24 O12 Ru8 -","8","2","","Araki, Kenjirou; Kuwata, Shigeki; Ikariya, Takao","Isolation and Interconversion of ProticN-Heterocyclic Carbene and Imidazolyl Complexes: Application to Catalytic Dehydrative Condensation ofN-(2-Pyridyl)benzimidazole and Allyl Alcohol","Organometallics","2008","27","10","2176","","10.1021/om800285n","","","0.7107","MoKα","","","0.0565","","","","0.1445","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071638","16.616","0.01","11.807","0.007","15.049","0.01","90","","120.255","0.007","90","","2550","3","193.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 F3 N4 O5 Ru S -","- C23 H23 F3 N4 O5 Ru S -","- C92 H92 F12 N16 O20 Ru4 S4 -","4","1","","Araki, Kenjirou; Kuwata, Shigeki; Ikariya, Takao","Isolation and Interconversion of ProticN-Heterocyclic Carbene and Imidazolyl Complexes: Application to Catalytic Dehydrative Condensation ofN-(2-Pyridyl)benzimidazole and Allyl Alcohol","Organometallics","2008","27","10","2176","","10.1021/om800285n","","","0.7107","MoKα","","","0.0528","","","","0.146","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071639","9.7732","0.001","25.207","0.003","11.618","0.002","90","","94.443","0.008","90","","2853.5","0.7","193.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 F6 N4 O7 Ru S2 -","- C24 H24 F6 N4 O7 Ru S2 -","- C96 H96 F24 N16 O28 Ru4 S8 -","4","1","","Araki, Kenjirou; Kuwata, Shigeki; Ikariya, Takao","Isolation and Interconversion of ProticN-Heterocyclic Carbene and Imidazolyl Complexes: Application to Catalytic Dehydrative Condensation ofN-(2-Pyridyl)benzimidazole and Allyl Alcohol","Organometallics","2008","27","10","2176","","10.1021/om800285n","","","0.7107","MoKα","","","0.056","","","","0.161","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071640","11.117","0.006","10.159","0.005","19.476","0.01","90","","94.941","0.007","90","","2191","2","193.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 Cl N3 Ru -","- C25 H28 Cl N3 Ru -","- C100 H112 Cl4 N12 Ru4 -","4","1","","Araki, Kenjirou; Kuwata, Shigeki; Ikariya, Takao","Isolation and Interconversion of ProticN-Heterocyclic Carbene and Imidazolyl Complexes: Application to Catalytic Dehydrative Condensation ofN-(2-Pyridyl)benzimidazole and Allyl Alcohol","Organometallics","2008","27","10","2176","","10.1021/om800285n","","","0.7107","MoKα","","","0.0382","","","","0.1044","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071641","7.7568","0.0002","8.2139","0.0002","11.3653","0.0002","75.732","0.019","78.83","0.02","62.01","0.017","617.12","0.11","193.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H13 N3 -","- C15 H13 N3 -","- C30 H26 N6 -","2","1","","Araki, Kenjirou; Kuwata, Shigeki; Ikariya, Takao","Isolation and Interconversion of ProticN-Heterocyclic Carbene and Imidazolyl Complexes: Application to Catalytic Dehydrative Condensation ofN-(2-Pyridyl)benzimidazole and Allyl Alcohol","Organometallics","2008","27","10","2176","","10.1021/om800285n","","","0.7107","MoKα","","","0.0456","","","","0.1193","","","","","","1.003","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071642","11.1696","0.0007","12.1768","0.0007","14.8291","0.0009","70.257","0.001","76.117","0.001","70.514","0.001","1771.11","0.19","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 Fe O -","- C25 H18 Fe O -","- C100 H72 Fe4 O4 -","4","2","","Banide, Emilie V.; Ortin, Yannick; Chamiot, Bénédicte; Cassidy, Andrew; Niehaus, Jan; Moore, Angela; Seward, Corey M.; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, Structures, and Dimerizations of Ferrocenyl- and Fluorenylideneallenes: Push−Pull Multiple Bonds?","Organometallics","2008","27","16","4173","","10.1021/om800293m","","","0.71073","MoKα","","0.0399","0.036","","","0.0957","0.0988","","","","","","1.058","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071643","16.3657","0.0011","9.7933","0.0007","21.6578","0.0015","90","","99.704","0.001","90","","3421.5","0.4","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 Fe -","- C24 H18 Fe -","- C192 H144 Fe8 -","8","1","","Banide, Emilie V.; Ortin, Yannick; Chamiot, Bénédicte; Cassidy, Andrew; Niehaus, Jan; Moore, Angela; Seward, Corey M.; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, Structures, and Dimerizations of Ferrocenyl- and Fluorenylideneallenes: Push−Pull Multiple Bonds?","Organometallics","2008","27","16","4173","","10.1021/om800293m","","","0.71073","MoKα","","0.0415","0.0369","","","0.0851","0.0877","","","","","","1.093","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071644","16.0959","0.001","7.1079","0.0004","14.343","0.0009","90","","109.097","0.001","90","","1550.65","0.16","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H9 B F4 N4 O4 -","- C14 H9 B F4 N4 O4 -","- C56 H36 B4 F16 N16 O16 -","4","1","","Banide, Emilie V.; Ortin, Yannick; Chamiot, Bénédicte; Cassidy, Andrew; Niehaus, Jan; Moore, Angela; Seward, Corey M.; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, Structures, and Dimerizations of Ferrocenyl- and Fluorenylideneallenes: Push−Pull Multiple Bonds?","Organometallics","2008","27","16","4173","","10.1021/om800293m","","","0.71073","MoKα","","0.0338","0.0313","","","0.0791","0.0808","","","","","","1.052","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071645","8.8665","0.0008","16.4","0.0014","10.046","0.0009","90","","103.966","0.001","90","","1417.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 O -","- C21 H14 O -","- C84 H56 O4 -","4","1","","Banide, Emilie V.; Ortin, Yannick; Chamiot, Bénédicte; Cassidy, Andrew; Niehaus, Jan; Moore, Angela; Seward, Corey M.; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, Structures, and Dimerizations of Ferrocenyl- and Fluorenylideneallenes: Push−Pull Multiple Bonds?","Organometallics","2008","27","16","4173","","10.1021/om800293m","","","0.71073","MoKα","","0.0401","0.0356","","","0.0862","0.0893","","","","","","1.053","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071646","22.353","0.003","4.2632","0.0006","16.519","0.002","90","","94.393","0.002","90","","1569.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 O2 -","- C22 H16 O2 -","- C88 H64 O8 -","4","1","","Banide, Emilie V.; Ortin, Yannick; Chamiot, Bénédicte; Cassidy, Andrew; Niehaus, Jan; Moore, Angela; Seward, Corey M.; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, Structures, and Dimerizations of Ferrocenyl- and Fluorenylideneallenes: Push−Pull Multiple Bonds?","Organometallics","2008","27","16","4173","","10.1021/om800293m","","","0.71073","MoKα","","0.0395","0.0316","","","0.08","0.0849","","","","","","1.034","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071647","9.5739","0.0013","10.447","0.0014","10.6029","0.0014","102.072","0.002","115.407","0.002","96.572","0.002","911.4","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 Fe O -","- C25 H18 Fe O -","- C50 H36 Fe2 O2 -","2","1","","Banide, Emilie V.; Ortin, Yannick; Chamiot, Bénédicte; Cassidy, Andrew; Niehaus, Jan; Moore, Angela; Seward, Corey M.; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, Structures, and Dimerizations of Ferrocenyl- and Fluorenylideneallenes: Push−Pull Multiple Bonds?","Organometallics","2008","27","16","4173","","10.1021/om800293m","","","0.71073","MoKα","","0.0462","0.0407","","","0.0996","0.1033","","","","","","1.081","","","","has coordinates,has disorder","178605","2020-10-21","18:00:00",""
"4071648","10.105","0.002","12.419","0.003","20.819","0.004","90","","103.92","0.004","90","","2535.9","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Fe O -","- C17 H14 Fe O -","- C136 H112 Fe8 O8 -","8","2","","Banide, Emilie V.; Ortin, Yannick; Chamiot, Bénédicte; Cassidy, Andrew; Niehaus, Jan; Moore, Angela; Seward, Corey M.; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, Structures, and Dimerizations of Ferrocenyl- and Fluorenylideneallenes: Push−Pull Multiple Bonds?","Organometallics","2008","27","16","4173","","10.1021/om800293m","","","0.71073","MoKα","","0.0585","0.0496","","","0.1373","0.1445","","","","","","1.08","","","","has coordinates,has disorder","178605","2020-10-21","18:00:00",""
"4071649","10.7366","0.0013","11.7389","0.0015","14.6319","0.0018","100.457","0.002","95.144","0.002","105.829","0.002","1725.8","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H34 Fe2 -","- C50 H34 Fe2 -","- C100 H68 Fe4 -","2","1","","Banide, Emilie V.; Ortin, Yannick; Chamiot, Bénédicte; Cassidy, Andrew; Niehaus, Jan; Moore, Angela; Seward, Corey M.; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, Structures, and Dimerizations of Ferrocenyl- and Fluorenylideneallenes: Push−Pull Multiple Bonds?","Organometallics","2008","27","16","4173","","10.1021/om800293m","","","0.71073","MoKα","","0.07","0.0565","","","0.1259","0.1312","","","","","","1.198","","","","has coordinates,has disorder","178605","2020-10-21","18:00:00",""
"4071650","6.311","0.007","19.272","0.019","20.099","0.016","90","","98.35","0.04","90","","2419","4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Fe2 -","- C34 H26 Fe2 -","- C136 H104 Fe8 -","4","1","","Banide, Emilie V.; Ortin, Yannick; Chamiot, Bénédicte; Cassidy, Andrew; Niehaus, Jan; Moore, Angela; Seward, Corey M.; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, Structures, and Dimerizations of Ferrocenyl- and Fluorenylideneallenes: Push−Pull Multiple Bonds?","Organometallics","2008","27","16","4173","","10.1021/om800293m","","","0.71073","MoKα","","0.0852","0.0674","","","0.1559","0.166","","","","","","1.054","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071651","8.5593","0.0018","12.884","0.003","17.537","0.004","74.723","0.006","79.113","0.006","84.303","0.006","1829.5","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H34 Cl2 Fe2 -","- C50 H34 Cl2 Fe2 -","- C100 H68 Cl4 Fe4 -","2","1","","Banide, Emilie V.; Ortin, Yannick; Chamiot, Bénédicte; Cassidy, Andrew; Niehaus, Jan; Moore, Angela; Seward, Corey M.; Müller-Bunz, Helge; McGlinchey, Michael J.","Syntheses, Structures, and Dimerizations of Ferrocenyl- and Fluorenylideneallenes: Push−Pull Multiple Bonds?","Organometallics","2008","27","16","4173","","10.1021/om800293m","","","0.71073","MoKα","","0.0648","0.0382","","","0.0794","0.0883","","","","","","0.962","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071652","12.274","0.003","12.697","0.003","13.241","0.004","85.74","0.05","81.89","0.03","83.86","0.05","2027.5","1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H61 Cl2 N O P2 Ru -","- C40 H61 Cl2 N O P2 Ru -","- C80 H122 Cl4 N2 O2 P4 Ru2 -","2","1","","Zhang, Jing; Gandelman, Mark; Shimon, Linda J. W.; Milstein, David","Stable Carbene and Diazoalkane Complexes of the Same Complex System. Synthesis, Structure, and Reactivity of PNP−Ru(II) Fluorenylidene and Diazofluorene Complexes","Organometallics","2008","27","14","3526","","10.1021/om800294v","","","0.71073","MoKα","","0.0979","0.0761","","","0.1476","0.1554","","","","","","1.096","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071653","16.659","0.001","15.011","0.001","16.473","0.0009","90","","109.116","0.004","90","","3892.2","0.4","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C37 H53 B Cl3 F4 N P2 Ru -","- C37 H53 B Cl3 F4 N P2 Ru -","- C148 H212 B4 Cl12 F16 N4 P8 Ru4 -","4","1","","Zhang, Jing; Gandelman, Mark; Shimon, Linda J. W.; Milstein, David","Stable Carbene and Diazoalkane Complexes of the Same Complex System. Synthesis, Structure, and Reactivity of PNP−Ru(II) Fluorenylidene and Diazofluorene Complexes","Organometallics","2008","27","14","3526","","10.1021/om800294v","","","0.7107","MoKα","","0.0622","0.0469","","","0.0855","0.0915","","","","","","1.054","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071654","18.0783","0.0003","14.7973","0.0003","27.1111","0.0006","90","","90","","90","","7252.5","0.2","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H51 Cl2 N3 P2 Ru -","- C36 H51 Cl2 N3 P2 Ru -","- C288 H408 Cl16 N24 P16 Ru8 -","8","1","","Zhang, Jing; Gandelman, Mark; Shimon, Linda J. W.; Milstein, David","Stable Carbene and Diazoalkane Complexes of the Same Complex System. Synthesis, Structure, and Reactivity of PNP−Ru(II) Fluorenylidene and Diazofluorene Complexes","Organometallics","2008","27","14","3526","","10.1021/om800294v","","","0.71073","MoKα","","0.0786","0.0462","","","0.1102","0.1227","","","","","","1.049","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071655","14.88","0.003","12.005","0.002","16.352","0.003","90","","104.79","0.03","90","","2824.3","1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H43 I2 N P2 Ru -","- C23 H43 I2 N P2 Ru -","- C92 H172 I8 N4 P8 Ru4 -","4","1","","Zhang, Jing; Gandelman, Mark; Shimon, Linda J. W.; Milstein, David","Stable Carbene and Diazoalkane Complexes of the Same Complex System. Synthesis, Structure, and Reactivity of PNP−Ru(II) Fluorenylidene and Diazofluorene Complexes","Organometallics","2008","27","14","3526","","10.1021/om800294v","","","0.71073","MoKα","","0.0519","0.0382","","","0.066","0.0693","","","","","","1.053","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071656","34.707","0.007","14.668","0.003","17.259","0.004","90","","117.57","0.04","90","","7789","4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39.25 H51 N3 O0.5 P2 Ru -","- C39.25 H51 N3 O0.5 P2 Ru -","- C314 H408 N24 O4 P16 Ru8 -","8","1","","Zhang, Jing; Gandelman, Mark; Shimon, Linda J. W.; Milstein, David","Stable Carbene and Diazoalkane Complexes of the Same Complex System. Synthesis, Structure, and Reactivity of PNP−Ru(II) Fluorenylidene and Diazofluorene Complexes","Organometallics","2008","27","14","3526","","10.1021/om800294v","","","0.71073","MoKα","","0.0692","0.0537","","","0.1592","0.1707","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071657","9.0768","0.0007","8.3752","0.0006","13.2634","0.0009","90","","95.86","0.001","90","","1003.01","0.13","233","2","233","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H25 F6 O2 P Ru -","- C17 H25 F6 O2 P Ru -","- C34 H50 F12 O4 P2 Ru2 -","2","1","","Gruber, Stefan; Zaitsev, Alexey B.; Wörle, Michael; Pregosin, Paul S.; Veiros, Luis F.","Facile Ruthenium(IV)-Catalyzed Single and Double Allylation of Indole Compounds using Alcohols as Substrates: Aspects of Ruthenium(IV) Allyl Chemistry","Organometallics","2008","27","15","3796","","10.1021/om800295z","","","0.71073","MoKα","","0.0558","0.035","","","0.069","0.0744","","","","","","1.018","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071658","8.2925","0.001","15.354","0.002","17.775","0.002","90","","94.66","0.01","90","","2255.7","0.5","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20.6 H25 Br F6 N P Ru -","- C20.59 H25 Br F6 N P Ru -","- C82.36 H100 Br4 F24 N4 P4 Ru4 -","4","1","","Gruber, Stefan; Zaitsev, Alexey B.; Wörle, Michael; Pregosin, Paul S.; Veiros, Luis F.","Facile Ruthenium(IV)-Catalyzed Single and Double Allylation of Indole Compounds using Alcohols as Substrates: Aspects of Ruthenium(IV) Allyl Chemistry","Organometallics","2008","27","15","3796","","10.1021/om800295z","","","0.71073","MoKα","","0.0753","0.0467","","","0.119","0.1346","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071659","10.5911","0.0012","11.79","0.0015","12.2848","0.0014","66.034","0.003","62.98","0.002","67.991","0.003","1214.2","0.3","296.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C8 H12 O2 -","- C8 H12 O2 -","- C48 H72 O12 -","6","3","","Yada, Yukito; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Ruthenium-Catalyzed Intramolecular Cyclization of 3-Butyne-1,2-diols into Furans","Organometallics","2008","27","14","3614","","10.1021/om800298r","","","0.71075","MoKα","","","0.0637","","","","0.1358","","","","","","1","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071660","11.894","0.0001","20.9365","0.0002","21.9023","0.0002","90","","102.24","0.001","90","","5330.1","0.09","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H66 Ca N2 O2 P2 Si4 -","- C48 H66 Ca N2 O2 P2 Si4 -","- C192 H264 Ca4 N8 O8 P8 Si16 -","4","1","","Barrett, Anthony G. M.; Crimmin, Mark R.; Hill, Michael S.; Kociok-Köhn, Gabriele; MacDougall, Dugald J.; Mahon, Mary F.; Procopiou, Panayiotis A.","Synthesis, Characterization, and Solution Lability of N-Heterocyclic Carbene Adducts of the Heavier Group 2 Bis(trimethylsilyl)amides","Organometallics","2008","27","15","3939","","10.1021/om800299j","","","0.71073","MoKα","","0.0514","0.0354","","","0.0811","0.089","","","","","","1.035","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071661","17.1111","0.0004","14.0257","0.0004","17.0902","0.0004","90","","97.043","0.001","90","","4070.62","0.18","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H60 Ca N4 Si4 -","- C33 H60 Ca N4 Si4 -","- C132 H240 Ca4 N16 Si16 -","4","0.5","","Barrett, Anthony G. M.; Crimmin, Mark R.; Hill, Michael S.; Kociok-Köhn, Gabriele; MacDougall, Dugald J.; Mahon, Mary F.; Procopiou, Panayiotis A.","Synthesis, Characterization, and Solution Lability of N-Heterocyclic Carbene Adducts of the Heavier Group 2 Bis(trimethylsilyl)amides","Organometallics","2008","27","15","3939","","10.1021/om800299j","","","0.71073","MoKα","","0.0558","0.0393","","","0.0948","0.1035","","","","","","1.044","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071662","11.5618","0.0002","12.276","0.0002","18.7309","0.0003","104.199","0.001","90.16","0.001","103.675","0.001","2499.03","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C85 H152 Ca2 N8 Si8 -","- C85 H152 Ca2 N8 Si8 -","- C85 H152 Ca2 N8 Si8 -","1","0.5","","Barrett, Anthony G. M.; Crimmin, Mark R.; Hill, Michael S.; Kociok-Köhn, Gabriele; MacDougall, Dugald J.; Mahon, Mary F.; Procopiou, Panayiotis A.","Synthesis, Characterization, and Solution Lability of N-Heterocyclic Carbene Adducts of the Heavier Group 2 Bis(trimethylsilyl)amides","Organometallics","2008","27","15","3939","","10.1021/om800299j","","","0.71073","MoKα","","0.0741","0.0422","","","0.1036","0.1172","","","","","","1.026","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071663","11.6902","0.0002","11.6877","0.0002","15.7698","0.0003","91.931","0.001","91.114","0.001","96.964","0.001","2136.94","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H60 Ba N4 Si4 -","- C33 H60 Ba N4 Si4 -","- C66 H120 Ba2 N8 Si8 -","2","1","","Barrett, Anthony G. M.; Crimmin, Mark R.; Hill, Michael S.; Kociok-Köhn, Gabriele; MacDougall, Dugald J.; Mahon, Mary F.; Procopiou, Panayiotis A.","Synthesis, Characterization, and Solution Lability of N-Heterocyclic Carbene Adducts of the Heavier Group 2 Bis(trimethylsilyl)amides","Organometallics","2008","27","15","3939","","10.1021/om800299j","","","0.71073","MoKα","","0.0736","0.048","","","0.1177","0.1327","","","","","","1.034","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071664","17.329","0.0003","14.036","0.0002","17.148","0.0003","90","","97.187","0.0007","90","","4138.14","0.12","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H60 N4 Si4 Sr -","- C33 H60 N4 Si4 Sr -","- C132 H240 N16 Si16 Sr4 -","4","0.5","","Barrett, Anthony G. M.; Crimmin, Mark R.; Hill, Michael S.; Kociok-Köhn, Gabriele; MacDougall, Dugald J.; Mahon, Mary F.; Procopiou, Panayiotis A.","Synthesis, Characterization, and Solution Lability of N-Heterocyclic Carbene Adducts of the Heavier Group 2 Bis(trimethylsilyl)amides","Organometallics","2008","27","15","3939","","10.1021/om800299j","","","0.71073","MoKα","","0.043","0.0344","","","0.0836","0.0885","","","","","","1.051","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071665","12.837","0.007","8.514","0.005","17.74","0.01","90","","96.954","0.011","90","","1924.6","1.9","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H38 Ni P2 -","- C16 H38 Ni P2 -","- C64 H152 Ni4 P8 -","4","0.5","","Dubinina, Galyna G.; Brennessel, William W.; Miller, Jennifer L.; Vicic, David A.","Exploring Trifluoromethylation Reactions at Nickel: A Structural and Reactivity Study","Organometallics","2008","27","15","3933","","10.1021/om800300k","","","0.71075","MoKα","","0.0704","0.0448","","","0.0807","0.0875","","","","","","1.084","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071666","9.7031","0.0019","10.366","0.002","15.583","0.003","83.09","0.03","72.17","0.03","72.66","0.03","1423.6","0.6","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H44 Hf Si -","- C31 H44 Hf Si -","- C62 H88 Hf2 Si2 -","2","1","","Beweries, Torsten; Burlakov, Vladimir V.; Peitz, Stephan; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe","Synthesis and Reactions of Cp*2Hf(η2-PhC2SiMe3) with Water and Carbon Dioxide†","Organometallics","2008","27","15","3954","","10.1021/om8003064","","","0.71073","MoKα","","0.0166","0.0144","","","0.0366","0.0371","","","","","","1.048","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071667","15.9367","0.0011","11.7378","0.0005","16.5513","0.0009","90","","114.011","0.005","90","","2828.2","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H46 Hf O Si -","- C31 H46 Hf O Si -","- C124 H184 Hf4 O4 Si4 -","4","1","","Beweries, Torsten; Burlakov, Vladimir V.; Peitz, Stephan; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe","Synthesis and Reactions of Cp*2Hf(η2-PhC2SiMe3) with Water and Carbon Dioxide†","Organometallics","2008","27","15","3954","","10.1021/om8003064","","","0.71073","MoKα","","0.0301","0.022","","","0.0482","0.0495","","","","","","1.015","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071668","9.1336","0.0004","10.3287","0.0004","16.5723","0.0007","93.569","0.003","104.347","0.003","107.04","0.003","1432.72","0.11","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H46 O Si Ti -","- C31 H46 O Si Ti -","- C62 H92 O2 Si2 Ti2 -","2","1","","Beweries, Torsten; Burlakov, Vladimir V.; Peitz, Stephan; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe","Synthesis and Reactions of Cp*2Hf(η2-PhC2SiMe3) with Water and Carbon Dioxide†","Organometallics","2008","27","15","3954","","10.1021/om8003064","","","0.71073","MoKα","","0.041","0.031","","","0.0841","0.0864","","","","","","0.958","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071669","10.2069","0.0005","17.1456","0.0004","17.6053","0.0006","90","","105.079","0.003","90","","2974.9","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 Hf O2 Si -","- C32 H44 Hf O2 Si -","- C128 H176 Hf4 O8 Si4 -","4","1","","Beweries, Torsten; Burlakov, Vladimir V.; Peitz, Stephan; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe","Synthesis and Reactions of Cp*2Hf(η2-PhC2SiMe3) with Water and Carbon Dioxide†","Organometallics","2008","27","15","3954","","10.1021/om8003064","","","0.71073","MoKα","","0.0259","0.0175","","","0.0375","0.0387","","","","","","0.919","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071670","12.4129","0.0007","7.3039","0.0005","17.1658","0.0011","90","","99.485","0.005","90","","1535.02","0.17","133","2","133","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","S=P(Pic)Ph2","Diphenyl-(2-picolyl)phosphane sulfide","","- C18 H16 N P S -","- C18 H16 N P S -","- C72 H64 N4 P4 S4 -","4","1","","Kling, Christian; Ott, Holger; Schwab, Gerald; Stalke, Dietmar","Heteroaromatic Substituted Phosphoranes with Enhanced Hemilabile Character","Organometallics","2008","27","19","5038","","10.1021/om800307d","","","0.71073","MoKα","","0.035","0.0268","","","0.0651","0.067","","","","","","1.049","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071671","12.6149","0.0007","7.2983","0.0004","17.4007","0.001","90","","100.102","0.001","90","","1577.2","0.15","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Se=P(Pic)Ph2","Diphenyl-(2-picolyl)phosphane selenide","","- C18 H16 N P Se -","- C18 H16 N P Se -","- C72 H64 N4 P4 Se4 -","4","1","","Kling, Christian; Ott, Holger; Schwab, Gerald; Stalke, Dietmar","Heteroaromatic Substituted Phosphoranes with Enhanced Hemilabile Character","Organometallics","2008","27","19","5038","","10.1021/om800307d","","","0.71073","MoKα","","0.0189","0.0179","","","0.0497","0.0502","","","","","","1.072","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071672","27.69","0.002","9.1573","0.0007","19.4842","0.0014","90","","96.946","0.001","90","","4904.3","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","[(thf)2Ca{Pic(Se)PPh2}2]","Bis[diphenyl-(2-picolyl)phosphan selenide]calcium","","- C52 H62 Ca N2 O4 P2 Se2 -","- C52.0056 H62.0112 Ca N2 O4 P2 Se2 -","- C208.022 H248.045 Ca4 N8 O16 P8 Se8 -","4","0.5","","Kling, Christian; Ott, Holger; Schwab, Gerald; Stalke, Dietmar","Heteroaromatic Substituted Phosphoranes with Enhanced Hemilabile Character","Organometallics","2008","27","19","5038","","10.1021/om800307d","","","0.71073","MoKα","","0.0338","0.028","","","0.0664","0.0686","","","","","","1.038","","","","has coordinates,has disorder","178605","2020-10-21","18:00:00",""
"4071673","27.28","0.004","14.993","0.001","19.193","0.003","90","","90","","90","","7850.1","1.8","153","2","153","2","","","","","","","synthesis as described","6","P c c n","-P 2ab 2ac","56","","","","- C68 H15 Mo N O3 S2 -","- C68 H15 Mo N O3 S2 -","- C544 H120 Mo8 N8 O24 S16 -","8","1","","Matsuo, Yutaka; Iwashita, Akihiko; Nakamura, Eiichi","Group 6 Metal Complexes of the η5-Pentamethyl[60]fullerene","Organometallics","2008","27","18","4611","","10.1021/om800308n","","x-ray","0.71073","MoKα","","0.1773","0.1567","","","0.4176","0.4396","","","","","","1.769","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071674","11.697","0.0017","19.067","0.0015","22.379","0.003","90","","96.709","0.006","90","","4956.9","1.1","153","2","153","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","MoC60Me5BrCO3","","- C82 H31 Br Mo O3 -","- C82 H31 Br Mo O3 -","- C328 H124 Br4 Mo4 O12 -","4","1","","Matsuo, Yutaka; Iwashita, Akihiko; Nakamura, Eiichi","Group 6 Metal Complexes of the η5-Pentamethyl[60]fullerene","Organometallics","2008","27","18","4611","","10.1021/om800308n","","x-ray","0.71073","MoKα","","0.1146","0.0691","","","0.1577","0.1828","","","","","","1.033","","","","has coordinates,has disorder","178605","2020-10-21","18:00:00",""
"4071675","37.595","0.003","9.918","0.0008","21.144","0.0014","90","","112.16","0.005","90","","7301.6","1","120","2","120","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","MoC60Me5O2Br","","- C65 H15 Br Mo O2 -","- C65 H15 Br Mo O2 -","- C520 H120 Br8 Mo8 O16 -","8","1","","Matsuo, Yutaka; Iwashita, Akihiko; Nakamura, Eiichi","Group 6 Metal Complexes of the η5-Pentamethyl[60]fullerene","Organometallics","2008","27","18","4611","","10.1021/om800308n","","x-ray","0.71073","MoKα","","0.0952","0.0686","","","0.1841","0.2075","","","","","","1.055","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071676","10.006","","11.455","","19.938","","80.38","","75.29","","66.89","","2027.14","","153","2","153","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C68.5 H20 Cr N O2 S3 -","- C68.5 H20 Cr N O2 S3 -","- C137 H40 Cr2 N2 O4 S6 -","2","1","","Matsuo, Yutaka; Iwashita, Akihiko; Nakamura, Eiichi","Group 6 Metal Complexes of the η5-Pentamethyl[60]fullerene","Organometallics","2008","27","18","4611","","10.1021/om800308n","","x-ray","0.71073","MoKα","","0.1048","0.0838","","","0.2253","0.2554","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071677","16.872","0.0019","12.726","0.0015","20.054","0.0011","90","","90.298","0.006","90","","4305.8","0.7","153","2","153","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","MoC60Me5ICO3","","- C69.5 H15 I Mo O3 S3 -","- C69.5 H15 I Mo O3 S3 -","- C278 H60 I4 Mo4 O12 S12 -","4","1","","Matsuo, Yutaka; Iwashita, Akihiko; Nakamura, Eiichi","Group 6 Metal Complexes of the η5-Pentamethyl[60]fullerene","Organometallics","2008","27","18","4611","","10.1021/om800308n","","x-ray","0.71073","MoKα","","0.1276","0.0933","","","0.2404","0.2798","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071678","9.996","0.003","19.995","0.007","18.673","0.007","90","","101","0.02","90","","3664","2","153","2","153","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","C60Me5H","","- C66 H16 S2 -","- C66 H16 S2 -","- C264 H64 S8 -","4","1","","Matsuo, Yutaka; Iwashita, Akihiko; Nakamura, Eiichi","Group 6 Metal Complexes of the η5-Pentamethyl[60]fullerene","Organometallics","2008","27","18","4611","","10.1021/om800308n","","x-ray","0.71073","MoKα","","0.1952","0.107","","","0.273","0.3661","","","","","","1.15","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071679","11.3945","0.0008","14.6164","0.001","17.6617","0.0011","108.559","0.001","99.294","0.002","110.135","0.002","2493.7","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C57 H54 Fe2 Ga O6 P3 -","- C57 H54 Fe2 Ga O6 P3 -","- C114 H108 Fe4 Ga2 O12 P6 -","2","1","","Muraoka, Takako; Motohashi, Hideaki; Hirotsu, Masakazu; Ueno, Keiji","Reactions of a Gallium-Bridged Diiron Complex with Alkyl Lithium, HCl, and Phosphines","Organometallics","2008","27","15","3918","","10.1021/om800310h","","","0.71073","MoKα","","0.0382","0.037","","","0.0908","0.0918","","","","","","1.136","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071680","25.3048","0.0011","21.5508","0.001","18.0423","0.0009","90","","92.599","0.002","90","","9829","0.8","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H64 Fe2 Ga O5 P3 -","- C50 H48 Fe2 Ga O5 P3 -","- C400 H384 Fe16 Ga8 O40 P24 -","8","1","","Muraoka, Takako; Motohashi, Hideaki; Hirotsu, Masakazu; Ueno, Keiji","Reactions of a Gallium-Bridged Diiron Complex with Alkyl Lithium, HCl, and Phosphines","Organometallics","2008","27","15","3918","","10.1021/om800310h","","","0.71073","MoKα","","0.071","0.0618","","","0.1729","0.2141","","","","","","1.213","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071681","14.418","0.0006","15.3044","0.0007","16.7139","0.0008","90","","109.206","0.002","90","","3482.8","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C44 H30 N8 Na2 -","- C44 H30 N8 Na2 -","- C176 H120 N32 Na8 -","4","1","","Jiang, Huiling; Song, Datong","Syntheses, Characterizations, and Reactivities of 4,5-Diazafluorenide Complexes of Palladium(II) and Rhodium(I)","Organometallics","2008","27","14","3587","","10.1021/om800312d","","","0.71073","MoKα","","0.1307","0.0518","","","0.1139","0.149","","","","","","0.986","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071682","9.9317","0.0006","11.7023","0.0006","13.2396","0.0008","79.655","0.003","87.484","0.003","65.604","0.003","1377.8","0.14","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H48 Cl6 N4 P2 Pd2 -","- C60 H48 Cl6 N4 P2 Pd2 -","- C60 H48 Cl6 N4 P2 Pd2 -","1","0.5","","Jiang, Huiling; Song, Datong","Syntheses, Characterizations, and Reactivities of 4,5-Diazafluorenide Complexes of Palladium(II) and Rhodium(I)","Organometallics","2008","27","14","3587","","10.1021/om800312d","","","0.71073","MoKα","","0.0813","0.0567","","","0.1311","0.1488","","","","","","1.011","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071683","10.0544","0.0004","11.1105","0.0005","12.8356","0.0003","90","","97.249","0.002","90","","1422.4","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N2 Rh -","- C19 H19 N2 Rh -","- C76 H76 N8 Rh4 -","4","1","","Jiang, Huiling; Song, Datong","Syntheses, Characterizations, and Reactivities of 4,5-Diazafluorenide Complexes of Palladium(II) and Rhodium(I)","Organometallics","2008","27","14","3587","","10.1021/om800312d","","","0.71073","MoKα","","0.0345","0.0272","","","0.0646","0.0686","","","","","","1.056","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071684","12.7389","0.0003","14.0067","0.0004","17.7003","0.0004","81.619","0.001","77.502","0.001","88.948","0.001","3050.21","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C66.5 H82 Cl2 Mo N O4 P -","- C66.5 H82 Cl2 Mo N O4 P -","- C133 H164 Cl4 Mo2 N2 O8 P2 -","2","1","","Schrock, Richard R.; Tonzetich, Zachary J.; Lichtscheidl, Alejandro G.; Müller, Peter; Schattenmann, Florian J.","Carboxylate-Based Molybdenum Alkylidene Catalysts: Synthesis, Characterization, and Use as Initiators for 1,6-Heptadiyne Cyclopolymerizations","Organometallics","2008","27","15","3986","","10.1021/om800314y","","","0.71073","MoKα","","0.0434","0.039","","","0.104","0.1074","","","","","","1.039","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071685","12.194","0.006","12.241","0.006","20.29","0.011","88.751","0.009","76.586","0.009","66.079","0.009","2684","2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H63 Mo N O4 -","- C64 H63 Mo N O4 -","- C128 H126 Mo2 N2 O8 -","2","1","","Schrock, Richard R.; Tonzetich, Zachary J.; Lichtscheidl, Alejandro G.; Müller, Peter; Schattenmann, Florian J.","Carboxylate-Based Molybdenum Alkylidene Catalysts: Synthesis, Characterization, and Use as Initiators for 1,6-Heptadiyne Cyclopolymerizations","Organometallics","2008","27","15","3986","","10.1021/om800314y","","","0.71073","MoKα","","0.0441","0.0342","","","0.0804","0.086","","","","","","1.027","","","","has coordinates,has disorder","178605","2020-10-21","18:00:00",""
"4071686","28.8668","0.0005","23.9088","0.0005","22.9488","0.0003","90","","90","","90","","15838.6","0.5","103","2","103","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","platinum diphosphene bis(triphenylphosphine)","","- C76 H105 Fe P4 Pt Si6 -","- C76 H105 Fe P4 Pt Si6 -","- C608 H840 Fe8 P32 Pt8 Si48 -","8","1","","Nagahora, Noriyoshi; Sasamori, Takahiro; Tokitoh, Norihiro","A Ferrocenyldiphosphene−Platinum Complex: Structural Features and Theoretical Calculations","Organometallics","2008","27","16","4265","","10.1021/om800315q","","","0.71069","MoKα","","0.0488","0.0236","","","0.057","0.0941","","","","","","1.023","","","","has coordinates,has disorder","178605","2020-10-21","18:00:00",""
"4071687","15.263","0.002","9.5695","0.0013","16.15","0.002","90","","113.963","0.004","90","","2155.5","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H29 N Ti -","- C26 H29 N Ti -","- C104 H116 N4 Ti4 -","4","1","","Wu, Chun Ji; Lee, Sang Hoon; Yu, Seung Tack; Na, Sung Jae; Yun, Hoseop; Lee, Bun Yeoul","CO2-Mediatedortho-Lithiation ofN-Alkylanilines and Its Use for the Construction of Polymerization Catalysts","Organometallics","2008","27","15","3907","","10.1021/om800317v","","","0.71073","MoKα","","0.0928","0.0714","","","0.1773","0.1991","","","","","","1.129","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071688","13.201","","14.92","","17.373","","90","","90","","90","","3421.77","","293","2","293","2","","","","","","","","5","P c a b","-P 2bc 2ac","61","","","","- C17 H21 Cl2 N Ti -","- C17 H21 Cl2 N Ti -","- C136 H168 Cl16 N8 Ti8 -","8","1","","Wu, Chun Ji; Lee, Sang Hoon; Yu, Seung Tack; Na, Sung Jae; Yun, Hoseop; Lee, Bun Yeoul","CO2-Mediatedortho-Lithiation ofN-Alkylanilines and Its Use for the Construction of Polymerization Catalysts","Organometallics","2008","27","15","3907","","10.1021/om800317v","","","0.71073","MoKα","","0.0249","0.023","","","0.0626","0.0638","","","","","","1.075","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071689","9.1152","0.0005","13.6101","0.0005","13.2743","0.0005","90","","102.881","0.0014","90","","1605.36","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl2 N Ti -","- C16 H19 Cl2 N Ti -","- C64 H76 Cl8 N4 Ti4 -","4","1","","Wu, Chun Ji; Lee, Sang Hoon; Yu, Seung Tack; Na, Sung Jae; Yun, Hoseop; Lee, Bun Yeoul","CO2-Mediatedortho-Lithiation ofN-Alkylanilines and Its Use for the Construction of Polymerization Catalysts","Organometallics","2008","27","15","3907","","10.1021/om800317v","","","0.71073","MoKα","","0.0798","0.0395","","","0.0668","0.0946","","","","","","1.143","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071690","27.093","","11.969","","24.561","","90","","101.1","","90","","7815.55","","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80 H68 B2 F30 N2 O3 Ti2 -","- C80 H68 B2 F30 N2 O3 Ti2 -","- C320 H272 B8 F120 N8 O12 Ti8 -","4","0.5","","Wu, Chun Ji; Lee, Sang Hoon; Yu, Seung Tack; Na, Sung Jae; Yun, Hoseop; Lee, Bun Yeoul","CO2-Mediatedortho-Lithiation ofN-Alkylanilines and Its Use for the Construction of Polymerization Catalysts","Organometallics","2008","27","15","3907","","10.1021/om800317v","","","0.71073","MoKα","","0.0597","0.0433","","","0.1266","0.139","","","","","","1.073","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071691","13.898","0.003","15.542","0.004","10.008","0.002","96.38","0.02","110.6","0.02","88.54","0.02","2010.8","0.8","200.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C50 H44 O P2 Ru -","- C50 H43.32 O P2 Ru -","- C100 H86.64 O2 P4 Ru2 -","2","1","","Hirano, Masafumi; Kuga, Toshinori; Kitamura, Mariko; Kanaya, Susumu; Komine, Nobuyuki; Komiya, Sanshiro","Acid-Promoted Hydrogen Migration in (2-Allylphenoxo)ruthenium(II) To Form an η3-Allyl Complex","Organometallics","2008","27","15","3635","","10.1021/om800318z","","","0.7107","MoKα","","","0.0483","","","","0.0599","","","","","","1.101","","","","has coordinates","275249","2022-05-09","01:57:10",""
"4071692","16.843","0.004","19.073","0.005","15.619","0.005","90","","90","","90","","5018","2","200.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H29 O P Ru -","- C32 H29 O P Ru -","- C256 H232 O8 P8 Ru8 -","8","1","","Hirano, Masafumi; Kuga, Toshinori; Kitamura, Mariko; Kanaya, Susumu; Komine, Nobuyuki; Komiya, Sanshiro","Acid-Promoted Hydrogen Migration in (2-Allylphenoxo)ruthenium(II) To Form an η3-Allyl Complex","Organometallics","2008","27","15","3635","","10.1021/om800318z","","","0.7107","MoKα","","","0.0305","","","","0.0485","","","","","","1.244","","","","has coordinates","288190","2023-12-08","16:15:29",""
"4071693","11.2939","0.0005","11.0589","0.0005","20.992","0.001","90","","104.995","0.001","90","","2532.6","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 B10 N P -","- C21 H34 B10 N P -","- C84 H136 B40 N4 P4 -","4","1","","Wang, Hong; Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of Group 4 Metal Complexes Bearing Pentavalent Phosphorus-Bridged Ligands [(C13H8)(iPr2N)P(−O)(C2B10H10)]2−and [(C13H9)(iPr2N)P(O)(C2B9H10)]2−","Organometallics","2008","27","15","3964","","10.1021/om800319w","","","0.71073","MoKα","","0.1037","0.0491","","","0.1176","0.1427","","","","","","1.01","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071694","11.29","0.001","10.9564","0.0009","21.1161","0.0018","90","","105.089","0.002","90","","2522","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H34 B10 N O P -","- C21 H34 B10 N O P -","- C84 H136 B40 N4 O4 P4 -","4","1","","Wang, Hong; Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of Group 4 Metal Complexes Bearing Pentavalent Phosphorus-Bridged Ligands [(C13H8)(iPr2N)P(−O)(C2B10H10)]2−and [(C13H9)(iPr2N)P(O)(C2B9H10)]2−","Organometallics","2008","27","15","3964","","10.1021/om800319w","","","0.71073","MoKα","","0.1805","0.1093","","","0.2435","0.3021","","","","","","1.136","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071695","9.0355","0.0006","26.3259","0.0017","17.607","0.0011","90","","95.732","0.002","90","","4167.2","0.5","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H60 B10 N3 O3 P Zr -","- C33 H60 B10 N3 O3 P Zr -","- C132 H240 B40 N12 O12 P4 Zr4 -","4","1","","Wang, Hong; Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of Group 4 Metal Complexes Bearing Pentavalent Phosphorus-Bridged Ligands [(C13H8)(iPr2N)P(−O)(C2B10H10)]2−and [(C13H9)(iPr2N)P(O)(C2B9H10)]2−","Organometallics","2008","27","15","3964","","10.1021/om800319w","","","0.71073","MoKα","","0.1899","0.0927","","","0.2313","0.3111","","","","","","1.017","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071696","10.59","0.003","11.642","0.003","13.723","0.004","87.653","0.004","70.193","0.003","83.505","0.003","1581.6","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H45 B9 N3 O P Zr -","- C25 H45 B9 N3 O P Zr -","- C50 H90 B18 N6 O2 P2 Zr2 -","2","1","","Wang, Hong; Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of Group 4 Metal Complexes Bearing Pentavalent Phosphorus-Bridged Ligands [(C13H8)(iPr2N)P(−O)(C2B10H10)]2−and [(C13H9)(iPr2N)P(O)(C2B9H10)]2−","Organometallics","2008","27","15","3964","","10.1021/om800319w","","","0.71073","MoKα","","0.0693","0.0491","","","0.1238","0.1387","","","","","","0.991","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071697","10.1719","0.0006","10.4903","0.0006","18.1888","0.001","104.137","0.001","91.393","0.001","111.625","0.001","1735.48","0.17","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H48 B9 N4 O P Ti -","- C27 H48 B9 N4 O P Ti -","- C54 H96 B18 N8 O2 P2 Ti2 -","2","1","","Wang, Hong; Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of Group 4 Metal Complexes Bearing Pentavalent Phosphorus-Bridged Ligands [(C13H8)(iPr2N)P(−O)(C2B10H10)]2−and [(C13H9)(iPr2N)P(O)(C2B9H10)]2−","Organometallics","2008","27","15","3964","","10.1021/om800319w","","","0.71073","MoKα","","0.0944","0.0625","","","0.1607","0.1784","","","","","","1.01","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071698","10.5092","0.0004","26.7479","0.0011","17.1051","0.0007","90","","100.61","0.001","90","","4726","0.3","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C43 H44 B9 D18 K N3 O P Ti -","- C43 H62 B9 K N3 O P Ti -","- C172 H248 B36 K4 N12 O4 P4 Ti4 -","4","1","","Wang, Hong; Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of Group 4 Metal Complexes Bearing Pentavalent Phosphorus-Bridged Ligands [(C13H8)(iPr2N)P(−O)(C2B10H10)]2−and [(C13H9)(iPr2N)P(O)(C2B9H10)]2−","Organometallics","2008","27","15","3964","","10.1021/om800319w","","","0.71073","MoKα","","0.0918","0.0617","","","0.1711","0.1936","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071699","8.669","0.002","11.457","0.003","12.083","0.003","110.14","0.03","91.04","0.03","105.57","0.03","1077.2","0.6","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H56 Br4 N8 O4 Pt2 -","- C32 H56 Br4 N8 O4 Pt2 -","- C32 H56 Br4 N8 O4 Pt2 -","1","0.5","","Kelly, Mairéad E.; Dietrich, Andrea; Gómez-Ruiz, Santiago; Kalinowski, Bernd; Kaluderović, Goran N.; Müller, Thomas; Paschke, Reinhard; Schmidt, Jürgen; Steinborn, Dirk; Wagner, Christoph; Schmidt, Harry","Platinum(IV) Metallacrown Ethers: Synthesis, Structures, Host Properties and Anticancer Evaluation","Organometallics","2008","27","19","4917","","10.1021/om800323z","","","0.71073","MoKα","","0.0541","0.0421","","","0.1048","0.1189","","","","","","1.047","","","","has coordinates","178605","2020-10-21","18:00:00",""
"4071700","10.438","0.003","10.449","0.002","11.27","0.003","103.18","0.03","93.43","0.03","94.59","0.03","1189.1","0.5","220","2","220","2","","","","","","","","7","P -1","-P 1","2","","","","- C15 H25 Br2 Cl3 N4 O2 Pt -","- C15 H25 Br2 Cl3 N4 O2 Pt -","- C30 H50 Br4 Cl6 N8 O4 Pt2 -","2","1","","Kelly, Mairéad E.; Dietrich, Andrea; Gómez-Ruiz, Santiago; Kalinowski, Bernd; Kaluderović, Goran N.; Müller, Thomas; Paschke, Reinhard; Schmidt, Jürgen; Steinborn, Dirk; Wagner, Christoph; Schmidt, Harry","Platinum(IV) Metallacrown Ethers: Synthesis, Structures, Host Properties and Anticancer Evaluation","Organometallics","2008","27","19","4917","","10.1021/om800323z","","","0.71073","MoKα","","0.0313","0.025","","","0.0657","0.0732","","","","","","1.043","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071701","11.9689","0.0002","25.0784","0.0004","8.1507","0.0001","90","","105.143","0.002","90","","2361.57","0.07","130","2","130","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Br2 N4 O4 Pt -","- C18 H32 Br2 N4 O4 Pt -","- C72 H128 Br8 N16 O16 Pt4 -","4","1","","Kelly, Mairéad E.; Dietrich, Andrea; Gómez-Ruiz, Santiago; Kalinowski, Bernd; Kaluderović, Goran N.; Müller, Thomas; Paschke, Reinhard; Schmidt, Jürgen; Steinborn, Dirk; Wagner, Christoph; Schmidt, Harry","Platinum(IV) Metallacrown Ethers: Synthesis, Structures, Host Properties and Anticancer Evaluation","Organometallics","2008","27","19","4917","","10.1021/om800323z","","","0.71073","MoKα","","0.0619","0.0276","","","0.0385","0.0469","","","","","","0.928","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071702","13.2372","0.0004","14.0095","0.0002","14.3908","0.0004","66.918","0.002","65.29","0.003","87.68","0.002","2205.83","0.12","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H44 Br4 Cl4 N8 Pt2 -","- C38 H44 Br4 Cl3.97 N8 Pt2 -","- C76 H88 Br8 Cl7.94 N16 Pt4 -","2","1","","Kelly, Mairéad E.; Dietrich, Andrea; Gómez-Ruiz, Santiago; Kalinowski, Bernd; Kaluderović, Goran N.; Müller, Thomas; Paschke, Reinhard; Schmidt, Jürgen; Steinborn, Dirk; Wagner, Christoph; Schmidt, Harry","Platinum(IV) Metallacrown Ethers: Synthesis, Structures, Host Properties and Anticancer Evaluation","Organometallics","2008","27","19","4917","","10.1021/om800323z","","","0.71073","MoKα","","0.0508","0.0276","","","0.0504","0.0557","","","","","","0.94","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071703","13.0583","0.0002","10.2477","0.0002","18.945","0.0004","90","","103.107","0.002","90","","2469.13","0.08","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Br2 Cl3 N4 O Pt -","- C21 H25 Br2 Cl3 N4 O Pt -","- C84 H100 Br8 Cl12 N16 O4 Pt4 -","4","1","","Kelly, Mairéad E.; Dietrich, Andrea; Gómez-Ruiz, Santiago; Kalinowski, Bernd; Kaluderović, Goran N.; Müller, Thomas; Paschke, Reinhard; Schmidt, Jürgen; Steinborn, Dirk; Wagner, Christoph; Schmidt, Harry","Platinum(IV) Metallacrown Ethers: Synthesis, Structures, Host Properties and Anticancer Evaluation","Organometallics","2008","27","19","4917","","10.1021/om800323z","","","0.71073","MoKα","","0.0284","0.0196","","","0.0395","0.043","","","","","","1.051","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071704","9.999","0.0004","10.9524","0.0003","13.0425","0.0011","86.17","","67.837","0.003","84.563","0.003","1316.09","0.13","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H30 Br2 Cl2 N4 O2 Pt -","- C23 H30 Br2 Cl2 N4 O2 Pt -","- C46 H60 Br4 Cl4 N8 O4 Pt2 -","2","1","","Kelly, Mairéad E.; Dietrich, Andrea; Gómez-Ruiz, Santiago; Kalinowski, Bernd; Kaluderović, Goran N.; Müller, Thomas; Paschke, Reinhard; Schmidt, Jürgen; Steinborn, Dirk; Wagner, Christoph; Schmidt, Harry","Platinum(IV) Metallacrown Ethers: Synthesis, Structures, Host Properties and Anticancer Evaluation","Organometallics","2008","27","19","4917","","10.1021/om800323z","","","0.71073","MoKα","","0.0214","0.0167","","","0.0373","0.039","","","","","","1.03","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071705","8.0053","0.0003","8.6885","0.0004","14.3922","0.0009","103.068","0.004","92.171","0.003","114.772","0.002","875.37","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 P S3 -","- C19 H17 P S3 -","- C38 H34 P2 S6 -","2","1","","Huy, Ngoc Hoa Tran; Donnadieu, Bruno; Mathey, François","The Phosphaalkene-like Reactivity of Dithienophosphinines","Organometallics","2008","27","15","4005","","10.1021/om8003256","","","0.71073","MoKα","","0.0589","0.0427","","","0.1042","0.1135","","","","","","1.049","","","","has coordinates,has disorder","178606","2020-10-21","18:00:00",""
"4071706","16.7672","0.0009","13.9265","0.0006","21.5321","0.001","90","","116.426","0.0009","90","","4502.6","0.4","173.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H76 Fe2 N4 O2.5 P4 W -","- C46 H56 Fe2 N4 P4 W -","- C184 H224 Fe8 N16 P16 W4 -","4","0.5","","Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki; Wakiji, Issei; Hidai, Masanobu","Synthesis and Reactivity of Tungsten− and Molybdenum−Dinitrogen Complexes Bearing Ferrocenyldiphosphines toward Protonolysis","Organometallics","2008","27","15","3947","","10.1021/om800327j","","","0.71069","MoKα","","","0.0357","","","","0.0883","","","","","","1.034","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071707","10.3251","0.0005","12.9548","0.0007","16.0045","0.0008","68.5308","0.0015","75.0976","0.0015","75.3906","0.0016","1895.23","0.17","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H56 Fe2 N4 P4 W -","- C36 H56 Fe2 N4 P4 W -","- C72 H112 Fe4 N8 P8 W2 -","2","1","","Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki; Wakiji, Issei; Hidai, Masanobu","Synthesis and Reactivity of Tungsten− and Molybdenum−Dinitrogen Complexes Bearing Ferrocenyldiphosphines toward Protonolysis","Organometallics","2008","27","15","3947","","10.1021/om800327j","","","0.71075","MoKα","","","0.0235","","","","0.0633","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071708","10.3341","0.0003","12.9756","0.0004","16.0505","0.0004","68.4688","0.0018","75.0902","0.0017","75.3883","0.0008","1904.58","0.1","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H56 Fe2 Mo N4 P4 -","- C36 H56 Fe2 Mo N4 P4 -","- C72 H112 Fe4 Mo2 N8 P8 -","2","1","","Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki; Wakiji, Issei; Hidai, Masanobu","Synthesis and Reactivity of Tungsten− and Molybdenum−Dinitrogen Complexes Bearing Ferrocenyldiphosphines toward Protonolysis","Organometallics","2008","27","15","3947","","10.1021/om800327j","","","0.71069","MoKα","","","0.0258","","","","0.0898","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071709","16.9906","0.0005","14.3654","0.0003","19.478","0.0005","90","","105.022","0.0006","90","","4591.7","0.2","173.1","","","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H58 F6 Fe2 N2 O6 P4 S2 W -","- C38 H53 F6 Fe2 N2 O6 P4 S2 W -","- C152 H212 F24 Fe8 N8 O24 P16 S8 W4 -","4","1","","Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki; Wakiji, Issei; Hidai, Masanobu","Synthesis and Reactivity of Tungsten− and Molybdenum−Dinitrogen Complexes Bearing Ferrocenyldiphosphines toward Protonolysis","Organometallics","2008","27","15","3947","","10.1021/om800327j","","","0.71069","MoKα","","","0.0253","","","","0.056","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071710","10.9423","0.0005","11.2199","0.0004","23.4042","0.0008","77.6402","0.001","78.933","0.0014","83.6774","0.0014","2747.42","0.19","173.1","","","","","","","","","","","9","P -1","-P 1","2","","","","- C45 H73 F6 Fe2 N2 O7 P4 S2 W -","- C45 H73 F6 Fe2 N2 O7 P4 S2 W -","- C90 H146 F12 Fe4 N4 O14 P8 S4 W2 -","2","1","","Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki; Wakiji, Issei; Hidai, Masanobu","Synthesis and Reactivity of Tungsten− and Molybdenum−Dinitrogen Complexes Bearing Ferrocenyldiphosphines toward Protonolysis","Organometallics","2008","27","15","3947","","10.1021/om800327j","","","0.71075","MoKα","","","0.0305","","","","0.0677","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071711","10.8177","0.0005","11.2497","0.0005","23.4127","0.0009","77.5875","0.0014","78.6013","0.0015","84.5651","0.0016","2723.7","0.2","173.1","","","","","","","","","","","9","P -1","-P 1","2","","","","- C45 H73 F6 Fe2 Mo N2 O7 P4 S2 -","- C45 H66 F6 Fe2 Mo N2 O7 P4 S2 -","- C90 H132 F12 Fe4 Mo2 N4 O14 P8 S4 -","2","1","","Yuki, Masahiro; Miyake, Yoshihiro; Nishibayashi, Yoshiaki; Wakiji, Issei; Hidai, Masanobu","Synthesis and Reactivity of Tungsten− and Molybdenum−Dinitrogen Complexes Bearing Ferrocenyldiphosphines toward Protonolysis","Organometallics","2008","27","15","3947","","10.1021/om800327j","","","0.71075","MoKα","","","0.0531","","","","0.1619","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071712","8.2358","0.0006","8.817","0.002","10.974","0.002","73.534","0.005","87.561","0.005","63.968","0.005","683.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H15 Cl N2 O Pd -","- C13 H15 Cl N2 O Pd -","- C26 H30 Cl2 N4 O2 Pd2 -","2","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia","New Acetonyl Palladium(II) Complexes","Organometallics","2008","27","15","3978","","10.1021/om8003288","","","0.71073","MoKα","","0.0173","0.016","","","0.0421","0.0425","","","","","","1.068","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071713","14.0831","0.0012","11.5607","0.0011","16.9448","0.0014","90","","112.467","0.004","90","","2549.4","0.4","133","2","133","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 F3 N3 O5 Pd S -","- C22.001 H28 F3.003 N3 O5.003 Pd S1.001 -","- C88.004 H112 F12.012 N12 O20.012 Pd4 S4.004 -","4","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia","New Acetonyl Palladium(II) Complexes","Organometallics","2008","27","15","3978","","10.1021/om8003288","","","0.71073","MoKα","","0.0401","0.032","","","0.0857","0.091","","","","","","1.049","","","","has coordinates,has disorder","178606","2020-10-21","18:00:00",""
"4071714","7.956","0.005","9.98","0.005","12.514","0.005","97.255","0.005","105.519","0.005","103.746","0.005","910.6","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 Cl N2 O Pd -","- C20 H23 Cl N2 O Pd -","- C40 H46 Cl2 N4 O2 Pd2 -","2","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia","New Acetonyl Palladium(II) Complexes","Organometallics","2008","27","15","3978","","10.1021/om8003288","","","0.71073","MoKα","","0.0223","0.0217","","","0.0577","0.0582","","","","","","1.127","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071715","8.2836","0.0008","13.7315","0.0007","19.6036","0.0011","90","","90","","90","","2229.8","0.3","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H17 Cl O Pd -","- C11 H17 Cl O Pd -","- C88 H136 Cl8 O8 Pd8 -","8","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia","New Acetonyl Palladium(II) Complexes","Organometallics","2008","27","15","3978","","10.1021/om8003288","","","0.71073","MoKα","","0.0399","0.0232","","","0.0425","0.0446","","","","","","0.839","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071716","5.7888","0.0002","13.1587","0.0006","11.1799","0.0005","90","","103.979","0.002","90","","826.39","0.06","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H20 Ni -","- C22 H20 Ni -","- C44 H40 Ni2 -","2","1","","Buchalski, Piotr; Jadach, Patryk; Pietrzykowski, Antoni; Suwińska, Kinga; Jerzykiewicz, Lucjan; Sadło, Jarosław","Products of the Reaction of 9-Nickelafluorenyllithium Complexes with Water","Organometallics","2008","27","14","3618","","10.1021/om800329u","","","0.71073","MoKα","","0.0485","0.0373","","","0.0848","0.0892","","","","","","1.051","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071717","12.505","0.006","9.792","0.005","19.219","0.008","90","","94.32","0.05","90","","2346.7","1.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Ni3 -","- C30 H29 Ni3 -","- C120 H116 Ni12 -","4","1","","Buchalski, Piotr; Jadach, Patryk; Pietrzykowski, Antoni; Suwińska, Kinga; Jerzykiewicz, Lucjan; Sadło, Jarosław","Products of the Reaction of 9-Nickelafluorenyllithium Complexes with Water","Organometallics","2008","27","14","3618","","10.1021/om800329u","","","0.71073","MoKα","","0.0362","0.0264","","","0.0605","0.063","","","","","","1.064","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071718","16.393","0.006","9.319","0.005","17.292","0.007","90","","109.71","0.05","90","","2487","2","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H29 Ni3 -","- C30 H29 Ni3 -","- C120 H116 Ni12 -","4","1","","Buchalski, Piotr; Jadach, Patryk; Pietrzykowski, Antoni; Suwińska, Kinga; Jerzykiewicz, Lucjan; Sadło, Jarosław","Products of the Reaction of 9-Nickelafluorenyllithium Complexes with Water","Organometallics","2008","27","14","3618","","10.1021/om800329u","","","0.71073","MoKα","","0.1109","0.0645","","","0.1641","0.1879","","","","","","0.955","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071719","13.38","0.001","11.0573","0.0009","13.949","0.001","90","","116.596","0.001","90","","1845.3","0.2","100","1","100","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 N2 V -","- C19 H29 N2 V -","- C76 H116 N8 V4 -","4","1","","Bouwkamp, Marco W.; Batinas, Aurora A.; Witte, Peter T.; Hubregtse, Ton; Dam, Jeroen; Meetsma, Auke; Teuben, Jan H.; Hessen, Bart","Relative Reactivity of the Metal−Amido versus Metal−Imido Bond in Linked Cp-Amido and Half-Sandwich Complexes of Vanadium","Organometallics","2008","27","16","4071","","10.1021/om8003306","","","0.71073","MoKα","","0.0831","0.0525","","","0.1168","0.1292","","","","","","1.03","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071720","9.2873","0.0009","12.827","0.001","16.83","0.002","93.63","0.002","94.974","0.002","104.1","0.001","1929.8","0.3","100","1","100","1","","","","","","","see text","6","P -1","-P 1","2","","","","- C46 H54 B N2 O V -","- C46 H54 B N2 O V -","- C92 H108 B2 N4 O2 V2 -","2","1","","Bouwkamp, Marco W.; Batinas, Aurora A.; Witte, Peter T.; Hubregtse, Ton; Dam, Jeroen; Meetsma, Auke; Teuben, Jan H.; Hessen, Bart","Relative Reactivity of the Metal−Amido versus Metal−Imido Bond in Linked Cp-Amido and Half-Sandwich Complexes of Vanadium","Organometallics","2008","27","16","4071","","10.1021/om8003306","","","0.71073","MoKα","","0.1211","0.0823","","","0.2059","0.2313","","","","","","1.022","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071721","6.3928","0.0007","10.6551","0.0012","10.8766","0.0012","100.632","0.002","96.245","0.002","93.51","0.002","721.32","0.14","203","2","203","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H16 N2 O2 Si W -","- C11 H16 N2 O2 Si W -","- C22 H32 N4 O4 Si2 W2 -","2","1","","Fortman, George C.; Isrow, Derek; McDonough, James E.; Schleyer, Paul von Ragué; Schaefer, Henry F.; Scott, Brian; Kubas, Gregory J.; Kégl, Tamás; Ungváry, Ferenc; Hoff, Carl D.","Kinetic and Thermodynamic Studies of the Reactivity of (Trimethylsilyl)diazomethane with HMo(CO)3(C5R5) (R = H, Me). Estimation of the Mo−N2CH2SiMe3Bond Strength and Experimental Determination of the Enthalpy of Formation of (Trimethylsilyl)diazomethane","Organometallics","2008","27","19","4873","","10.1021/om800336p","","","0.71073","MoKα","","0.0326","0.0311","","","0.0752","0.0764","","","","","","1.114","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071722","7.4493","0.0002","12.5125","0.0003","14.4119","0.0004","71.541","0.002","85.738","0.001","77.417","0.001","1243.59","0.06","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H35 Fe P -","- C30 H35 Fe P -","- C60 H70 Fe2 P2 -","2","1","","Huber, Dominique P.; Kehr, Gerald; Bergander, Klaus; Fröhlich, Roland; Erker, Gerhard; Tanino, Soichiro; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Heterolytic Cleavage of Dihydrogen by Frustrated Lewis Pairs Derived from α-(Dimesitylphosphino)ferrocenes and B(C6F5)3†","Organometallics","2008","27","20","5279","","10.1021/om800339c","","","0.71073","MoKα","","0.1245","0.0591","","","0.123","0.1488","","","","","","1.001","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071723","15.499","0.0002","15.257","0.0002","22.8414","0.0003","90","","90","","90","","5401.27","0.12","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C32 H37 Fe P -","- C32 H37 Fe P -","- C256 H296 Fe8 P8 -","8","1","","Huber, Dominique P.; Kehr, Gerald; Bergander, Klaus; Fröhlich, Roland; Erker, Gerhard; Tanino, Soichiro; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Heterolytic Cleavage of Dihydrogen by Frustrated Lewis Pairs Derived from α-(Dimesitylphosphino)ferrocenes and B(C6F5)3†","Organometallics","2008","27","20","5279","","10.1021/om800339c","","","0.71073","MoKα","","0.1085","0.0531","","","0.1262","0.1459","","","","","","1.051","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071724","9.8523","0.0004","7.6564","0.0003","15.4974","0.0007","90","","106.337","0.002","90","","1121.82","0.08","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H16 Fe -","- C14 H16 Fe -","- C56 H64 Fe4 -","4","1","","Huber, Dominique P.; Kehr, Gerald; Bergander, Klaus; Fröhlich, Roland; Erker, Gerhard; Tanino, Soichiro; Ohki, Yasuhiro; Tatsumi, Kazuyuki","Heterolytic Cleavage of Dihydrogen by Frustrated Lewis Pairs Derived from α-(Dimesitylphosphino)ferrocenes and B(C6F5)3†","Organometallics","2008","27","20","5279","","10.1021/om800339c","","","0.71073","MoKα","","0.1184","0.049","","","0.0962","0.1146","","","","","","1.028","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071725","10.647","0.003","10.747","0.003","15.536","0.005","85.044","0.005","72.925","0.005","72.852","0.005","1623.8","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Fe O4 P2 Pd -","- C38 H32 Fe O4 P2 Pd -","- C76 H64 Fe2 O8 P4 Pd2 -","2","1","","Bar, Arun Kumar; Chakrabarty, Rajesh; Mukherjee, Partha Sarathi","Unusual Hydrogenation of Fumarate Anion Followed by Metal−Carbon Bond Formation: Synthesis and Characterization of Two Metallochelates","Organometallics","2008","27","15","3806","","10.1021/om800341p","","","0.71073","MoKα","","0.0499","0.0354","","","0.0679","0.0788","","","","","","1.071","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071726","10.562","0.003","10.742","0.003","15.34","0.004","84.819","0.006","72.969","0.006","73.107","0.005","1592.3","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 Fe O4 P2 Pt -","- C38 H31 Fe O4 P2 Pt -","- C76 H62 Fe2 O8 P4 Pt2 -","2","1","","Bar, Arun Kumar; Chakrabarty, Rajesh; Mukherjee, Partha Sarathi","Unusual Hydrogenation of Fumarate Anion Followed by Metal−Carbon Bond Formation: Synthesis and Characterization of Two Metallochelates","Organometallics","2008","27","15","3806","","10.1021/om800341p","","","0.71073","MoKα","","0.1618","0.1491","","","0.3901","0.3953","","","","","","1.116","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071727","22.552","0.006","10.59","0.003","12.22","0.003","90","","95.93","0.005","90","","2902.8","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Fe O3 P2 -","- C34 H30 Fe O3 P2 -","- C136 H120 Fe4 O12 P8 -","4","1","","Bar, Arun Kumar; Chakrabarty, Rajesh; Mukherjee, Partha Sarathi","Unusual Hydrogenation of Fumarate Anion Followed by Metal−Carbon Bond Formation: Synthesis and Characterization of Two Metallochelates","Organometallics","2008","27","15","3806","","10.1021/om800341p","","","0.71073","MoKα","","0.1465","0.0735","","","0.1319","0.1573","","","","","","1.046","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071728","11.0773","0.0004","12.7834","0.0005","14.8553","0.0005","83.17","0.003","89.9","0.003","79.024","0.002","2049.99","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H60 Cl4 In2 N2 Si6 -","- C22 H60 Cl4 In2 N2 Si6 -","- C44 H120 Cl8 In4 N4 Si12 -","2","1","","Schachner, Jörg A.; Lund, Clinton L.; Burgess, Ian J.; Quail, J. Wilson; Schatte, Gabriele; Müller, Jens","The Dynamic Indium-Bridged [1.1]Ferrocenophane [(Me2Ntsi)In(C5H4)2Fe]2","Organometallics","2008","27","18","4703","","10.1021/om800342e","","","0.71073","MoKα","","0.0697","0.05","","","0.1143","0.125","","","","","","1.074","","","","has coordinates,has disorder","178606","2020-10-21","18:00:00",""
"4071729","8.3419","0.0002","17.938","0.0006","16.57","0.0004","90","","116.658","0.0017","90","","2215.92","0.11","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H30 I2 In N Si3 -","- C11 H30 I2 In N Si3 -","- C44 H120 I8 In4 N4 Si12 -","4","1","","Schachner, Jörg A.; Lund, Clinton L.; Burgess, Ian J.; Quail, J. Wilson; Schatte, Gabriele; Müller, Jens","The Dynamic Indium-Bridged [1.1]Ferrocenophane [(Me2Ntsi)In(C5H4)2Fe]2","Organometallics","2008","27","18","4703","","10.1021/om800342e","","","0.71073","MoKα","","0.0521","0.0423","","","0.098","0.1044","","","","","","1.069","","","","has coordinates,has disorder","178606","2020-10-21","18:00:00",""
"4071730","17.1413","0.0004","9.5085","0.0003","16.7639","0.0005","90","","112.153","0.001","90","","2530.62","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H76 Fe2 In2 N2 Si6 -","- C42 H76 Fe2 In2 N2 Si6 -","- C84 H152 Fe4 In4 N4 Si12 -","2","0.5","","Schachner, Jörg A.; Lund, Clinton L.; Burgess, Ian J.; Quail, J. Wilson; Schatte, Gabriele; Müller, Jens","The Dynamic Indium-Bridged [1.1]Ferrocenophane [(Me2Ntsi)In(C5H4)2Fe]2","Organometallics","2008","27","18","4703","","10.1021/om800342e","","","0.71073","MoKα","","0.0711","0.0437","","","0.0826","0.0929","","","","","","1.052","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071731","12.3804","0.0009","15.0022","0.0011","18.9812","0.0013","90","","90","","90","","3525.4","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H47 N P2 Ru -","- C41 H47 N P2 Ru -","- C164 H188 N4 P8 Ru4 -","4","1","","Derrah, Eric J.; Giesbrecht, Karina E.; McDonald, Robert; Rosenberg, Lisa","Ruthenated Acetonitrile: Unusual Brønsted Acidity of a Polar “Aprotic” Solvent","Organometallics","2008","27","19","5025","","10.1021/om800343x","","","0.71073","MoKα","","0.0376","0.0301","","","0.0648","0.0675","","","","","","1.053","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071732","8.8726","0.0004","14.5203","0.0007","19.0631","0.0007","90","","96.1559","0.0017","90","","2441.79","0.18","173.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Cl3 P Ru2 -","- C22 H36 Cl3 P Ru2 -","- C88 H144 Cl12 P4 Ru8 -","4","1","","Miyake, Yoshihiro; Endo, Satoshi; Nomaguchi, Yohei; Yuki, Masahiro; Nishibayashi, Yoshiaki","Novel Monophosphido-Bridged Diruthenium Complexes: Efficient Preparative Method and Catalytic Activity toward Reactions of Propargylic Alcohols with Aromatic Compounds","Organometallics","2008","27","15","4017","","10.1021/om8003465","","","0.71069","MoKα","","","0.0613","","","","0.1789","","","","","","0.99","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071733","19.1907","0.0004","19.1907","0.0004","16.3113","0.0004","90","","90","","90","","6007.2","0.2","173.1","","","","","","","","","","","8","P 42/n :2","-P 4bc","86","","","","- C25 H40 Cl2 F3 O3 P Ru2 S -","- C25 H40 Cl2 F3 O3 P Ru2 S -","- C200 H320 Cl16 F24 O24 P8 Ru16 S8 -","8","1","","Miyake, Yoshihiro; Endo, Satoshi; Nomaguchi, Yohei; Yuki, Masahiro; Nishibayashi, Yoshiaki","Novel Monophosphido-Bridged Diruthenium Complexes: Efficient Preparative Method and Catalytic Activity toward Reactions of Propargylic Alcohols with Aromatic Compounds","Organometallics","2008","27","15","4017","","10.1021/om8003465","","","0.71075","MoKα","","","0.0223","","","","0.0497","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071734","5.79","0.0002","10.7142","0.0003","16.4602","0.0005","90","","93.551","0.002","90","","1019.15","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H4 N O5 Re -","- C9 H4 N O5 Re -","- C36 H16 N4 O20 Re4 -","4","1","","Mirebeau, Jean-Hugues; Le Bideau, Franck; Marrot, Jérôme; Jaouen, Gérard","Synthesis of Rhenium Carbonyl Complexes Bearing Substituted Pyrrolyl Ligands","Organometallics","2008","27","13","2911","","10.1021/om800348a","","","0.71073","MoKα","","0.0263","0.0194","","","0.0467","0.0702","","","","","","1.178","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071735","18.0665","0.0006","8.2603","0.0002","18.3269","0.0006","90","","118.733","0.002","90","","2398.25","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N O4 P Re -","- C27 H21 N O4 P Re -","- C108 H84 N4 O16 P4 Re4 -","4","1","","Mirebeau, Jean-Hugues; Le Bideau, Franck; Marrot, Jérôme; Jaouen, Gérard","Synthesis of Rhenium Carbonyl Complexes Bearing Substituted Pyrrolyl Ligands","Organometallics","2008","27","13","2911","","10.1021/om800348a","","","0.71073","MoKα","","0.0668","0.0616","","","0.1598","0.169","","","","","","1.343","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071736","11.4079","0.0007","13.8663","0.0008","24.1144","0.0016","96.727","0.002","91.573","0.003","100.436","0.005","3721","0.4","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H111 B2 P3 S2 U -","- C79 H111 B2 P3 S2 U -","- C158 H222 B4 P6 S4 U2 -","2","1","","Arliguie, Thérèse; Blug, Matthias; Le Floch, Pascal; Mézailles, Nicolas; Thuéry, Pierre; Ephritikhine, Michel","Organouranium Complexes with Phosphinine-Based SPS Pincer Ligands. Variations with the Substituent at the Phosphorus Atom","Organometallics","2008","27","16","4158","","10.1021/om8003493","","","0.71073","MoKα","","0.0815","0.059","","","0.1267","0.1372","","","","","","1.078","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071737","13.33","0.0015","16.0507","0.001","22.223","0.002","90","","97.554","0.004","90","","4713.5","0.7","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H54 B O P3 S2 U -","- C54 H54 B O P3 S2 U -","- C216 H216 B4 O4 P12 S8 U4 -","4","1","","Arliguie, Thérèse; Blug, Matthias; Le Floch, Pascal; Mézailles, Nicolas; Thuéry, Pierre; Ephritikhine, Michel","Organouranium Complexes with Phosphinine-Based SPS Pincer Ligands. Variations with the Substituent at the Phosphorus Atom","Organometallics","2008","27","16","4158","","10.1021/om8003493","","","0.71073","MoKα","","0.1386","0.0664","","","0.1136","0.1381","","","","","","1.006","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071738","12.9649","0.0003","15.8235","0.0004","19.9331","0.0004","94.93","0.002","104.712","0.003","93.076","0.002","3928.47","0.17","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C84 H90 B N3 O2 P4 S2 U -","- C84 H90 B N3 O2 P4 S2 U -","- C168 H180 B2 N6 O4 P8 S4 U2 -","2","1","","Arliguie, Thérèse; Blug, Matthias; Le Floch, Pascal; Mézailles, Nicolas; Thuéry, Pierre; Ephritikhine, Michel","Organouranium Complexes with Phosphinine-Based SPS Pincer Ligands. Variations with the Substituent at the Phosphorus Atom","Organometallics","2008","27","16","4158","","10.1021/om8003493","","","0.71073","MoKα","","0.0309","0.0252","","","0.0639","0.0652","","","","","","1.067","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071739","12.596","0.002","13.3444","0.0019","17.325","0.002","68.359","0.009","88.154","0.009","66.305","0.009","2455.5","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C55 H56 B O1.5 P3 S2 U -","- C55.4999 H52 B O P3 S2 U -","- C111 H104 B2 O2 P6 S4 U2 -","2","1","","Arliguie, Thérèse; Blug, Matthias; Le Floch, Pascal; Mézailles, Nicolas; Thuéry, Pierre; Ephritikhine, Michel","Organouranium Complexes with Phosphinine-Based SPS Pincer Ligands. Variations with the Substituent at the Phosphorus Atom","Organometallics","2008","27","16","4158","","10.1021/om8003493","","","0.71073","MoKα","","0.1587","0.0717","","","0.1251","0.1585","","","","","","0.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071740","12.8051","0.001","9.1321","0.0007","17.4375","0.0016","90","","96.989","0.006","90","","2023.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 O2 P2 S4 U2 -","- C42 H42 O2 P2 S4 U2 -","- C84 H84 O4 P4 S8 U4 -","2","0.5","","Arliguie, Thérèse; Blug, Matthias; Le Floch, Pascal; Mézailles, Nicolas; Thuéry, Pierre; Ephritikhine, Michel","Organouranium Complexes with Phosphinine-Based SPS Pincer Ligands. Variations with the Substituent at the Phosphorus Atom","Organometallics","2008","27","16","4158","","10.1021/om8003493","","","0.71073","MoKα","","0.0514","0.0328","","","0.0666","0.0728","","","","","","1.005","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071741","15.068","0.0013","17.7057","0.0018","13.0618","0.0013","90","","95.326","0.006","90","","3469.7","0.6","100","2","100","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C56 H80 O6 S8 U6 -","- C56 H80 O6 S8 U6 -","- C112 H160 O12 S16 U12 -","2","0.25","","Arliguie, Thérèse; Blug, Matthias; Le Floch, Pascal; Mézailles, Nicolas; Thuéry, Pierre; Ephritikhine, Michel","Organouranium Complexes with Phosphinine-Based SPS Pincer Ligands. Variations with the Substituent at the Phosphorus Atom","Organometallics","2008","27","16","4158","","10.1021/om8003493","","","0.71073","MoKα","","0.0833","0.0536","","","0.1111","0.1226","","","","","","1.054","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071742","37.288","0.0007","11.759","0.0002","37.4162","0.0007","90","","91.496","0.001","90","","16400.3","0.5","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C31 H7 B F38 O2 P2 Pt -","- C31 H7 B F38 O2 P2 Pt -","- C496 H112 B16 F608 O32 P32 Pt16 -","16","2","","Basu, Sayanti; Arulsamy, Navamoney; Roddick, Dean M.","Synthesis of [(dfepe)Pt(Me)(NC5F5)]+B(C6F5)4−, a Highly Active Ethylene Dimerization Catalyst","Organometallics","2008","27","15","3659","","10.1021/om8003509","","","0.71073","MoKα","","0.06","0.0407","","","0.079","0.0866","","","","","","1.011","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071743","13.3406","0.0014","15.748","0.002","17.943","0.002","67.388","0.008","75.126","0.009","75.726","0.01","3316.7","0.7","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H14 B Cl F60 P4 Pt2 -","- C46 H14 B Cl F60 P4 Pt2 -","- C92 H28 B2 Cl2 F120 P8 Pt4 -","2","1","","Basu, Sayanti; Arulsamy, Navamoney; Roddick, Dean M.","Synthesis of [(dfepe)Pt(Me)(NC5F5)]+B(C6F5)4−, a Highly Active Ethylene Dimerization Catalyst","Organometallics","2008","27","15","3659","","10.1021/om8003509","","","0.71073","MoKα","","0.0767","0.056","","","0.1448","0.1591","","","","","","1.029","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071744","30.6236","0.0006","10.3226","0.0002","17.6987","0.0004","90","","122.813","0.001","90","","4702.14","0.18","100","2","100","2","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C40 H7 B F45 N P2 Pt -","- C40 H7 B F45 N P2 Pt -","- C160 H28 B4 F180 N4 P8 Pt4 -","4","1","","Basu, Sayanti; Arulsamy, Navamoney; Roddick, Dean M.","Synthesis of [(dfepe)Pt(Me)(NC5F5)]+B(C6F5)4−, a Highly Active Ethylene Dimerization Catalyst","Organometallics","2008","27","15","3659","","10.1021/om8003509","","","0.71073","MoKα","","0.0312","0.0269","","","0.0529","0.0552","","","","","","0.865","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071745","7.4979","0.0004","16.7508","0.001","20.6495","0.0012","90","","90","","90","","2593.5","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H38 I Ir P2 -","- C27 H38 I Ir P2 -","- C108 H152 I4 Ir4 P8 -","4","1","","Romero, Patricio E.; Whited, Matthew T.; Grubbs, Robert H.","Multiple C−H Activations of Methyltert-Butyl Ether at Pincer Iridium Complexes: Synthesis and Thermolysis of Ir(I) Fischer Carbenes1","Organometallics","2008","27","14","3422","","10.1021/om8003515","","","0.71073","MoKα","","0.0568","0.0442","","","0.0986","0.1029","","","","","","1.039","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071746","8.2807","0.0006","14.1531","0.001","11.5174","0.0009","90","","106.646","0.002","90","","1293.24","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H37 Ir O P2 -","- C27 H35 Ir O P2 -","- C54 H70 Ir2 O2 P4 -","2","1","","Romero, Patricio E.; Whited, Matthew T.; Grubbs, Robert H.","Multiple C−H Activations of Methyltert-Butyl Ether at Pincer Iridium Complexes: Synthesis and Thermolysis of Ir(I) Fischer Carbenes1","Organometallics","2008","27","14","3422","","10.1021/om8003515","","","0.71073","MoKα","","0.0991","0.0559","","","0.1075","0.127","","","","","","1.06","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071747","15.554","0.004","11.303","0.003","18.303","0.004","90","","91.557","0.008","90","","3216.6","1.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H50 Ir N O P2 -","- C31 H50 Ir N O P2 -","- C124 H200 Ir4 N4 O4 P8 -","4","1","","Romero, Patricio E.; Whited, Matthew T.; Grubbs, Robert H.","Multiple C−H Activations of Methyltert-Butyl Ether at Pincer Iridium Complexes: Synthesis and Thermolysis of Ir(I) Fischer Carbenes1","Organometallics","2008","27","14","3422","","10.1021/om8003515","","","0.71073","MoKα","","0.113","0.0526","","","0.0888","0.1046","","","","","","1.314","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071748","11.0661","0.0003","14.367","0.0004","20.2719","0.0005","90","","90","","90","","3222.96","0.15","100","2","100","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C33 H48 Ir N O P2 -","- C33 H46 Ir N O P2 -","- C132 H184 Ir4 N4 O4 P8 -","4","0.5","","Romero, Patricio E.; Whited, Matthew T.; Grubbs, Robert H.","Multiple C−H Activations of Methyltert-Butyl Ether at Pincer Iridium Complexes: Synthesis and Thermolysis of Ir(I) Fischer Carbenes1","Organometallics","2008","27","14","3422","","10.1021/om8003515","","","0.71073","MoKα","","0.0646","0.0365","","","0.0722","0.0787","","","","","","1.527","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071749","10.8132","0.0009","17.3988","0.0013","34.178","0.003","90","","90","","90","","6430.1","0.9","223","2","223","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl3 Cr N2 P2 -","- C32 H34 Cl3 Cr N2 P2 -","- C256 H272 Cl24 Cr8 N16 P16 -","8","1","","Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy","Unusual Ligand Transformation Mediated by Chromium(III): Hydrolytic Disintegration of a [PNP] Hybrid Ligand with CH3CN Insertion","Organometallics","2008","27","16","4188","","10.1021/om800353a","","","0.71073","MoKα","","0.1026","0.0626","","","0.112","0.1243","","","","","","1.032","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071750","20.424","0.015","8.974","0.007","12.342","0.009","90","","99.544","0.015","90","","2231","3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H25 N O2 P2 -","- C26 H25 N O2 P2 -","- C104 H100 N4 O8 P8 -","4","0.5","","Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy","Unusual Ligand Transformation Mediated by Chromium(III): Hydrolytic Disintegration of a [PNP] Hybrid Ligand with CH3CN Insertion","Organometallics","2008","27","16","4188","","10.1021/om800353a","","","0.71073","MoKα","","0.1079","0.0827","","","0.2262","0.2453","","","","","","1.068","","","","has coordinates,has disorder","178606","2020-10-21","18:00:00",""
"4071751","20.8878","0.0015","18.7658","0.0014","15.4625","0.001","90","","110.622","0.002","90","","5672.6","0.7","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H53 Cl6 Cr2 N3 O6 P4 -","- C54 H53 Cl6 Cr2 N3 O6 P4 -","- C216 H212 Cl24 Cr8 N12 O24 P16 -","4","1","","Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy","Unusual Ligand Transformation Mediated by Chromium(III): Hydrolytic Disintegration of a [PNP] Hybrid Ligand with CH3CN Insertion","Organometallics","2008","27","16","4188","","10.1021/om800353a","","","0.71073","MoKα","","0.1626","0.1034","","","0.2122","0.2383","","","","","","1.091","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071752","19.3619","0.0007","10.0596","0.0003","26.0871","0.0008","90","","106.274","0.0013","90","","4877.5","0.3","103","2","103","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Fe2 O Si2 -","- C54 H72 Fe2 O Si2 -","- C216 H288 Fe8 O4 Si8 -","4","0.5","","Sasamori, Takahiro; Yuasa, Akihiro; Hosoi, Yoshinobu; Furukawa, Yukio; Tokitoh, Norihiro","1,2-Bis(ferrocenyl)disilene: A Multistep Redox System with an SiSi Double Bond","Organometallics","2008","27","14","3325","","10.1021/om8003543","","","0.71069","MoKα","","0.0727","0.0446","","","0.1129","0.1238","","","","","","1.066","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071753","9.2204","0.0002","12.5311","0.0003","15.1144","0.0004","70.815","0.0018","80.039","0.001","69.2381","0.001","1539.09","0.07","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H41 Cl2 Fe Si -","- C34 H41 Cl2 Fe Si -","- C68 H82 Cl4 Fe2 Si2 -","2","1","","Sasamori, Takahiro; Yuasa, Akihiro; Hosoi, Yoshinobu; Furukawa, Yukio; Tokitoh, Norihiro","1,2-Bis(ferrocenyl)disilene: A Multistep Redox System with an SiSi Double Bond","Organometallics","2008","27","14","3325","","10.1021/om8003543","","","0.71069","MoKα","","0.0364","0.0293","","","0.0719","0.0759","","","","","","1.042","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071754","11.0753","0.0007","12.0391","0.0008","12.0906","0.0008","90.121","0.001","98.385","0.001","101.599","0.001","1561.5","0.18","273","2","273","2","","","","","","","","5","P -1","-P 1","2","organotin nitrate","","","- C28 H29 N7 O10 Sn2 -","- C28 H29 N7 O10 Sn2 -","- C56 H58 N14 O20 Sn4 -","2","1","","Chandrasekhar, Vadapalli; Singh, Puja","Trapping a Discrete [R2Sn(μ-OH)SnR2] Motif. Synthesis and Structural Characterization of [{(Phen)(NO3)Me2Sn(μ-OH)SnMe2(NO3)(Phen)}{NO3}] (Phen = 1,10-Phenanthroline)","Organometallics","2008","27","16","4083","","10.1021/om800359b","","","0.71073","MoKα","","0.0258","0.0242","","","0.0624","0.0665","","","","","","1.086","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071755","18.3466","0.0007","8.7694","0.0003","30.5284","0.001","90","","103.484","0.0011","90","","4776.3","0.3","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 O2 Ru2 -","- C26 H36 O2 Ru2 -","- C208 H288 O16 Ru16 -","8","1","","Takao, Toshiro; Akiyoshi, Kazunori; Suzuki, Hiroharu","Preparation and Properties of Diruthenium Hydrido Complexes Having a Bridging Benzoquinone Ligand: Formation of an Alcohol Adduct of a μ-η2:η2-Benzoquinone Complex through Hydrogen Bonding","Organometallics","2008","27","16","4199","","10.1021/om800363f","","","0.71069","MoKα","","0.0234","0.0204","","","0.0504","0.0518","","","","","","1.08","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071756","8.6409","0.00016","33.732","0.0006","13.1044","0.0003","90","","103.598","0.0007","90","","3712.54","0.13","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H51 O4.5 Ru2 -","- C41 H50 O4.5 Ru2 -","- C164 H200 O18 Ru8 -","4","1","","Takao, Toshiro; Akiyoshi, Kazunori; Suzuki, Hiroharu","Preparation and Properties of Diruthenium Hydrido Complexes Having a Bridging Benzoquinone Ligand: Formation of an Alcohol Adduct of a μ-η2:η2-Benzoquinone Complex through Hydrogen Bonding","Organometallics","2008","27","16","4199","","10.1021/om800363f","","","0.71069","MoKα","","0.0217","0.0192","","","0.0494","0.0508","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071757","17.6283","0.0005","14.9024","0.0004","20.4564","0.0007","90","","113.042","0.0011","90","","4945.2","0.3","153","2","153","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C28 H38 O2 Ru2 -","- C28 H37 O2 Ru2 -","- C224 H296 O16 Ru16 -","8","2","","Takao, Toshiro; Akiyoshi, Kazunori; Suzuki, Hiroharu","Preparation and Properties of Diruthenium Hydrido Complexes Having a Bridging Benzoquinone Ligand: Formation of an Alcohol Adduct of a μ-η2:η2-Benzoquinone Complex through Hydrogen Bonding","Organometallics","2008","27","16","4199","","10.1021/om800363f","","","0.71069","MoKα","","0.0402","0.0333","","","0.0666","0.0689","","","","","","1.103","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071758","25.7685","0.0016","15.7564","0.001","29.3881","0.0018","90","","106.599","0.001","90","","11434.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C117 H178 N6 O2 Si Y3 -","- C117 H178 N6 O2 Si Y3 -","- C468 H712 N24 O8 Si4 Y12 -","4","1","","Lyubov, Dmitrii M.; Döring, Christian; Fukin, Georgii K.; Cherkasov, Anton V.; Shavyrin, Andrei S.; Kempe, Rhett; Trifonov, Alexander A.","Selective Assembly of Trinuclear Rare-Earth Alkyl Hydrido Clusters Supported by Amidopyridinate Ligands","Organometallics","2008","27","13","2905","","10.1021/om800364b","","","0.71073","MoKα","","0.0917","0.054","","","0.1225","0.1344","","","","","","1.015","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071759","36.236","0.002","12.7914","0.0007","23.7867","0.0014","90","","105.625","0.001","90","","10617.9","1","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H87 Lu N2 O Si2 -","- C49.94 H86.86 Lu N2 O Si2 -","- C399.52 H694.88 Lu8 N16 O8 Si16 -","8","1","","Lyubov, Dmitrii M.; Döring, Christian; Fukin, Georgii K.; Cherkasov, Anton V.; Shavyrin, Andrei S.; Kempe, Rhett; Trifonov, Alexander A.","Selective Assembly of Trinuclear Rare-Earth Alkyl Hydrido Clusters Supported by Amidopyridinate Ligands","Organometallics","2008","27","13","2905","","10.1021/om800364b","","","0.71073","MoKα","","0.0532","0.0384","","","0.0926","0.099","","","","","","1.061","","","","has coordinates,has disorder","178606","2020-10-21","18:00:00",""
"4071760","12.828","0.0009","13.41","0.0009","15.715","0.001","71.15","0.005","84.948","0.005","65.743","0.005","2329.4","0.3","191","2","191","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H59 Cl2 Li0 N2 O2 Y -","- C44 H67 Cl3 Li N2 O3 Y -","- C88 H134 Cl6 Li2 N4 O6 Y2 -","2","1","","Lyubov, Dmitrii M.; Döring, Christian; Fukin, Georgii K.; Cherkasov, Anton V.; Shavyrin, Andrei S.; Kempe, Rhett; Trifonov, Alexander A.","Selective Assembly of Trinuclear Rare-Earth Alkyl Hydrido Clusters Supported by Amidopyridinate Ligands","Organometallics","2008","27","13","2905","","10.1021/om800364b","","","0.71069","MoKα","","0.1089","0.063","","","0.1193","0.1345","","","","","","0.934","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071761","11.2488","0.0002","15.0628","0.0002","15.3236","0.0002","66.061","0.001","78.15","0.001","89.338","0.001","2315","0.06","90","1","90","1","","","","","","","","6","P -1","-P 1","2","","","","- C42.5 H52 Cl8 N3 P Ru -","- C42.5 H46 Cl8 N3 P Ru -","- C85 H92 Cl16 N6 P2 Ru2 -","2","1","","Galan, Brandon R.; Pitak, Mateusz; Keister, Jerome B.; Diver, Steven T.","Isocyanide-Promoted Ylidene Transfer to Phosphorus: Rearrangement in the First-Generation Grubbs Complex","Organometallics","2008","27","15","3630","","10.1021/om8003652","","","0.71073","MoKα","","0.0317","0.0266","","","0.0728","0.0769","","","","","","1.068","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071762","15.536","0.002","17.959","0.002","18.176","0.002","88.668","0.002","86.415","0.002","68.656","0.001","4714.2","1","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H72 Ag4 F24 N20 O2 P4 -","- C76 H72 Ag4 F24 N20 O2 P4 -","- C152 H144 Ag8 F48 N40 O4 P8 -","2","1","","Zhang, Xiaoming; Xi, Zhenxing; Liu, Ailing; Chen, Wanzhi","Facile and Efficient Olefination of Aryl Halides Catalyzed by a Palladium Complex Containing a Heteroarene-Functionalized N-Heterocyclic Carbene","Organometallics","2008","27","17","4401","","10.1021/om8003674","","","0.71073","MoKα","","0.0753","0.051","","","0.1513","0.1723","","","","","","1.046","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071763","8.4236","0.0009","12.5375","0.0013","46.354","0.004","90","","90","","90","","4895.5","0.8","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H44 F12 N12 O P2 Pd -","- C43 H44 F12 N12 O P2 Pd -","- C172 H176 F48 N48 O4 P8 Pd4 -","4","1","","Zhang, Xiaoming; Xi, Zhenxing; Liu, Ailing; Chen, Wanzhi","Facile and Efficient Olefination of Aryl Halides Catalyzed by a Palladium Complex Containing a Heteroarene-Functionalized N-Heterocyclic Carbene","Organometallics","2008","27","17","4401","","10.1021/om8003674","","","0.71073","MoKα","","0.088","0.0613","","","0.124","0.1338","","","","","","1.019","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071764","8.3452","0.0005","22.6264","0.0013","16.2627","0.001","90","","98.299","0.006","90","","3038.6","0.3","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H38 Mo2 N2 S3 -","- C31 H38 Mo2 N2 S3 -","- C124 H152 Mo8 N8 S12 -","4","1","","Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean","C−C, C−S, and C−N Coupling versus Dealkylation Processes in the Cationic Tris(thiolato)dimolybdenum(III) Complexes [Mo2Cp2(μ-SMe)3L2]+(L = xylNC,t-BuNC, CO, MeCN)","Organometallics","2008","27","16","4207","","10.1021/om8003702","","x-ray","0.71073","MoKα","","0.0654","0.0431","","","0.0938","0.1036","","","","","","0.997","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071765","9.8972","0.0008","12.5566","0.0007","9.3093","0.0007","90","","90.261","0.007","90","","1156.9","0.14","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H25 Mo2 N S4 -","- C21 H25 Mo2 N S4 -","- C42 H50 Mo4 N2 S8 -","2","1","","Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean","C−C, C−S, and C−N Coupling versus Dealkylation Processes in the Cationic Tris(thiolato)dimolybdenum(III) Complexes [Mo2Cp2(μ-SMe)3L2]+(L = xylNC,t-BuNC, CO, MeCN)","Organometallics","2008","27","16","4207","","10.1021/om8003702","","x-ray","0.71073","MoKα","","0.0589","0.0317","","","0.056","0.0616","","","","","","0.862","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071766","8.4425","0.0006","11.7806","0.0014","14.4002","0.0016","100.234","0.01","95.882","0.007","90.15","0.007","1401.7","0.3","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 Mo2 N2 S2 -","- C32 H34 Mo2 N2 S2 -","- C64 H68 Mo4 N4 S4 -","2","1","","Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean","C−C, C−S, and C−N Coupling versus Dealkylation Processes in the Cationic Tris(thiolato)dimolybdenum(III) Complexes [Mo2Cp2(μ-SMe)3L2]+(L = xylNC,t-BuNC, CO, MeCN)","Organometallics","2008","27","16","4207","","10.1021/om8003702","","","0.71073","MoKα","","0.0566","0.0352","","","0.0681","0.0752","","","","","","0.991","","","","has coordinates","192774","2020-10-21","18:00:00",""
"4071767","15.2743","0.0006","18.2217","0.0006","19.7904","0.0008","90","","107.814","0.004","90","","5244","0.4","170","2","170","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H55 Br Cl4 Mo2 N4 S2 -","- C50 H55 Br Cl4 Mo2 N4 S2 -","- C200 H220 Br4 Cl16 Mo8 N16 S8 -","4","1","","Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean","C−C, C−S, and C−N Coupling versus Dealkylation Processes in the Cationic Tris(thiolato)dimolybdenum(III) Complexes [Mo2Cp2(μ-SMe)3L2]+(L = xylNC,t-BuNC, CO, MeCN)","Organometallics","2008","27","16","4207","","10.1021/om8003702","","x-ray","0.71073","MoKα","","0.0757","0.0365","","","0.0811","0.1091","","","","","","1.151","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071768","15.6411","0.0006","15.8771","0.0004","17.5708","0.0005","93.078","0.002","95.249","0.003","93.064","0.003","4331.4","0.2","170","2","170","2","","","","","","","","7","P -1","-P 1","2","","","","- C196 H194 B4 Mo4 N8 O S4 -","- C196 H194 B4 Mo4 N8 O S4 -","- C196 H194 B4 Mo4 N8 O S4 -","1","0.5","","Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean","C−C, C−S, and C−N Coupling versus Dealkylation Processes in the Cationic Tris(thiolato)dimolybdenum(III) Complexes [Mo2Cp2(μ-SMe)3L2]+(L = xylNC,t-BuNC, CO, MeCN)","Organometallics","2008","27","16","4207","","10.1021/om8003702","","x-ray","0.71073","MoKα","","0.067","0.0379","","","0.1027","0.1091","","","","","","0.929","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071769","16.083","0.0009","10.1516","0.0005","13.2453","0.0008","90","","110.9","0.007","90","","2020.3","0.2","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H40 Mo4 O4 S6 -","- C35 H40 Mo4 O4 S6 -","- C70 H80 Mo8 O8 S12 -","2","0.5","","Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean","C−C, C−S, and C−N Coupling versus Dealkylation Processes in the Cationic Tris(thiolato)dimolybdenum(III) Complexes [Mo2Cp2(μ-SMe)3L2]+(L = xylNC,t-BuNC, CO, MeCN)","Organometallics","2008","27","16","4207","","10.1021/om8003702","","x-ray","0.71073","MoKα","","0.0564","0.0451","","","0.1171","0.1214","","","","","","1.191","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071770","10.8247","0.0007","12.9834","0.0005","16.0843","0.001","90","","113.652","0.007","90","","2070.6","0.2","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 Cl2 Mo2 O3 S3 -","- C15 H20 Cl2 Mo2 O3 S3 -","- C60 H80 Cl8 Mo8 O12 S12 -","4","1","","Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, P.; Talarmin, Jean","C−C, C−S, and C−N Coupling versus Dealkylation Processes in the Cationic Tris(thiolato)dimolybdenum(III) Complexes [Mo2Cp2(μ-SMe)3L2]+(L = xylNC,t-BuNC, CO, MeCN)","Organometallics","2008","27","16","4207","","10.1021/om8003702","","x-ray","0.71073","MoKα","","0.0497","0.0353","","","0.0787","0.0842","","","","","","0.993","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071771","8.2595","0.0003","10.3127","0.0005","8.5719","0.0004","90","","90.38","0.002","90","","730.12","0.06","99","2","99","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H20 Co Si2 -","- C14 H20 Co Si2 -","- C28 H40 Co2 Si4 -","2","1","","Braunschweig, Holger; Breher, Frank; Kaupp, Martin; Gross, Manuela; Kupfer, Thomas; Nied, Dominik; Radacki, Krzysztof; Schinzel, Sandra","Synthesis, Crystal Structure, EPR and DFT Studies, and Redox Properties of [2]Tetramethyldisilacobaltocenophane","Organometallics","2008","27","24","6427","","10.1021/om8003724","","","0.71073","MoKα","","0.0195","0.018","","","0.0519","0.0626","","","","","","1.197","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071772","13.1738","0.0005","12.7807","0.0004","21.3933","0.0007","90","","90","","90","","3602","0.2","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H20 Co F6 P Si2 -","- C14 H20 Co F6 P Si2 -","- C112 H160 Co8 F48 P8 Si16 -","8","1","","Braunschweig, Holger; Breher, Frank; Kaupp, Martin; Gross, Manuela; Kupfer, Thomas; Nied, Dominik; Radacki, Krzysztof; Schinzel, Sandra","Synthesis, Crystal Structure, EPR and DFT Studies, and Redox Properties of [2]Tetramethyldisilacobaltocenophane","Organometallics","2008","27","24","6427","","10.1021/om8003724","","","0.71073","MoKα","","0.0314","0.0289","","","0.0745","0.0774","","","","","","1.057","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071773","10.096","0.0019","17.894","0.004","22.843","0.005","90","","98.102","0.006","90","","4085.6","1.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H36.25 F3 Mo O6.12 S -","- C44.5 H36.25 F3 Mo O6.125 S -","- C178 H145 F12 Mo4 O24.5 S4 -","4","1","","Namorado, Sónia; Antunes, Maria Augusta; Veiros, Luis F.; Ascenso, José R.; Duarte, M. Teresa; Martins, Ana M.","Ionic Hydrogenation of Ketones with Molybdenum Pentabenzylcyclopentadienyl Hydride Catalysts","Organometallics","2008","27","18","4589","4599","10.1021/om800379z","","x-ray","0.71073","MoKα","","0.0802","0.0563","","","0.1744","0.2068","","","","","","1.093","","","","has coordinates","210316","2020-10-21","18:00:00",""
"4071774","10.071","0.0007","17.884","0.0012","22.796","0.0016","90","","97.901","0.004","90","","4066.8","0.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44.5 H36.25 F3 O6.12 S W -","- C44.5 H36.25 F3 O6.125 S W -","- C178 H145 F12 O24.5 S4 W4 -","4","1","","Namorado, Sónia; Antunes, Maria Augusta; Veiros, Luis F.; Ascenso, José R.; Duarte, M. Teresa; Martins, Ana M.","Ionic Hydrogenation of Ketones with Molybdenum Pentabenzylcyclopentadienyl Hydride Catalysts","Organometallics","2008","27","18","4589","4599","10.1021/om800379z","","neutron","0.71073","MoKα","","0.1126","0.0523","","","0.1296","0.1737","","","","","","1.081","","","","has coordinates","210316","2020-10-21","18:00:00",""
"4071775","12.661","0.005","15.214","0.005","21.71","0.007","83.015","0.018","89.04","0.02","89.57","0.02","4150","3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H41 B F4 Mo O4 -","- C46 H41 B F4 Mo O4 -","- C184 H164 B4 F16 Mo4 O16 -","4","2","","Namorado, Sónia; Antunes, Maria Augusta; Veiros, Luis F.; Ascenso, José R.; Duarte, M. Teresa; Martins, Ana M.","Ionic Hydrogenation of Ketones with Molybdenum Pentabenzylcyclopentadienyl Hydride Catalysts","Organometallics","2008","27","18","4589","4599","10.1021/om800379z","","x-ray","0.71069","MoKα","","0.1707","0.0787","","","0.1825","0.2114","","","","","","0.94","","","","has coordinates","210316","2020-10-21","18:00:00",""
"4071776","26.2642","0.0009","10.1641","0.0003","26.168","0.0009","90","","92.387","0.001","90","","6979.5","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H39 O8.5 P2 Ru Sn -","- C31 H39 O8.5 P2 Ru Sn -","- C248 H312 O68 P16 Ru8 Sn8 -","8","1","","Albertin, Gabriele; Antoniutti, Stefano; Bacchi, Alessia; Pelizzi, Giancarlo; Zanardo, Gianluigi","Synthesis and Reactivity of Trihydridostannyl Complexes of Ruthenium and Osmium","Organometallics","2008","27","17","4407","","10.1021/om800380y","","","0.71073","MoKα","","0.0556","0.03","","","0.0596","0.0644","","","","","","0.878","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071777","9.6522","0.001","16.4234","0.0018","21.222","0.002","90","","94.986","0.002","90","","3351.4","0.6","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31 H41 Br0.18 Cl0.82 O3 P2 Ru Sn -","- C31 H41 Br0.18 Cl0.82 O3 P2 Ru Sn -","- C124 H164 Br0.72 Cl3.28 O12 P8 Ru4 Sn4 -","4","1","","Albertin, Gabriele; Antoniutti, Stefano; Bacchi, Alessia; Pelizzi, Giancarlo; Zanardo, Gianluigi","Synthesis and Reactivity of Trihydridostannyl Complexes of Ruthenium and Osmium","Organometallics","2008","27","17","4407","","10.1021/om800380y","","","0.71073","MoKα","","0.0591","0.0384","","","0.084","0.098","","","","","","1.143","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071778","9.553","0.005","10.856","0.004","11.584","0.004","88.33","0.03","69.67","0.04","66.19","0.04","1022","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N O3 Si -","- C23 H25 N O3 Si -","- C46 H50 N2 O6 Si2 -","2","1","","Barluenga, José; Fañanás-Mastral, Martín; Andina, Facundo; Aznar, Fernando; Valdés, Carlos","Cascade Reactions of Dialkynyl Fischer Carbene Complexes Involving Intramolecular Alkyne Insertions Oriented to the Synthesis of Functionalized Polycycles","Organometallics","2008","27","14","3593","","10.1021/om800381q","","","1.54184","CuKα","","0.0993","0.0519","","","0.126","0.1562","","","","","","0.969","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071779","8.0964","0.0013","8.8792","0.0014","12.731","0.002","86.206","0.003","75.741","0.003","71.116","0.003","839.2","0.2","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H20 O4 -","- C21 H20 O4 -","- C42 H40 O8 -","2","1","","Barluenga, José; Fañanás-Mastral, Martín; Andina, Facundo; Aznar, Fernando; Valdés, Carlos","Cascade Reactions of Dialkynyl Fischer Carbene Complexes Involving Intramolecular Alkyne Insertions Oriented to the Synthesis of Functionalized Polycycles","Organometallics","2008","27","14","3593","","10.1021/om800381q","","","0.71073","MoKα","","0.0546","0.0441","","","0.1151","0.1236","","","","","","1.044","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071780","11.281","0.003","12.104","0.002","13.133","0.003","89.331","0.015","76.72","0.02","75.78","0.019","1689.9","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H33 Cl8 P Pt -","- C29 H33 Cl8 P Pt -","- C58 H66 Cl16 P2 Pt2 -","2","1","","Baber, Angharad; Fan, Cheng; Norman, David W.; Orpen, A. Guy; Pringle, Paul G.; Wingad, Richard L.","Oxidative Dehydrogenation of Tris(o-isopropylphenyl)phosphines by Platinum Complexes","Organometallics","2008","27","22","5906","","10.1021/om800382m","","","0.71073","MoKα","","0.0675","0.0422","","","0.0745","0.0819","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071781","13.348","0.003","15.743","0.003","15.33","0.003","90","","109.57","0.03","90","","3035.3","1.2","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H35 Cl4 O3 P Pt -","- C30 H35 Cl4 O3 P Pt -","- C120 H140 Cl16 O12 P4 Pt4 -","4","1","","Baber, Angharad; Fan, Cheng; Norman, David W.; Orpen, A. Guy; Pringle, Paul G.; Wingad, Richard L.","Oxidative Dehydrogenation of Tris(o-isopropylphenyl)phosphines by Platinum Complexes","Organometallics","2008","27","22","5906","","10.1021/om800382m","","x-ray","0.71074","MoKα","","0.1131","0.0951","","","0.1837","0.1924","","","","","","1.274","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071782","9.7773","0.0015","11.3376","0.0017","11.7186","0.0018","77.63","0.006","65.729","0.005","88.019","0.006","1154.6","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H41 N O W -","- C26 H41 N O W -","- C52 H82 N2 O2 W2 -","2","1","","Buschhaus, Miriam S. A.; Pamplin, Craig B.; Blackmore, Ian J.; Legzdins, Peter","Transformations of Cyclic Olefins Mediated by Tungsten Nitrosyl Complexes","Organometallics","2008","27","18","4724","","10.1021/om800384z","","","0.71073","MoKα","","0.1159","0.0677","","","0.1514","0.1773","","","","","","1.044","","","","has coordinates,has disorder","178606","2020-10-21","18:00:00",""
"4071783","14.605","0.0005","8.6048","0.0003","20.1135","0.0007","90","","108.781","0.001","90","","2393.14","0.14","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C26 H41 N O W -","- C26 H40 N O W -","- C104 H160 N4 O4 W4 -","4","1","","Buschhaus, Miriam S. A.; Pamplin, Craig B.; Blackmore, Ian J.; Legzdins, Peter","Transformations of Cyclic Olefins Mediated by Tungsten Nitrosyl Complexes","Organometallics","2008","27","18","4724","","10.1021/om800384z","","","0.71073","MoKα","","0.0495","0.0352","","","0.0821","0.0864","","","","","","1.054","","","","has coordinates,has disorder","178606","2020-10-21","18:00:00",""
"4071784","16.821","0.0007","12.6397","0.0005","9.6412","0.0004","90","","90","","90","","2049.84","0.15","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H31 N O W -","- C24 H31 N O W -","- C96 H124 N4 O4 W4 -","4","1","","Buschhaus, Miriam S. A.; Pamplin, Craig B.; Blackmore, Ian J.; Legzdins, Peter","Transformations of Cyclic Olefins Mediated by Tungsten Nitrosyl Complexes","Organometallics","2008","27","18","4724","","10.1021/om800384z","","","0.71073","MoKα","","0.0222","0.0178","","","0.0373","0.0386","","","","","","1.035","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071785","8.1917","0.0006","9.7406","0.0009","13.6903","0.0013","73.624","0.003","89.272","0.003","65.724","0.003","948.71","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H31 N O W -","- C22 H31 N O W -","- C44 H62 N2 O2 W2 -","2","1","","Buschhaus, Miriam S. A.; Pamplin, Craig B.; Blackmore, Ian J.; Legzdins, Peter","Transformations of Cyclic Olefins Mediated by Tungsten Nitrosyl Complexes","Organometallics","2008","27","18","4724","","10.1021/om800384z","","","0.71073","MoKα","","0.0185","0.0152","","","0.033","0.0335","","","","","","1.065","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071786","9.6227","0.0005","15.1915","0.0007","17.7393","0.0008","75.2","0.001","75.721","0.001","89.312","0.001","2426.1","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 O8 Ru2 Sn -","- C20 H12 O8 Ru2 Sn -","- C80 H48 O32 Ru8 Sn4 -","4","2","","Adams, Richard D.; Trufan, Eszter","Diruthenium−Tin Complexes from the Reaction of Ph2SnH2with Ru(CO)5and Their Reactions with Bis(tri-tert-butylphosphine)platinum","Organometallics","2008","27","16","4108","","10.1021/om800385w","","","0.71073","MoKα","","0.0585","0.0424","","","0.1104","0.1254","","","","","","1.058","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071787","8.2765","0.0004","9.317","0.0005","16.1426","0.0009","87.377","0.001","75.261","0.001","72.544","0.001","1147.76","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H10 O8 Ru2 Sn -","- C20 H10 O8 Ru2 Sn -","- C40 H20 O16 Ru4 Sn2 -","2","1","","Adams, Richard D.; Trufan, Eszter","Diruthenium−Tin Complexes from the Reaction of Ph2SnH2with Ru(CO)5and Their Reactions with Bis(tri-tert-butylphosphine)platinum","Organometallics","2008","27","16","4108","","10.1021/om800385w","","","0.71073","MoKα","","0.0344","0.0276","","","0.0875","0.0909","","","","","","1.207","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4071788","16.9915","0.0005","11.7343","0.0003","19.2385","0.0006","90","","99.409","0.001","90","","3784.23","0.19","294","2","294","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C31.25 H39.5 Cl0.5 O7 P Pt Ru2 Sn -","- C31.25 H39.5 Cl0.5 O7 P Pt Ru2 Sn -","- C125 H158 Cl2 O28 P4 Pt4 Ru8 Sn4 -","4","1","","Adams, Richard D.; Trufan, Eszter","Diruthenium−Tin Complexes from the Reaction of Ph2SnH2with Ru(CO)5and Their Reactions with Bis(tri-tert-butylphosphine)platinum","Organometallics","2008","27","16","4108","","10.1021/om800385w","","","0.71073","MoKα","","0.0534","0.0376","","","0.0877","0.1014","","","","","","1.079","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071789","13.8149","0.0006","15.2333","0.0007","17.0571","0.0008","65.136","0.001","84.937","0.001","70.122","0.001","3056.5","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H91 O8 P2 Pt2 Ru2 Sn -","- C56 H64 O8 P2 Pt2 Ru2 Sn -","- C112 H128 O16 P4 Pt4 Ru4 Sn2 -","2","1","","Adams, Richard D.; Trufan, Eszter","Diruthenium−Tin Complexes from the Reaction of Ph2SnH2with Ru(CO)5and Their Reactions with Bis(tri-tert-butylphosphine)platinum","Organometallics","2008","27","16","4108","","10.1021/om800385w","","","0.71073","MoKα","","0.0364","0.0307","","","0.0768","0.08","","","","","","1.038","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071790","16.8668","0.0007","14.1879","0.0005","20.5803","0.0008","90","","103.103","0.0011","90","","4796.7","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H71 B Os3 -","- C54 H65 B Os3 -","- C216 H260 B4 Os12 -","4","1","","Kameo, Hajime; Suzuki, Hiroharu","Synthesis of Trinuclear Osmium Polyhydrido Clusters [{(C5Me5)Os}3(μ-H)6]+and {(C5Me5)Os}3(μ-H)3(μ3-H)2and Comparison with the Ruthenium Analogues","Organometallics","2008","27","16","4248","","10.1021/om8003866","","","0.71069","MoKα","","0.0364","0.0309","","","0.0762","0.0791","","","","","","1.032","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071791","11.0085","0.001","11.0311","0.0006","15.1064","0.0007","71.327","0.002","73.298","0.004","60.641","0.004","1495.67","0.18","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H50 Os3 -","- C30 H45 Os3 -","- C60 H90 Os6 -","2","1","","Kameo, Hajime; Suzuki, Hiroharu","Synthesis of Trinuclear Osmium Polyhydrido Clusters [{(C5Me5)Os}3(μ-H)6]+and {(C5Me5)Os}3(μ-H)3(μ3-H)2and Comparison with the Ruthenium Analogues","Organometallics","2008","27","16","4248","","10.1021/om8003866","","","0.71069","MoKα","","0.0429","0.0398","","","0.0968","0.0997","","","","","","1.049","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071792","11.9115","0.0003","19.3856","0.0003","15.7925","0.0003","90","","92.116","0.001","90","","3644.18","0.13","120","1","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H42 Cl Fe N P2 -","- C43 H42 Cl Fe N P2 -","- C172 H168 Cl4 Fe4 N4 P8 -","4","1","","Justaud, Frédéric; Argouarch, Gilles; Ghazala, Safaa Ibn; Toupet, Loic; Paul, Frédéric; Lapinte, Claude","Novel Straightforward Access to a 2,2′-Bipyridine Ligand Bearing Two “(η2-dppe)(η5-C5Me5)FeCC−” Redox-Active Substituents by Homocoupling of Mononuclear Organoiron(II) 2-Bromopyridyl Synthons","Organometallics","2008","27","16","4260","","10.1021/om800388j","","","0.71069","MoKα","","0.0692","0.0512","","","0.1304","0.1452","","","","","","1.075","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071793","12.0166","0.0005","19.3821","0.0008","16.1491","0.0007","90","","92.543","0.003","90","","3757.5","0.3","295","1","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H42 Br Fe N P2 -","- C43 H42 Br Fe N P2 -","- C172 H168 Br4 Fe4 N4 P8 -","4","1","","Justaud, Frédéric; Argouarch, Gilles; Ghazala, Safaa Ibn; Toupet, Loic; Paul, Frédéric; Lapinte, Claude","Novel Straightforward Access to a 2,2′-Bipyridine Ligand Bearing Two “(η2-dppe)(η5-C5Me5)FeCC−” Redox-Active Substituents by Homocoupling of Mononuclear Organoiron(II) 2-Bromopyridyl Synthons","Organometallics","2008","27","16","4260","","10.1021/om800388j","","","0.71069","MoKα","","0.061","0.0312","","","0.0702","0.0734","","","","","","0.909","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071794","8.556","0.003","25.215","0.008","17.964","0.006","90","","97.518","0.008","90","","3842","2","193.1","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H11 N S -","- C17 H11 N S -","- C204 H132 N12 S12 -","12","3","","Shibue, Mayuko; Hirotsu, Masakazu; Nishioka, Takanori; Kinoshita, Isamu","Ruthenium and Rhodium Complexes with Thiolate-Containing Pincer Ligands Produced by C−S Bond Cleavage of Pyridyl-Substituted Dibenzothiophenes","Organometallics","2008","27","17","4475","","10.1021/om8003916","","","0.7107","MoKα","","","0.0564","","","","0.0651","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071795","8.805","0.003","9.666","0.004","10.32","0.004","105.377","0.009","91.151","0.004","109.159","0.008","794.4","0.5","193.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H22 N2 O4 Ru2 S2 -","- C38 H22 N2 O4 Ru2 S2 -","- C38 H22 N2 O4 Ru2 S2 -","1","0.5","","Shibue, Mayuko; Hirotsu, Masakazu; Nishioka, Takanori; Kinoshita, Isamu","Ruthenium and Rhodium Complexes with Thiolate-Containing Pincer Ligands Produced by C−S Bond Cleavage of Pyridyl-Substituted Dibenzothiophenes","Organometallics","2008","27","17","4475","","10.1021/om8003916","","","0.7107","MoKα","","","0.0308","","","","0.0785","","","","","","1.023","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071796","13.914","0.003","14.785","0.003","15.399","0.003","90","","93.228","0.005","90","","3162.8","1.1","193.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H22 N2 O4 Ru2 S2 -","- C38 H22 N2 O4 Ru2 S2 -","- C152 H88 N8 O16 Ru8 S8 -","4","0.5","","Shibue, Mayuko; Hirotsu, Masakazu; Nishioka, Takanori; Kinoshita, Isamu","Ruthenium and Rhodium Complexes with Thiolate-Containing Pincer Ligands Produced by C−S Bond Cleavage of Pyridyl-Substituted Dibenzothiophenes","Organometallics","2008","27","17","4475","","10.1021/om8003916","","","0.7107","MoKα","","","0.028","","","","0.0568","","","","","","1","","","","has coordinates","178606","2020-10-21","18:00:00",""
"4071797","10.3493","0.0015","11.1995","0.0019","16.002","0.002","110.508","0.003","90.724","0.0016","107.414","0.003","1643.2","0.4","193.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C40 H26 N2 O4 Ru2 S2 -","- C40 H26 N2 O4 Ru2 S2 -","- C80 H52 N4 O8 Ru4 S4 -","2","1","","Shibue, Mayuko; Hirotsu, Masakazu; Nishioka, Takanori; Kinoshita, Isamu","Ruthenium and Rhodium Complexes with Thiolate-Containing Pincer Ligands Produced by C−S Bond Cleavage of Pyridyl-Substituted Dibenzothiophenes","Organometallics","2008","27","17","4475","","10.1021/om8003916","","","0.7107","MoKα","","","0.028","","","","0.081","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071798","13.923","0.002","14.058","0.003","15.425","0.003","106.098","0.002","95.814","0.002","114.678","0.003","2553","0.8","193.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C24.5 H17.5 Cl2.5 F3 N O3 Ru S2 -","- C24.5 H17.5 Cl2.5 F3 N O3 Ru S2 -","- C98 H70 Cl10 F12 N4 O12 Ru4 S8 -","4","2","","Shibue, Mayuko; Hirotsu, Masakazu; Nishioka, Takanori; Kinoshita, Isamu","Ruthenium and Rhodium Complexes with Thiolate-Containing Pincer Ligands Produced by C−S Bond Cleavage of Pyridyl-Substituted Dibenzothiophenes","Organometallics","2008","27","17","4475","","10.1021/om8003916","","","0.7107","MoKα","","","0.043","","","","0.1003","","","","","","1.073","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071799","12.494","0.004","11.358","0.003","13.889","0.005","90","","116.917","0.006","90","","1757.4","1","193.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 Cl N O2 Rh S -","- C19 H11 Cl N O2 Rh S -","- C76 H44 Cl4 N4 O8 Rh4 S4 -","4","1","","Shibue, Mayuko; Hirotsu, Masakazu; Nishioka, Takanori; Kinoshita, Isamu","Ruthenium and Rhodium Complexes with Thiolate-Containing Pincer Ligands Produced by C−S Bond Cleavage of Pyridyl-Substituted Dibenzothiophenes","Organometallics","2008","27","17","4475","","10.1021/om8003916","","","0.7107","MoKα","","","0.0544","","","","0.0909","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071800","10.4989","0.0011","15.479","0.002","15.746","0.002","77.245","0.014","70.566","0.013","70.183","0.013","2253.3","0.5","193.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H30 Cl4 N2 O4 Rh4 S2 -","- C45 H29 Cl4 N2 O4 Rh4 S2 -","- C90 H58 Cl8 N4 O8 Rh8 S4 -","2","1","","Shibue, Mayuko; Hirotsu, Masakazu; Nishioka, Takanori; Kinoshita, Isamu","Ruthenium and Rhodium Complexes with Thiolate-Containing Pincer Ligands Produced by C−S Bond Cleavage of Pyridyl-Substituted Dibenzothiophenes","Organometallics","2008","27","17","4475","","10.1021/om8003916","","","0.7107","MoKα","","","0.0568","","","","0.1202","","","","","","1.005","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071801","15.5087","0.0019","18.651","0.002","16.2663","0.0019","90","","106.993","0.002","90","","4499.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H49 Cl2 N4 Rh -","- C55 H49 Cl2 N4 Rh -","- C220 H196 Cl8 N16 Rh4 -","4","1","","Chan, Yun Wai; Chan, Kin Shing","Base-Promoted Carbon−Hydrogen Bond Activation of Alkanes with Rhodium(III) Porphyrin Complexes","Organometallics","2008","27","18","4625","","10.1021/om800397p","","","0.71073","MoKα","","0.0945","0.0572","","","0.1511","0.1784","","","","","","1.025","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071802","15.579","0.002","18.482","0.002","16.155","0.002","90","","107.516","0.002","90","","4435.8","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C55 H51 N4 O Rh -","- C55 H51 N4 O Rh -","- C220 H204 N16 O4 Rh4 -","4","1","","Chan, Yun Wai; Chan, Kin Shing","Base-Promoted Carbon−Hydrogen Bond Activation of Alkanes with Rhodium(III) Porphyrin Complexes","Organometallics","2008","27","18","4625","","10.1021/om800397p","","","0.71073","MoKα","","0.1032","0.0677","","","0.1861","0.2249","","","","","","1.069","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071803","10.578","0.002","14.574","0.003","16.226","0.004","65.745","0.004","77.764","0.004","82.348","0.004","2225.9","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H51 N4 Rh -","- C56 H43 N4 Rh -","- C112 H86 N8 Rh2 -","2","1","","Chan, Yun Wai; Chan, Kin Shing","Base-Promoted Carbon−Hydrogen Bond Activation of Alkanes with Rhodium(III) Porphyrin Complexes","Organometallics","2008","27","18","4625","","10.1021/om800397p","","","0.71073","MoKα","","0.0616","0.0449","","","0.1124","0.1245","","","","","","1.036","","","","has coordinates,has disorder","178607","2020-10-21","18:00:00",""
"4071804","14.649","0.005","14.395","0.003","11.144","0.008","90","","107.51","0.04","90","","2241.1","1.9","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 Cl7 Cr N5 -","- C14.996 H17 Cl7 Cr N5 -","- C59.984 H68 Cl28 Cr4 N20 -","4","0.5","","McGuinness, David S.; Suttil, James A.; Gardiner, Michael G.; Davies, Noel W.","Ethylene Oligomerization with Cr−NHC Catalysts: Further Insights into the Extended Metallacycle Mechanism of Chain Growth","Organometallics","2008","27","16","4238","","10.1021/om800398e","","","0.71073","MoKα","","0.0432","0.0339","","","0.0881","0.0938","","","","","","1.094","","","","has coordinates,has disorder","178607","2020-10-21","18:00:00",""
"4071805","10.1001","0.0007","14.4739","0.0009","15.7609","0.0011","77.574","0.001","80.248","0.001","76.378","0.001","2169.6","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H51 Fe2 P2 Si -","- C51 H51 Fe2 P2 Si -","- C102 H102 Fe4 P4 Si2 -","2","1","","Kumar, Mukesh; Cervantes-Lee, Francisco; Pannell, Keith H.; Shao, Jianguo","Synthesis and cyclic voltammetric studies of diiron complexes, ER(2)[(eta-C(5)H(4))Fe(L(2))Me](2) (E = C, Si, Ge, Sn; R = H, alkyl; L(2) = diphosphine] and (eta-C(5)H(5))Fe(L(2))ER(2)Fc [Fc = (eta-C(5)H(4))Fe(eta-C(5)H(5))].","Organometallics","2008","27","18","4739","4748","10.1021/om8004004","","","0.71073","MoKα","","0.0557","0.0486","","","0.1068","0.1112","","","","","","1.047","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071806","12.3242","0.0012","12.3981","0.0012","19.511","0.0019","90","","98.403","0.002","90","","2949.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Fe P2 Si -","- C33 H36 Fe P2 Si -","- C132 H144 Fe4 P8 Si4 -","4","1","","Kumar, Mukesh; Cervantes-Lee, Francisco; Pannell, Keith H.; Shao, Jianguo","Synthesis and cyclic voltammetric studies of diiron complexes, ER(2)[(eta-C(5)H(4))Fe(L(2))Me](2) (E = C, Si, Ge, Sn; R = H, alkyl; L(2) = diphosphine] and (eta-C(5)H(5))Fe(L(2))ER(2)Fc [Fc = (eta-C(5)H(4))Fe(eta-C(5)H(5))].","Organometallics","2008","27","18","4739","4748","10.1021/om8004004","","","0.71073","MoKα","","0.0769","0.0682","","","0.1586","0.1643","","","","","","1.155","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071807","15.371","0.002","24.095","0.002","17.319","0.002","90","0.02","106.67","0.02","90","0.03","6144.8","1.3","95","2","95","2","","","","","","","CH3C6H5/CH2Cl2/C6H14","7","P 1 21/n 1","-P 2yn","14","","","","- C64 H40 B F24 Mo O2 P -","- C64 H32 B F24 Mo O2 P -","- C256 H128 B4 F96 Mo4 O8 P4 -","4","1","","Cheng, Tan-Yun; Szalda, David J.; Hanson, Jonathan C.; Muckerman, James T.; Bullock, R. Morris","Four-Electron-Donor Hemilabile η3-PPh3Ligand that Binds through a CC Bond Rather than an Agostic C−H Interaction, and Displacement of the CC by Methyl Iodide or Water","Organometallics","2008","27","15","3785","","10.1021/om800401d","","","1.1","x-rays","","0.0981","0.0738","","0.2097","0.1899","","","","1.016","1.078","1.078","","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071808","12.421","0.002","13.151","0.002","18.319","0.005","96.53","0.02","96.34","0.02","90.11","0.02","2954.5","1.1","293","2","293","2","","","","","","","CH3C6H5/CH2Cl2/C6H14","8","P -1","-P 1","2","","","","- C58 H35 B F24 I Mo O2 P -","- C58 H32 B F24 I Mo O2 P -","- C116 H64 B2 F48 I2 Mo2 O4 P2 -","2","1","","Cheng, Tan-Yun; Szalda, David J.; Hanson, Jonathan C.; Muckerman, James T.; Bullock, R. Morris","Four-Electron-Donor Hemilabile η3-PPh3Ligand that Binds through a CC Bond Rather than an Agostic C−H Interaction, and Displacement of the CC by Methyl Iodide or Water","Organometallics","2008","27","15","3785","","10.1021/om800401d","","","0.71073","MoKα","","0.2345","0.0609","","0.1981","0.1377","","","","0.999","1.181","1.181","","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071809","13.792","0.004","15.032","0.006","16.414","0.007","69.08","0.02","72.55","0.01","82.62","0.02","3031","2","95","2","95","2","","","","","","","CH3C6H5/CH2Cl2/C6H14","7","P -1","-P 1","2","","","","- C64 H42 B F24 Mo O3 P -","- C64 H40 B F24 Mo O3 P -","- C128 H80 B2 F48 Mo2 O6 P2 -","2","1","","Cheng, Tan-Yun; Szalda, David J.; Hanson, Jonathan C.; Muckerman, James T.; Bullock, R. Morris","Four-Electron-Donor Hemilabile η3-PPh3Ligand that Binds through a CC Bond Rather than an Agostic C−H Interaction, and Displacement of the CC by Methyl Iodide or Water","Organometallics","2008","27","15","3785","","10.1021/om800401d","","","1.008","synchrotron","","0.0863","0.0689","","0.2409","0.2088","","","","1.112","1.174","1.174","","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071810","13.16","0.0008","8.4206","0.0005","19.586","0.0012","90","","105.452","0.001","90","","2092","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H36 Ir O2 P -","- C21 H36 Ir O2 P -","- C84 H144 Ir4 O8 P4 -","4","1","","Jiménez, M. Victoria; Rangel-Salas, I. Idalia; Lahoz, Fernando J.; Oro, Luis A.","C−C Formation and C−O Cleavage Reactions on Hemilabile Arene−Phosphine Ligands in Route to η5-Cyclohexadienyl Iridium Compounds§","Organometallics","2008","27","16","4229","","10.1021/om800402n","","","0.71073","MoKα","","0.035","0.0301","","","0.0684","0.0706","","","","","","1.048","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071811","7.9252","0.0006","29.893","0.002","9.7153","0.0007","90","","102.441","0.001","90","","2247.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 Ir O2 P -","- C24 H36 Ir O2 P -","- C96 H144 Ir4 O8 P4 -","4","1","","Jiménez, M. Victoria; Rangel-Salas, I. Idalia; Lahoz, Fernando J.; Oro, Luis A.","C−C Formation and C−O Cleavage Reactions on Hemilabile Arene−Phosphine Ligands in Route to η5-Cyclohexadienyl Iridium Compounds§","Organometallics","2008","27","16","4229","","10.1021/om800402n","","","0.71073","MoKα","","0.0212","0.019","","","0.043","0.0437","","","","","","1.1","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071812","16.9605","0.0013","7.6043","0.0012","22.6425","0.0015","90","","92.823","0.011","90","","2916.7","0.5","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 N4 O2 Pt S -","- C30 H34 N4 O2 Pt S -","- C120 H136 N16 O8 Pt4 S4 -","4","1","","Moret, Marc-Etienne; Chen, Peter","Mononuclear Organometallic Platinum(II) Complexes and Platinum(II)−Copper(I) Mixed Complexes from Symmetrical 3,5-Bis(iminoacetyl)pyrazolate Ligands","Organometallics","2008","27","19","4903","","10.1021/om800403y","","","0.7107","MoKα","","0.0538","0.0433","","","0.1083","0.1171","","","","","","1.018","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071813","7.8393","0.0014","13.7453","0.0017","14.55","0.0017","94.905","0.012","97.696","0.012","97.36","0.013","1532.5","0.4","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H38 N4 Pt S -","- C32 H38 N4 Pt S -","- C64 H76 N8 Pt2 S2 -","2","1","","Moret, Marc-Etienne; Chen, Peter","Mononuclear Organometallic Platinum(II) Complexes and Platinum(II)−Copper(I) Mixed Complexes from Symmetrical 3,5-Bis(iminoacetyl)pyrazolate Ligands","Organometallics","2008","27","19","4903","","10.1021/om800403y","","","0.7107","MoKα","","0.0599","0.0501","","","0.1182","0.1244","","","","","","1.095","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071814","24.8131","0.0013","15.2421","0.0012","17.6737","0.0015","90","","96.919","0.013","90","","6635.6","0.9","220","2","220","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C66 H74 Cl2 Cu2 N8 O4 Pt2 S2 -","- C66 H74 Cl2 Cu2 N8 O4 Pt2 S2 -","- C264 H296 Cl8 Cu8 N32 O16 Pt8 S8 -","4","1","","Moret, Marc-Etienne; Chen, Peter","Mononuclear Organometallic Platinum(II) Complexes and Platinum(II)−Copper(I) Mixed Complexes from Symmetrical 3,5-Bis(iminoacetyl)pyrazolate Ligands","Organometallics","2008","27","19","4903","","10.1021/om800403y","","","0.7107","MoKα","","0.1106","0.0704","","","0.1623","0.1901","","","","","","1.08","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071815","12.5793","0.0012","9.2999","0.0011","28.4841","0.0015","90","","92.192","0.011","90","","3329.8","0.5","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H37 K N4 Pt -","- C36 H37 K N4 Pt -","- C144 H148 K4 N16 Pt4 -","4","1","","Moret, Marc-Etienne; Chen, Peter","Mononuclear Organometallic Platinum(II) Complexes and Platinum(II)−Copper(I) Mixed Complexes from Symmetrical 3,5-Bis(iminoacetyl)pyrazolate Ligands","Organometallics","2008","27","19","4903","","10.1021/om800403y","","","0.7107","MoKα","","0.0537","0.0412","","","0.1098","0.1195","","","","","","1.036","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071816","12.5439","0.0012","12.631","0.0012","14.1299","0.0013","69.921","0.012","85.038","0.011","89.992","0.01","2093.8","0.4","220","2","220","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H49 Cu N8 Pt -","- C44 H49 Cu N8 Pt -","- C88 H98 Cu2 N16 Pt2 -","2","1","","Moret, Marc-Etienne; Chen, Peter","Mononuclear Organometallic Platinum(II) Complexes and Platinum(II)−Copper(I) Mixed Complexes from Symmetrical 3,5-Bis(iminoacetyl)pyrazolate Ligands","Organometallics","2008","27","19","4903","","10.1021/om800403y","","","0.7107","MoKα","","0.0505","0.0436","","","0.109","0.1134","","","","","","1.034","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071817","11.3102","0.0012","16.5428","0.0013","18.7782","0.0013","112.169","0.011","95.433","0.01","108.142","0.011","3000.8","0.6","220","2","220","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H66 Cu2 N8 O4 Pt2 -","- C68 H66 Cu2 N8 O4 Pt2 -","- C136 H132 Cu4 N16 O8 Pt4 -","2","1","","Moret, Marc-Etienne; Chen, Peter","Mononuclear Organometallic Platinum(II) Complexes and Platinum(II)−Copper(I) Mixed Complexes from Symmetrical 3,5-Bis(iminoacetyl)pyrazolate Ligands","Organometallics","2008","27","19","4903","","10.1021/om800403y","","","0.7107","MoKα","","0.0724","0.0543","","","0.1365","0.1495","","","","","","1.026","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071818","19.7025","0.0013","13.3495","0.0012","28.314","0.002","90","","108.05","0.011","90","","7080.6","1","220","2","220","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C78 H86 Cu2 N8 O3 Pt2 -","- C78 H86 Cu2 N8 O3 Pt2 -","- C312 H344 Cu8 N32 O12 Pt8 -","4","1","","Moret, Marc-Etienne; Chen, Peter","Mononuclear Organometallic Platinum(II) Complexes and Platinum(II)−Copper(I) Mixed Complexes from Symmetrical 3,5-Bis(iminoacetyl)pyrazolate Ligands","Organometallics","2008","27","19","4903","","10.1021/om800403y","","","0.7107","MoKα","","0.0648","0.0419","","","0.0952","0.1071","","","","","","0.987","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071819","17.9389","0.0006","15.8145","0.0007","18.7496","0.0005","90","","117.49","0.002","90","","4718.6","0.3","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H54 F6 N6 P Rh -","- C52 H54 F6 N6 P Rh -","- C208 H216 F24 N24 P4 Rh4 -","4","1","","Peng, Hong Mei; Webster, Richard D.; Li, Xingwei","Quinoline-Tethered N-Heterocyclic Carbene Complexes of Rhodium and Iridium: Synthesis, Catalysis, and Electrochemical Properties","Organometallics","2008","27","17","4484","","10.1021/om800404q","","","0.71073","MoKα","","0.0848","0.0664","","","0.175","0.1974","","","","","","1.027","","","","has coordinates,has disorder","178607","2020-10-21","18:00:00",""
"4071820","8.6792","0.0004","14.4528","0.0006","14.4654","0.0006","110.965","0.001","95.119","0.001","92.42","0.001","1682.27","0.13","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C32.5 H37 Cl2 F6 Ir N3 P -","- C32.5 H37 Cl2 F6 Ir N3 P -","- C65 H74 Cl4 F12 Ir2 N6 P2 -","2","1","","Peng, Hong Mei; Webster, Richard D.; Li, Xingwei","Quinoline-Tethered N-Heterocyclic Carbene Complexes of Rhodium and Iridium: Synthesis, Catalysis, and Electrochemical Properties","Organometallics","2008","27","17","4484","","10.1021/om800404q","","","0.71073","MoKα","","0.0406","0.037","","","0.1053","0.107","","","","","","1.101","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071821","11.2937","0.0003","27.1335","0.0008","11.4634","0.0003","90","","105.052","0.001","90","","3392.29","0.16","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 F6 N3 O P Rh -","- C34 H43 F6 N3 O P Rh -","- C136 H172 F24 N12 O4 P4 Rh4 -","4","1","","Peng, Hong Mei; Webster, Richard D.; Li, Xingwei","Quinoline-Tethered N-Heterocyclic Carbene Complexes of Rhodium and Iridium: Synthesis, Catalysis, and Electrochemical Properties","Organometallics","2008","27","17","4484","","10.1021/om800404q","","","0.71073","MoKα","","0.0487","0.0361","","","0.09","0.1024","","","","","","1.068","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071822","13.4672","0.0016","20.206","0.002","14.0769","0.0017","90","","91.367","0.002","90","","3829.5","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C72 H106 K2 N4 O4 Zn2 -","- C72 H106 K2 N4 O4 Zn2 -","- C144 H212 K4 N8 O8 Zn4 -","2","0.5","","Yu, Jie; Yang, Xiao-Juan; Liu, Yanyan; Pu, Zhifeng; Li, Qian-Shu; Xie, Yaoming; Schaefer, Henry F.; Wu, Biao","Dinuclear versus Mononuclear Zinc Compounds from Reduction of LZnCl2(L = α-Diimine Ligands): Effects of the Ligand Substituent, Reducing Agent, and Solvent","Organometallics","2008","27","22","5800","","10.1021/om800405m","","","0.71073","MoKα","","0.1326","0.0569","","","0.155","0.1951","","","","","","0.989","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071823","11.5189","0.0005","23.1977","0.0009","18.0425","0.0007","90","","96.279","0.002","90","","4792.3","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H68 N4 Na2 O2 Zn -","- C48 H68 N4 Na2 O2 Zn -","- C192 H272 N16 Na8 O8 Zn4 -","4","1","","Yu, Jie; Yang, Xiao-Juan; Liu, Yanyan; Pu, Zhifeng; Li, Qian-Shu; Xie, Yaoming; Schaefer, Henry F.; Wu, Biao","Dinuclear versus Mononuclear Zinc Compounds from Reduction of LZnCl2(L = α-Diimine Ligands): Effects of the Ligand Substituent, Reducing Agent, and Solvent","Organometallics","2008","27","22","5800","","10.1021/om800405m","","","0.71073","MoKα","","0.1383","0.059","","","0.1439","0.1826","","","","","","0.964","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071824","24.712","0.009","12.745","0.004","19.001","0.006","90","","117.492","0.005","90","","5309","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H80 N4 Na2 O2 Zn -","- C56 H80 N4 Na2 O2 Zn -","- C224 H320 N16 Na8 O8 Zn4 -","4","0.5","","Yu, Jie; Yang, Xiao-Juan; Liu, Yanyan; Pu, Zhifeng; Li, Qian-Shu; Xie, Yaoming; Schaefer, Henry F.; Wu, Biao","Dinuclear versus Mononuclear Zinc Compounds from Reduction of LZnCl2(L = α-Diimine Ligands): Effects of the Ligand Substituent, Reducing Agent, and Solvent","Organometallics","2008","27","22","5800","","10.1021/om800405m","","","0.71073","MoKα","","0.1759","0.0909","","","0.2516","0.2984","","","","","","1.007","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071825","16.507","0.003","13.602","0.003","19.924","0.004","90","","101.92","0.03","90","","4377","1.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H64 K2 N4 Zn -","- C48 H64 K2 N4 Zn -","- C192 H256 K8 N16 Zn4 -","4","0.5","","Yu, Jie; Yang, Xiao-Juan; Liu, Yanyan; Pu, Zhifeng; Li, Qian-Shu; Xie, Yaoming; Schaefer, Henry F.; Wu, Biao","Dinuclear versus Mononuclear Zinc Compounds from Reduction of LZnCl2(L = α-Diimine Ligands): Effects of the Ligand Substituent, Reducing Agent, and Solvent","Organometallics","2008","27","22","5800","","10.1021/om800405m","","","0.71073","MoKα","","0.2626","0.0912","","","0.2052","0.2698","","","","","","0.819","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071826","9.2623","0.0007","17.5775","0.0011","16.578","0.0013","90","","103.317","0.002","90","","2626.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H42 Fe O5 P4 -","- C18 H42 Fe O5 P4 -","- C72 H168 Fe4 O20 P16 -","4","1","","Allen, Olivia R.; Dalgarno, Scott J.; Field, Leslie D.","Reductive Disproportionation of Carbon Dioxide at an Iron(II) Center","Organometallics","2008","27","14","3328","","10.1021/om800408w","","","0.71073","MoKα","","0.0595","0.0417","","","0.1123","0.1299","","","","","","0.932","","","","has coordinates,has disorder","178607","2020-10-21","18:00:00",""
"4071827","9.5465","0.0002","19.3372","0.0003","17.5203","0.0003","90","","104.265","0.002","90","","3134.57","0.1","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30.33 H33.67 Cl4.67 P Ru2 -","- C30.33 H33.66 Cl4.66 P Ru2 -","- C121.32 H134.64 Cl18.64 P4 Ru8 -","4","1","","Wolf, Joffrey; Thommes, Katrin; Briel, Oliver; Scopelliti, Rosario; Severin, Kay","Dinuclear Ruthenium Ethylene Complexes: Syntheses, Structures, and Catalytic Applications in ATRA and ATRC Reactions","Organometallics","2008","27","17","4464","","10.1021/om8004096","","","0.71073","MoKα","","0.0397","0.0248","","","0.0494","0.0563","","","","","","1.048","","","","has coordinates,has disorder","178607","2020-10-21","18:00:00",""
"4071828","12.757","0.0003","15.4559","0.0003","13.4577","0.0003","90","","92.309","0.002","90","","2651.31","0.1","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H38 Cl5 P Ru -","- C23 H38 Cl5 P Ru -","- C92 H152 Cl20 P4 Ru4 -","4","1","","Wolf, Joffrey; Thommes, Katrin; Briel, Oliver; Scopelliti, Rosario; Severin, Kay","Dinuclear Ruthenium Ethylene Complexes: Syntheses, Structures, and Catalytic Applications in ATRA and ATRC Reactions","Organometallics","2008","27","17","4464","","10.1021/om8004096","","","0.71073","MoKα","","0.054","0.0306","","","0.0548","0.0615","","","","","","1.036","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071829","16.7222","0.0003","14.4243","0.0004","22.8272","0.0004","90","","90","","90","","5506.1","0.2","140","2","140","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H47 Cl2 P Ru -","- C27 H47 Cl2 P Ru -","- C216 H376 Cl16 P8 Ru8 -","8","1","","Wolf, Joffrey; Thommes, Katrin; Briel, Oliver; Scopelliti, Rosario; Severin, Kay","Dinuclear Ruthenium Ethylene Complexes: Syntheses, Structures, and Catalytic Applications in ATRA and ATRC Reactions","Organometallics","2008","27","17","4464","","10.1021/om8004096","","","0.71073","MoKα","","0.0412","0.0274","","","0.0625","0.0717","","","","","","1.057","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071830","17.4584","0.0005","18.8627","0.0005","10.8896","0.0003","90","","102.752","0.003","90","","3497.63","0.17","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29.4 H51.8 Cl6.3 P Ru2 -","- C29.4 H51.8 Cl6.3 P Ru2 -","- C117.6 H207.2 Cl25.2 P4 Ru8 -","4","1","","Wolf, Joffrey; Thommes, Katrin; Briel, Oliver; Scopelliti, Rosario; Severin, Kay","Dinuclear Ruthenium Ethylene Complexes: Syntheses, Structures, and Catalytic Applications in ATRA and ATRC Reactions","Organometallics","2008","27","17","4464","","10.1021/om8004096","","","0.71073","MoKα","","0.0805","0.0441","","","0.0662","0.0768","","","","","","1.041","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071831","10.2138","0.0004","18.8352","0.0006","13.6626","0.0005","90","","111.811","0.004","90","","2440.24","0.17","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H41 Cl2 P Ru -","- C25 H41 Cl2 P Ru -","- C100 H164 Cl8 P4 Ru4 -","4","1","","Wolf, Joffrey; Thommes, Katrin; Briel, Oliver; Scopelliti, Rosario; Severin, Kay","Dinuclear Ruthenium Ethylene Complexes: Syntheses, Structures, and Catalytic Applications in ATRA and ATRC Reactions","Organometallics","2008","27","17","4464","","10.1021/om8004096","","","0.71073","MoKα","","0.0676","0.0393","","","0.0706","0.0801","","","","","","1.053","","","","has coordinates,has disorder","178607","2020-10-21","18:00:00",""
"4071832","19.7274","0.0012","9.6194","0.0004","20.4425","0.0013","90","","118.446","0.008","90","","3410.9","0.4","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Cl8 P Ru2 -","- C29 H30 Cl8 P Ru2 -","- C116 H120 Cl32 P4 Ru8 -","4","1","","Wolf, Joffrey; Thommes, Katrin; Briel, Oliver; Scopelliti, Rosario; Severin, Kay","Dinuclear Ruthenium Ethylene Complexes: Syntheses, Structures, and Catalytic Applications in ATRA and ATRC Reactions","Organometallics","2008","27","17","4464","","10.1021/om8004096","","","0.71073","MoKα","","0.1032","0.0602","","","0.1282","0.1516","","","","","","1.032","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071833","18.0407","0.0007","13.7759","0.0005","22.9357","0.0008","90","","90","","90","","5700.1","0.4","140","2","140","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C22 H41 Cl5 P Ru2 -","- C22 H41 Cl5 P Ru2 -","- C176 H328 Cl40 P8 Ru16 -","8","1","","Wolf, Joffrey; Thommes, Katrin; Briel, Oliver; Scopelliti, Rosario; Severin, Kay","Dinuclear Ruthenium Ethylene Complexes: Syntheses, Structures, and Catalytic Applications in ATRA and ATRC Reactions","Organometallics","2008","27","17","4464","","10.1021/om8004096","","","0.71073","MoKα","","0.1179","0.0738","","","0.1272","0.1439","","","","","","1.182","","","","has coordinates,has disorder","178607","2020-10-21","18:00:00",""
"4071834","12.5314","0.0006","15.3256","0.0007","16.6218","0.0008","90","","106.641","0.001","90","","3058.5","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Cl5 Ir2 N3 -","- C24 H38 Cl5 Ir2 N3 -","- C96 H152 Cl20 Ir8 N12 -","4","1","","Zanardi, Alessandro; Corberán, Rosa; Mata, José A.; Peris, Eduardo","Homo- and Heterodinuclear Complexes with Triazolyl-diylidene. An Easy Approach to Tandem Catalysts⊥","Organometallics","2008","27","14","3570","","10.1021/om800411v","","x-ray","0.71073","MoKα","","0.0699","0.039","","","0.0807","0.0934","","","","","","1.027","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071835","12.5908","0.0004","15.2228","0.0006","16.6788","0.0006","90","","106.813","0.001","90","","3060.13","0.19","298","2","571","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 Cl5 Ir N3 Rh -","- C24 H38 Cl5 Ir N3 Rh -","- C96 H152 Cl20 Ir4 N12 Rh4 -","4","1","","Zanardi, Alessandro; Corberán, Rosa; Mata, José A.; Peris, Eduardo","Homo- and Heterodinuclear Complexes with Triazolyl-diylidene. An Easy Approach to Tandem Catalysts⊥","Organometallics","2008","27","14","3570","","10.1021/om800411v","","x-ray","0.71073","MoKα","","0.0377","0.0267","","","0.068","0.0755","","","","","","1.034","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071836","8.4528","0.0003","15.0376","0.0006","23.8627","0.0009","90","","90","","90","","3033.2","0.2","298","2","571","2","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C25 H39 Cl4 Ir2 N3 O -","- C25 H39 Cl4 Ir2 N3 O -","- C100 H156 Cl16 Ir8 N12 O4 -","4","0.5","","Zanardi, Alessandro; Corberán, Rosa; Mata, José A.; Peris, Eduardo","Homo- and Heterodinuclear Complexes with Triazolyl-diylidene. An Easy Approach to Tandem Catalysts⊥","Organometallics","2008","27","14","3570","","10.1021/om800411v","","x-ray","0.71073","MoKα","","0.0381","0.0297","","","0.0807","0.0854","","","","","","1.183","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071837","14.2437","0.0004","14.2437","0.0004","17.8872","0.0005","90","","90","","120","","3142.81","0.15","200","","200","","","","","","","","?","7","R 3 :H","R 3","146","","","","- C14 H16 B N7 O3 S3 W -","- C14.0001 H16 B N6.9999 O3 S3 W -","- C84.0006 H96 B6 N41.9994 O18 S18 W6 -","6","0.666667","","Abernethy, Robyn J.; Foreman, Mark R. St.-J.; Hill, Anthony F.; Tshabang, Never; Willis, Anthony C.; Young, Rowan D.","Poly(methimazolyl)borato Nitrosyl Complexes of Molybdenum and Tungsten","Organometallics","2008","27","17","4455","","10.1021/om800416j","","","0.71073","MoKα","","","0.0224","","","","0.02","","","","","","1.0622","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071838","17.4413","0.0006","6.7479","0.0002","15.0143","0.0006","90","","90","","90","","1767.07","0.11","200","","200","","","","","","","","local","7","P n n m","-P 2 2n","58","","","","- C11 H15 B Mo N5 O3.5 S2 -","- C11 H15 B Mo N5 O3.5 S2 -","- C44 H60 B4 Mo4 N20 O14 S8 -","4","0.5","","Abernethy, Robyn J.; Foreman, Mark R. St.-J.; Hill, Anthony F.; Tshabang, Never; Willis, Anthony C.; Young, Rowan D.","Poly(methimazolyl)borato Nitrosyl Complexes of Molybdenum and Tungsten","Organometallics","2008","27","17","4455","","10.1021/om800416j","","","0.71073","MoKα","","0.0664","0.0332","","0.0711","0.0377","0.0377","","","","","","1.1528","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071839","10.0313","0.0004","10.3673","0.0004","16.8936","0.0007","95.5217","0.0014","90.9341","0.0012","102.745","0.0019","1704.38","0.12","200","","200","","","","","","","","local","9","P -1","-P 1","2","","","","- C29 H29 B Cl2 N5 O3 P S2 W -","- C29 H29 B Cl2 N5 O3 P S2 W -","- C58 H58 B2 Cl4 N10 O6 P2 S4 W2 -","2","1","","Abernethy, Robyn J.; Foreman, Mark R. St.-J.; Hill, Anthony F.; Tshabang, Never; Willis, Anthony C.; Young, Rowan D.","Poly(methimazolyl)borato Nitrosyl Complexes of Molybdenum and Tungsten","Organometallics","2008","27","17","4455","","10.1021/om800416j","","","0.71073","MoKα","","0.0351","0.0351","","0.0372","0.0372","0.0372","","","","","","1.1013","","","","has coordinates,has disorder","178607","2020-10-21","18:00:00",""
"4071840","34.896","0.007","9.601","0.002","39.433","0.008","90","","103.36","0.03","90","","12854","5","220","2","220","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H100 Cl3 Li O9 Si2 U2 -","- C56 H100 Cl3 Li O9 Si2 U2 -","- C448 H800 Cl24 Li8 O72 Si16 U16 -","8","1","","Wang, Jiaxi; Gurevich, Ylia; Botoshansky, Mark; Eisen, Moris S.","Coordinative Unsaturation versus Oxophilicity:ansaDimethylsilyl Oxo-Bridged Uranium Metallocenes. Synthesis, Structures, and Unexpected Catalytic Activity with Alkynes and Silanes","Organometallics","2008","27","17","4494","","10.1021/om800418u","","","0.7107","MoKα","","0.1356","0.0477","","","0.0787","0.0836","","","","","","0.819","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071841","15.052","0.003","10.636","0.002","28.982","0.006","90","","97.33","0.03","90","","4601.9","1.6","230","1","230","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Uran-lithium","","","- C42 H65 Cl3 Li O2 Si2 U2 -","- C42 H65 Cl3 Li O2 Si2 U2 -","- C168 H260 Cl12 Li4 O8 Si8 U8 -","4","1","","Wang, Jiaxi; Gurevich, Ylia; Botoshansky, Mark; Eisen, Moris S.","Coordinative Unsaturation versus Oxophilicity:ansaDimethylsilyl Oxo-Bridged Uranium Metallocenes. Synthesis, Structures, and Unexpected Catalytic Activity with Alkynes and Silanes","Organometallics","2008","27","17","4494","","10.1021/om800418u","","","0.71073","MoKα","","0.1677","0.065","","","0.1167","0.1513","","","","","","0.944","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071842","18.7817","0.001","19.361","0.0009","26.7142","0.0013","74.084","0.004","85.777","0.004","62.672","0.003","8283.6","0.8","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C136 H124 F18 N12 O30 Ru6 S6 -","- C136 H124 F18 N12 O30 Ru6 S6 -","- C272 H248 F36 N24 O60 Ru12 S12 -","2","1","","Mattsson, Johan; Govindaswamy, Padavattan; Furrer, Julien; Sei, Yoshihisa; Yamaguchi, Kentaro; Süss-Fink, Georg; Therrien, Bruno","Encapsulation of Aromatic Molecules in Hexanuclear Arene Ruthenium Cages: A Strategy to Build Up Organometallic Carceplex Prisms with a Dangling Arm Standing Out","Organometallics","2008","27","17","4346","","10.1021/om800419s","","","0.71073","MoKα","","0.1747","0.1279","","","0.3357","0.3672","","","","","","1.203","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071843","19.1093","0.001","18.7712","0.001","26.8471","0.0016","85.978","0.005","73.075","0.004","63.455","0.004","8221.6","0.9","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C140 H126 F18 N12 O30 Ru6 S6 -","- C140 H126 F18 N12 O30 Ru6 S6 -","- C280 H252 F36 N24 O60 Ru12 S12 -","2","1","","Mattsson, Johan; Govindaswamy, Padavattan; Furrer, Julien; Sei, Yoshihisa; Yamaguchi, Kentaro; Süss-Fink, Georg; Therrien, Bruno","Encapsulation of Aromatic Molecules in Hexanuclear Arene Ruthenium Cages: A Strategy to Build Up Organometallic Carceplex Prisms with a Dangling Arm Standing Out","Organometallics","2008","27","17","4346","","10.1021/om800419s","","","0.71073","MoKα","","0.1384","0.0844","","","0.2237","0.2455","","","","","","0.917","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071844","9.072","0.0002","12.085","0.0003","32.693","0.0009","90","","90","","90","","3584.3","0.15","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H39 Cl2 F6 N2 P Ru2 -","- C37 H39 Cl2 F6 N2 P Ru2 -","- C148 H156 Cl8 F24 N8 P4 Ru8 -","4","1","","Pannetier, Nicolas; Sortais, Jean-Baptiste; Dieng, Pape Sylla; Barloy, Laurent; Sirlin, Claude; Pfeffer, Michel","Kinetics and Mechanism of Ruthenacycle-Catalyzed Asymmetric Hydrogen Transfer","Organometallics","2008","27","22","5852","","10.1021/om800420r","","","0.71073","MoKα","","0.0578","0.0378","","","0.0707","0.077","","","","","","1.032","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071845","7.722","0.0001","13.556","0.0003","13.251","0.0003","90","","91.012","0.0009","90","","1386.89","0.05","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H34 N2 Ru2 -","- C36 H34 N2 Ru2 -","- C72 H68 N4 Ru4 -","2","1","","Pannetier, Nicolas; Sortais, Jean-Baptiste; Dieng, Pape Sylla; Barloy, Laurent; Sirlin, Claude; Pfeffer, Michel","Kinetics and Mechanism of Ruthenacycle-Catalyzed Asymmetric Hydrogen Transfer","Organometallics","2008","27","22","5852","","10.1021/om800420r","","","0.71073","MoKα","","0.0326","0.0292","","","0.0583","0.0596","","","","","","1.032","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071846","11.7404","0.0012","14.5944","0.0014","15.3327","0.0015","90","","90","","90","","2627.2","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H43 Fe N O2 P2 -","- C25 H43 Fe N O2 P2 -","- C100 H172 Fe4 N4 O8 P8 -","4","1","","Pelczar, Elizabeth M.; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Unusual Structural and Spectroscopic Features of Some PNP-Pincer Complexes of Iron","Organometallics","2008","27","22","5759","","10.1021/om800425p","","","0.71073","MoKα","","0.023","0.0219","","","0.0561","0.0565","","","","","","1.041","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071847","12.0831","0.0009","15.5084","0.0012","14.5049","0.0011","90","","91.093","0.002","90","","2717.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H43 Cl2 Fe N P2 -","- C23 H43 Cl2 Fe N P2 -","- C92 H172 Cl8 Fe4 N4 P8 -","4","1","","Pelczar, Elizabeth M.; Emge, Thomas J.; Krogh-Jespersen, Karsten; Goldman, Alan S.","Unusual Structural and Spectroscopic Features of Some PNP-Pincer Complexes of Iron","Organometallics","2008","27","22","5759","","10.1021/om800425p","","","0.71073","MoKα","","0.0534","0.0349","","","0.0753","0.0823","","","","","","1.012","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071848","8.437","0.003","12.084","0.009","14.081","0.005","90","","90.94","0.02","90","","1435.4","1.3","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","5a","[N-(isopropylideneimino)acetimidato-N',O][N-(isopropylamino)acetimidato-N',O]methylsilicon(IV)","","- C11 H22 N4 O2 Si -","- C11 H22 N4 O2 Si -","- C44 H88 N16 O8 Si4 -","4","1","","Kertsnus-Banchik, Evgenia; Kalikhman, Inna; Gostevskii, Boris; Deutsch, Zvicka; Botoshansky, Mark; Kost, Daniel","Hydride Migration from Silicon to an Adjacent Unsaturated Imino Carbon: Intramolecular Hydrosilylation","Organometallics","2008","27","20","5285","","10.1021/om800427x","","","0.71073","MoKα","","0.1209","0.0677","","","0.1764","0.1932","","","","","","1.029","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071849","10.356","0.002","20.348","0.004","11.087","0.002","90","","95.56","0.02","90","","2325.3","0.8","140","1","140","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","5d","[N-(isopropylideneimino)phenylacetimidato-N',O][N-(isopropylamino)phenylacetimidato-N',O]methylsilicon(IV)","","- C23 H25 N4 O2 Si -","- C23 H30 N4 O2 Si -","- C92 H120 N16 O8 Si4 -","4","1","","Kertsnus-Banchik, Evgenia; Kalikhman, Inna; Gostevskii, Boris; Deutsch, Zvicka; Botoshansky, Mark; Kost, Daniel","Hydride Migration from Silicon to an Adjacent Unsaturated Imino Carbon: Intramolecular Hydrosilylation","Organometallics","2008","27","20","5285","","10.1021/om800427x","","","0.71073","MoKα","","0.2241","0.1083","","","0.2621","0.2983","","","","","","0.965","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071850","9.683","0.002","11.351","0.002","11.49","0.002","115.096","0.003","110.27","0.003","95.533","0.004","1027.9","0.3","103","2","200","2","","","","","","","","5","P -1","-P 1","2","6c","","","- C17 H33 N4 O2 Si -","- C17 H32 N4 O2 Si -","- C34 H64 N8 O4 Si2 -","2","1","","Kertsnus-Banchik, Evgenia; Kalikhman, Inna; Gostevskii, Boris; Deutsch, Zvicka; Botoshansky, Mark; Kost, Daniel","Hydride Migration from Silicon to an Adjacent Unsaturated Imino Carbon: Intramolecular Hydrosilylation","Organometallics","2008","27","20","5285","","10.1021/om800427x","","","0.71073","MoKα","","0.0631","0.0576","","","0.1698","0.1768","","","","","","1.062","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071851","9.0893","0.0018","20.272","0.004","12.872","0.003","90","","103.255","0.003","90","","2308.6","0.8","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","12a","","","- C25 H28 N4 O2 Si -","- C25 H28 N4 O2 Si -","- C100 H112 N16 O8 Si4 -","4","1","","Kertsnus-Banchik, Evgenia; Kalikhman, Inna; Gostevskii, Boris; Deutsch, Zvicka; Botoshansky, Mark; Kost, Daniel","Hydride Migration from Silicon to an Adjacent Unsaturated Imino Carbon: Intramolecular Hydrosilylation","Organometallics","2008","27","20","5285","","10.1021/om800427x","","","0.71073","MoKα","","0.083","0.0479","","","0.1163","0.1317","","","","","","1.043","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071852","9.691","0.002","11.134","0.002","14.777","0.003","80.57","0.02","89.28","0.02","68.48","0.02","1461.3","0.5","240","1","240","1","","","","","","","","5","P -1","-P 1","2","12c","","","- C31 H40 N4 O2 Si -","- C31 H40 N4 O2 Si -","- C62 H80 N8 O4 Si2 -","2","1","","Kertsnus-Banchik, Evgenia; Kalikhman, Inna; Gostevskii, Boris; Deutsch, Zvicka; Botoshansky, Mark; Kost, Daniel","Hydride Migration from Silicon to an Adjacent Unsaturated Imino Carbon: Intramolecular Hydrosilylation","Organometallics","2008","27","20","5285","","10.1021/om800427x","","","0.71073","MoKα","","0.0602","0.0456","","","0.1301","0.1395","","","","","","0.859","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071853","14.293","0.002","10.3528","0.0016","15.528","0.003","90","","99.007","0.003","90","","2269.4","0.6","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","13","","","- C25 H30 N4 O2 Si -","- C25 H29.5 N4 O2 Si -","- C100 H118 N16 O8 Si4 -","4","1","","Kertsnus-Banchik, Evgenia; Kalikhman, Inna; Gostevskii, Boris; Deutsch, Zvicka; Botoshansky, Mark; Kost, Daniel","Hydride Migration from Silicon to an Adjacent Unsaturated Imino Carbon: Intramolecular Hydrosilylation","Organometallics","2008","27","20","5285","","10.1021/om800427x","","","0.71073","MoKα","","0.0923","0.0521","","","0.1243","0.1433","","","","","","1.04","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071854","8.32","0.002","9.969","0.002","11.555","0.002","91.54","0.02","99.44","0.03","90.17","0.02","945","0.3","240","2","240","2","","","","","","","","5","P -1","-P 1","2","15a","[N-(benzylideneimino)acetimidato-N',O] [N-(benzylamino)acetimidato-N',O]methylsilicon(IV)","","- C19 H22 N4 O2 Si -","- C19 H22 N4 O2 Si -","- C38 H44 N8 O4 Si2 -","2","1","","Kertsnus-Banchik, Evgenia; Kalikhman, Inna; Gostevskii, Boris; Deutsch, Zvicka; Botoshansky, Mark; Kost, Daniel","Hydride Migration from Silicon to an Adjacent Unsaturated Imino Carbon: Intramolecular Hydrosilylation","Organometallics","2008","27","20","5285","","10.1021/om800427x","","","0.71073","MoKα","","0.0615","0.0431","","","0.1208","0.1278","","","","","","1.128","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071855","8.7632","0.0006","27.233","0.002","8.4558","0.0006","90","","110.744","0.002","90","","1887.1","0.2","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H26 N2 Si2 Zr -","- C16 H26 N2 Si2 Zr -","- C64 H104 N8 Si8 Zr4 -","4","1","","Wang, Cun; Luo, He-Kuan; van Meurs, Martin; Stubbs, Ludger P.; Wong, Pui-Kwan","The New Tridentate Ligand CpSiNSiCp and Its Zirconium Complexes: Incorporation of Two Bridged Constrained-Geometry Units into One Molecule","Organometallics","2008","27","13","2908","","10.1021/om8004299","","","0.71073","MoKα","","0.0641","0.0473","","","0.1027","0.1094","","","","","","1.047","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071856","31.325","0.0008","31.325","0.0008","7.0407","0.0003","90","","90","","90","","6908.7","0.4","223","2","223","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C14 H20 Cl N Si2 Zr -","- C14 H20 Cl N Si2 Zr -","- C224 H320 Cl16 N16 Si32 Zr16 -","16","1","","Wang, Cun; Luo, He-Kuan; van Meurs, Martin; Stubbs, Ludger P.; Wong, Pui-Kwan","The New Tridentate Ligand CpSiNSiCp and Its Zirconium Complexes: Incorporation of Two Bridged Constrained-Geometry Units into One Molecule","Organometallics","2008","27","13","2908","","10.1021/om8004299","","","0.71073","MoKα","","0.0331","0.0298","","","0.0711","0.0727","","","","","","1.116","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071857","11.045","0.001","13.584","0.001","20.498","0.003","90","","98.111","0.004","90","","3044.7","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H39 B N9 O4 P W -","- C26 H39 B N9 O4 P W -","- C104 H156 B4 N36 O16 P4 W4 -","4","1","","Kosturko, George W.; Graham, Peter M.; Myers, William H.; Smith, Timothy M.; Sabat, Michal; Harman, W. Dean","Tungsten-Promoted Diels−Alder Cycloaddition of Pyridines: Dearomatization of 2,6-Dimethoxypyridine Generates a Potent 2-Azadiene Synthon","Organometallics","2008","27","17","4513","","10.1021/om800430p","","","0.71073","MoKα","","0.0671","0.0567","","","0.1793","0.1879","","","","","","1.067","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071858","10.8727","0.0009","11.1879","0.001","25.721","0.002","97.74","0.002","101.899","0.002","95.114","0.002","3011.5","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H31 B N9 O3 P W -","- C22 H31 B N9 O3 P W -","- C88 H124 B4 N36 O12 P4 W4 -","4","2","","Kosturko, George W.; Graham, Peter M.; Myers, William H.; Smith, Timothy M.; Sabat, Michal; Harman, W. Dean","Tungsten-Promoted Diels−Alder Cycloaddition of Pyridines: Dearomatization of 2,6-Dimethoxypyridine Generates a Potent 2-Azadiene Synthon","Organometallics","2008","27","17","4513","","10.1021/om800430p","","","0.71073","MoKα","","0.1288","0.0729","","","0.1993","0.2187","","","","","","0.897","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071859","20.548","0.004","13.322","0.003","22.697","0.005","90","","94.58","0.03","90","","6193","2","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H39 B N8 O5.5 P W -","- C25 H39 B N8 O5.5 P W -","- C200 H312 B8 N64 O44 P8 W8 -","8","2","","Kosturko, George W.; Graham, Peter M.; Myers, William H.; Smith, Timothy M.; Sabat, Michal; Harman, W. Dean","Tungsten-Promoted Diels−Alder Cycloaddition of Pyridines: Dearomatization of 2,6-Dimethoxypyridine Generates a Potent 2-Azadiene Synthon","Organometallics","2008","27","17","4513","","10.1021/om800430p","","","0.71073","MoKα","","0.0641","0.0401","","","0.1058","0.1158","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071860","11.5691","0.0007","13.0081","0.0008","23.9368","0.0016","90","","102.98","0.001","90","","3510.3","0.4","293","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C26 H37 B Cl3 N8 O7 P W -","- C26 H37 B Cl3 N8 O7 P W -","- C104 H148 B4 Cl12 N32 O28 P4 W4 -","4","1","","Kosturko, George W.; Graham, Peter M.; Myers, William H.; Smith, Timothy M.; Sabat, Michal; Harman, W. Dean","Tungsten-Promoted Diels−Alder Cycloaddition of Pyridines: Dearomatization of 2,6-Dimethoxypyridine Generates a Potent 2-Azadiene Synthon","Organometallics","2008","27","17","4513","","10.1021/om800430p","","","0.71073","MoKα","","0.1099","0.0465","","","0.0706","0.0823","","","","","","0.744","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071861","9.586","0.002","11.53","0.003","16.08","0.004","95.731","0.005","104.202","0.005","108.601","0.005","1602","0.7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H36 B N8 O7 P W -","- C25 H36 B N8 O7 P W -","- C50 H72 B2 N16 O14 P2 W2 -","2","1","","Kosturko, George W.; Graham, Peter M.; Myers, William H.; Smith, Timothy M.; Sabat, Michal; Harman, W. Dean","Tungsten-Promoted Diels−Alder Cycloaddition of Pyridines: Dearomatization of 2,6-Dimethoxypyridine Generates a Potent 2-Azadiene Synthon","Organometallics","2008","27","17","4513","","10.1021/om800430p","","","0.71073","MoKα","","0.1107","0.0516","","","0.0678","0.081","","","","","","0.717","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071862","12.7173","0.0008","15.8292","0.0011","21.9594","0.0015","91.004","0.006","101.361","0.005","107.137","0.005","4128","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C43.5 H31 B F20 Sn -","- C43.5 H31 B F20 Sn -","- C174 H124 B4 F80 Sn4 -","4","2","","Yang, Yu; Panisch, Robin; Bolte, Michael; Müller, Thomas","Bis-alkene Complexes of Stannylium and Germylium Ions","Organometallics","2008","27","19","4847","","10.1021/om800432x","","","0.71073","MoKα","","0.0854","0.0726","","","0.1832","0.1873","","","","","","1.195","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071863","12.063","0.003","19.635","0.004","13.47","0.003","90","","105.616","0.003","90","","3072.7","1.2","113.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 Ge2 P2 Pd -","- C30 H38 Ge2 P2 Pd -","- C120 H152 Ge8 P8 Pd4 -","4","1","","Tanabe, Makoto; Ishikawa, Naoko; Hanzawa, Masaya; Osakada, Kohtaro","Mono- and Dinuclear Germapalladacycles Obtained via the Ge−Ge Bond Forming Reactions Promoted by Palladium Complexes","Organometallics","2008","27","19","5152","","10.1021/om8004349","","","0.7107","MoKα","","","0.0309","","","","0.085","","","","","","1.004","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071864","16.2875","0.0018","16.1779","0.0018","18.868","0.002","90","","93.8134","0.0016","90","","4960.7","0.9","113.1","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H62 Ge3 P4 Pd2 -","- C48 H62 Ge3 P4 Pd2 -","- C192 H248 Ge12 P16 Pd8 -","4","1","","Tanabe, Makoto; Ishikawa, Naoko; Hanzawa, Masaya; Osakada, Kohtaro","Mono- and Dinuclear Germapalladacycles Obtained via the Ge−Ge Bond Forming Reactions Promoted by Palladium Complexes","Organometallics","2008","27","19","5152","","10.1021/om8004349","","","0.7107","MoKα","","","0.0287","","","","0.0559","","","","","","1.084","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071865","22.863","0.004","21.865","0.003","30.131","0.005","90","","101.893","0.002","90","","14739","4","113.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C54 H56 Ge4 P2 Pd -","- C54 H56 Ge4 P2 Pd -","- C648 H672 Ge48 P24 Pd12 -","12","3","","Tanabe, Makoto; Ishikawa, Naoko; Hanzawa, Masaya; Osakada, Kohtaro","Mono- and Dinuclear Germapalladacycles Obtained via the Ge−Ge Bond Forming Reactions Promoted by Palladium Complexes","Organometallics","2008","27","19","5152","","10.1021/om8004349","","","0.7107","MoKα","","","0.0562","","","","0.132","","","","","","0.957","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071866","6.0186","0.0012","32.173","0.006","12.237","0.003","90","","94.131","0.009","90","","2363.4","0.9","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H31 I N2 O2 Pd -","- C22 H31 I N2 O2 Pd -","- C88 H124 I4 N8 O8 Pd4 -","4","2","","Bugarin, Alejandro; Connell, Brian T.","Chiral Nickel(II) and Palladium(II) NCN-Pincer Complexes Based on Substituted Benzene: Synthesis, Structure, and Lewis Acidity","Organometallics","2008","27","17","4357","","10.1021/om8004367","","","1.54184","CuKα","","0.1307","0.0784","","","0.1515","0.1759","","","","","","1.015","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071867","5.901","0.003","32.739","0.019","18.306","0.01","90","","95.539","0.009","90","","3520","3","60","2","60","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C33 H46.5 I1.5 N3 Ni1.5 O3 -","- C33 H46.5 I1.5 N3 Ni1.5 O3 -","- C132 H186 I6 N12 Ni6 O12 -","4","2","","Bugarin, Alejandro; Connell, Brian T.","Chiral Nickel(II) and Palladium(II) NCN-Pincer Complexes Based on Substituted Benzene: Synthesis, Structure, and Lewis Acidity","Organometallics","2008","27","17","4357","","10.1021/om8004367","","","0.71073","MoKα","","0.0626","0.0413","","","0.0761","0.0842","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071868","9.478","0.006","21.389","0.013","11.315","0.007","90","","95.246","0.008","90","","2284","2","163","2","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 I N2 O2 -","- C22 H31 I N2 O2 -","- C88 H124 I4 N8 O8 -","4","2","","Bugarin, Alejandro; Connell, Brian T.","Chiral Nickel(II) and Palladium(II) NCN-Pincer Complexes Based on Substituted Benzene: Synthesis, Structure, and Lewis Acidity","Organometallics","2008","27","17","4357","","10.1021/om8004367","","","0.71073","MoKα","","0.0618","0.0461","","","0.0862","0.0906","","","","","","1.019","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071869","6.6808","0.0007","19.625","0.002","20.422","0.002","90","","90","","90","","2677.5","0.5","110","2","110","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H31 Br N2 O2 Pd -","- C30 H31 Br N2 O2 Pd -","- C120 H124 Br4 N8 O8 Pd4 -","4","1","","Bugarin, Alejandro; Connell, Brian T.","Chiral Nickel(II) and Palladium(II) NCN-Pincer Complexes Based on Substituted Benzene: Synthesis, Structure, and Lewis Acidity","Organometallics","2008","27","17","4357","","10.1021/om8004367","","","1.54178","CuKα","","0.053","0.0453","","","0.1079","0.1121","","","","","","1.005","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071870","6.1341","0.0006","11.6353","0.001","29.016","0.003","90","","90","","90","","2070.9","0.3","90","2","90","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 Cl N2 Ni O7 -","- C18 H25 Cl N2 Ni O7 -","- C72 H100 Cl4 N8 Ni4 O28 -","4","1","","Bugarin, Alejandro; Connell, Brian T.","Chiral Nickel(II) and Palladium(II) NCN-Pincer Complexes Based on Substituted Benzene: Synthesis, Structure, and Lewis Acidity","Organometallics","2008","27","17","4357","","10.1021/om8004367","","","0.71073","MoKα","","0.0243","0.0224","","","0.0539","0.0546","","","","","","1.041","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4071871","13.167","0.0009","5.8235","0.0004","13.0951","0.0008","90","","90","","90","","1004.11","0.12","110","2","110","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C24 H19 Br N2 Ni O2 -","- C24 H19 Br N2 Ni O2 -","- C48 H38 Br2 N4 Ni2 O4 -","2","0.5","","Bugarin, Alejandro; Connell, Brian T.","Chiral Nickel(II) and Palladium(II) NCN-Pincer Complexes Based on Substituted Benzene: Synthesis, Structure, and Lewis Acidity","Organometallics","2008","27","17","4357","","10.1021/om8004367","","","1.54178","CuKα","","0.021","0.0196","","","0.0474","0.0478","","","","","","1.035","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071872","6.2679","0.0008","10.9501","0.0013","35.488","0.005","90","","90","","90","","2435.7","0.5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C112 H108 Br4 N8 Ni4 O8 -","- C112 H108 Br4 N8 Ni4 O8 -","- C112 H108 Br4 N8 Ni4 O8 -","1","0.25","","Bugarin, Alejandro; Connell, Brian T.","Chiral Nickel(II) and Palladium(II) NCN-Pincer Complexes Based on Substituted Benzene: Synthesis, Structure, and Lewis Acidity","Organometallics","2008","27","17","4357","","10.1021/om8004367","","","1.54178","CuKα","","0.0854","0.072","","","0.1645","0.1728","","","","","","1.035","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071873","9.5206","0.0019","14.645","0.003","20.701","0.004","81.88","0.03","89.2","0.03","84.67","0.03","2845","1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H90 Si14 -","- C30 H90 Si14 -","- C60 H180 Si28 -","2","1","","Wallner, Andreas; Wagner, Harald; Baumgartner, Judith; Marschner, Christoph; Rohm, Henning W.; Köckerling, Martin; Krempner, Clemens","Structure, Conformation, and UV Absorption Behavior of Partially Trimethylsilylated Oligosilane Chains","Organometallics","2008","27","20","5221","","10.1021/om8004383","","","0.71073","MoKα","","0.1328","0.1076","","","0.2135","0.2255","","","","","","1.237","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071874","9.832","0.002","14.033","0.003","29.483","0.006","89.14","0.03","83.87","0.03","75.44","0.03","3914.4","1.5","250","2","250","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H126 Si20 -","- C42 H126 Si20 -","- C84 H252 Si40 -","2","1","","Wallner, Andreas; Wagner, Harald; Baumgartner, Judith; Marschner, Christoph; Rohm, Henning W.; Köckerling, Martin; Krempner, Clemens","Structure, Conformation, and UV Absorption Behavior of Partially Trimethylsilylated Oligosilane Chains","Organometallics","2008","27","20","5221","","10.1021/om8004383","","","0.71073","MoKα","","0.1687","0.1284","","","0.2513","0.2682","","","","","","1.219","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071875","9.2052","0.0018","9.6344","0.0019","27.109","0.005","94.89","0.03","95.07","0.03","116.65","0.03","2119.2","0.9","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C46 H138 Si22 -","- C46 H138 Si22 -","- C46 H138 Si22 -","1","0.5","","Wallner, Andreas; Wagner, Harald; Baumgartner, Judith; Marschner, Christoph; Rohm, Henning W.; Köckerling, Martin; Krempner, Clemens","Structure, Conformation, and UV Absorption Behavior of Partially Trimethylsilylated Oligosilane Chains","Organometallics","2008","27","20","5221","","10.1021/om8004383","","","0.71073","MoKα","","0.1428","0.0985","","","0.199","0.2149","","","","","","1.158","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071876","13.041","0.004","14.089","0.004","8.462","0.002","90","","90","","90","","1554.8","0.7","100","2","100","2","","","","","","","","7","P m m n :2","-P 2ab 2a","59","","","","- C26 H53 B F4 O2 Os P2 -","- C26 H53 B F4 O2 Os P2 -","- C52 H106 B2 F8 O4 Os2 P4 -","2","0.25","","Buil, María L.; Esteruelas, Miguel A.; Garcés, Karin; Oliván, Montserrat; Oñate, Enrique","Cβ(sp2)−H Bond Activation of α,β-Unsaturated Ketones Promoted by a Hydride-Elongated Dihydrogen Complex: Formation of Osmafuran Derivatives with Carbene, Carbyne, and NH-Tautomerized α-Substituted Pyridine Ligands","Organometallics","2008","27","18","4680","","10.1021/om800439g","","","0.71073","MoKα","","0.0638","0.0588","","","0.1339","0.1361","","","","","","1.094","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071877","7.89","0.003","15.363","0.006","16.115","0.006","71.071","0.006","82.244","0.006","82.111","0.006","1821.7","1.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C28.5 H57.8 B Cl2 F4 O2 Os P2 -","- C28.5 H57.8 B Cl2 F4 O2 Os P2 -","- C57 H115.6 B2 Cl4 F8 O4 Os2 P4 -","2","1","","Buil, María L.; Esteruelas, Miguel A.; Garcés, Karin; Oliván, Montserrat; Oñate, Enrique","Cβ(sp2)−H Bond Activation of α,β-Unsaturated Ketones Promoted by a Hydride-Elongated Dihydrogen Complex: Formation of Osmafuran Derivatives with Carbene, Carbyne, and NH-Tautomerized α-Substituted Pyridine Ligands","Organometallics","2008","27","18","4680","","10.1021/om800439g","","","0.71073","MoKα","","0.0768","0.0565","","","0.1006","0.1069","","","","","","0.931","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071878","10.258","0.002","14.422","0.003","14.825","0.003","92.738","0.004","94.386","0.004","107.905","0.004","2075","0.7","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C40 H64 B F4 N O Os P2 -","- C40 H64 B F4 N O Os P2 -","- C80 H128 B2 F8 N2 O2 Os2 P4 -","2","1","","Buil, María L.; Esteruelas, Miguel A.; Garcés, Karin; Oliván, Montserrat; Oñate, Enrique","Cβ(sp2)−H Bond Activation of α,β-Unsaturated Ketones Promoted by a Hydride-Elongated Dihydrogen Complex: Formation of Osmafuran Derivatives with Carbene, Carbyne, and NH-Tautomerized α-Substituted Pyridine Ligands","Organometallics","2008","27","18","4680","","10.1021/om800439g","","","0.7107","MoKα","","0.0629","0.048","","","0.0955","0.1012","","","","","","1.04","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071879","18.704","0.0002","17.323","0.0003","21.582","0.0002","90","","94.347","0.001","90","","6972.65","0.16","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound-6","1,8-Diazabicyclo[5.4.0]-7-undecenium 3,4-benzo-1,2,5-oxasilaboratacyclopentene","","- C35 H49 B N2 O Si -","- C37 H52 B N2 O1.5 Si -","- C296 H416 B8 N16 O12 Si8 -","8","2","","Kawachi, Atsushi; Zaima, Masatoshi; Yamamoto, Yohsuke","Intramolecular Reaction of Silanol and Triarylborane: Boron−Aryl Bond Cleavage and Formation of a Si−O−B Heterocyle","Organometallics","2008","27","18","4691","","10.1021/om8004405","","","0.71069","MoKα","","0.081","0.0595","","","0.167","0.2012","","","","","","1.134","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071880","8.513","0.0003","9.243","0.0003","25.006","0.0009","90","","97.385","0.004","90","","1951.29","0.12","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 Cl N Pt Si2 -","- C14 H30 Cl N Pt Si2 -","- C56 H120 Cl4 N4 Pt4 Si8 -","4","1","","Arunachalampillai, Athimoolam; Johnson, Magnus T.; Wendt, Ola F.","Synthesis of a Platinum(II) Bis(trimethylsilyl)amido Complex: A Better Starting Material for the Cyclometalation of Pincer Ligands","Organometallics","2008","27","17","4541","","10.1021/om800444g","","","0.71073","MoKα","","0.0486","0.0291","","","0.0664","0.0724","","","","","","0.978","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071881","13.849","0.003","13.765","0.003","17.266","0.004","90","","112.71","0.03","90","","3036.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H34 Fe2 N2 O4 -","- C35 H34 Fe2 N2 O4 -","- C140 H136 Fe8 N8 O16 -","4","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Addition of Isocyanides at Diiron μ-Vinyliminium Complexes: Synthesis of Novel Ketenimine−Bis(alkylidene) Complexes","Organometallics","2008","27","19","5058","","10.1021/om800445k","","","0.71073","MoKα","","0.0562","0.0419","","","0.1112","0.1203","","","","","","1.05","","","","has coordinates,has disorder","178607","2020-10-21","18:00:00",""
"4071882","11.013","0.002","11.506","0.002","14.818","0.003","94.56","0.03","93.89","0.03","95.94","0.03","1856.2","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.5 H40 Cl3 Fe2 N3 O4 -","- C38.5 H40 Cl3 Fe2 N3 O4 -","- C77 H80 Cl6 Fe4 N6 O8 -","2","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Addition of Isocyanides at Diiron μ-Vinyliminium Complexes: Synthesis of Novel Ketenimine−Bis(alkylidene) Complexes","Organometallics","2008","27","19","5058","","10.1021/om800445k","","","0.71073","MoKα","","0.0418","0.0373","","","0.0889","0.0914","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071883","12.595","0.003","16.987","0.003","15.355","0.003","90","","112.73","0.03","90","","3030.1","1.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H37 Fe2 N3 O4 -","- C29 H37 Fe2 N3 O4 -","- C116 H148 Fe8 N12 O16 -","4","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Addition of Isocyanides at Diiron μ-Vinyliminium Complexes: Synthesis of Novel Ketenimine−Bis(alkylidene) Complexes","Organometallics","2008","27","19","5058","","10.1021/om800445k","","","0.71073","MoKα","","0.0749","0.0506","","","0.1383","0.1537","","","","","","1.071","","","","has coordinates,has disorder","178607","2020-10-21","18:00:00",""
"4071884","30.013","0.003","14.6744","0.0017","11.5698","0.0013","90","","99.67","0.002","90","","5023.2","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Fe2 N3 O2.5 -","- C24 H32 Fe2 N3 O2.5 -","- C192 H256 Fe16 N24 O20 -","8","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Addition of Isocyanides at Diiron μ-Vinyliminium Complexes: Synthesis of Novel Ketenimine−Bis(alkylidene) Complexes","Organometallics","2008","27","19","5058","","10.1021/om800445k","","","0.71073","MoKα","","0.0504","0.0362","","","0.1076","0.1154","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4071885","15.125","0.003","12.884","0.003","15.943","0.003","90","","106.24","0.03","90","","2982.9","1.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H34 Fe2 N2 O2 -","- C34 H34 Fe2 N2 O2 -","- C136 H136 Fe8 N8 O8 -","4","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Addition of Isocyanides at Diiron μ-Vinyliminium Complexes: Synthesis of Novel Ketenimine−Bis(alkylidene) Complexes","Organometallics","2008","27","19","5058","","10.1021/om800445k","","","0.71073","MoKα","","0.0763","0.0509","","","0.1282","0.1426","","","","","","1.025","","","","has coordinates,has disorder","178607","2020-10-21","18:00:00",""
"4071886","25.4012","0.0016","10.4782","0.0007","19.8507","0.0013","90","","91.37","0.001","90","","5281.9","0.6","295","1","295","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 Cl5 P2 Pd -","- C58 H45 Cl5 P2 Pd -","- C232 H180 Cl20 P8 Pd4 -","4","1","","Kaganovsky, Luba; Cho, Kyung-Bin; Gelman, Dmitri","New Trans-Chelating Ligands and Their Complexes and Catalytic Properties in the Mizoroki−Heck Arylation of Cyclohexene","Organometallics","2008","27","19","5139","","10.1021/om800448b","","","0.71073","MoKα","","0.1344","0.1072","","","0.1925","0.2035","","","","","","1.261","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071887","10.5211","0.0006","21.0544","0.0012","23.1205","0.0014","90","","97.247","0.001","90","","5080.6","0.5","173","1","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56.5 H45.5 Cl5.5 O P2 Rh -","- C113 H88 Cl11 O2 P4 Rh2 -","- C226 H176 Cl22 O4 P8 Rh4 -","2","0.5","","Kaganovsky, Luba; Cho, Kyung-Bin; Gelman, Dmitri","New Trans-Chelating Ligands and Their Complexes and Catalytic Properties in the Mizoroki−Heck Arylation of Cyclohexene","Organometallics","2008","27","19","5139","","10.1021/om800448b","","","0.71073","MoKα","","0.0477","0.0444","","","0.1064","0.1082","","","","","","1.131","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071888","11.0563","0.0005","26.6545","0.0013","20.6206","0.001","90","","104.7","0.001","90","","5878","0.5","173","1","173","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H51 B Cl9 F4 P2 Rh -","- C61 H51 B Cl9 F4 P2 Rh -","- C244 H204 B4 Cl36 F16 P8 Rh4 -","4","1","","Kaganovsky, Luba; Cho, Kyung-Bin; Gelman, Dmitri","New Trans-Chelating Ligands and Their Complexes and Catalytic Properties in the Mizoroki−Heck Arylation of Cyclohexene","Organometallics","2008","27","19","5139","","10.1021/om800448b","","","0.71073","MoKα","","0.1217","0.0817","","","0.1824","0.2044","","","","","","1.074","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071889","9.3447","0.0013","13.4617","0.0018","34.022","0.005","90","","90","","90","","4279.8","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H34 B9 N -","- C17 H34 B9 N -","- C136 H272 B72 N8 -","8","1","","Liu, Dongmei; Wang, Yaorong; Chan, Hoi-Shan; Tang, Yong; Xie, Zuowei","Synthesis, Structure, and Reactivity of Group 4 Metallacarboranes Bearing the Ligand [Me2C(C9H6)(C2B9H10)]3−","Organometallics","2008","27","20","5295","","10.1021/om800452f","","","0.71073","MoKα","","0.1931","0.0967","","","0.2617","0.3432","","","","","","1.023","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071890","14.14","0.003","10.683","0.002","16.648","0.003","90","","111.59","0.03","90","","2338.4","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H35 B9 N2 Zr -","- C18 H35 B9 N2 Zr -","- C72 H140 B36 N8 Zr4 -","4","1","","Liu, Dongmei; Wang, Yaorong; Chan, Hoi-Shan; Tang, Yong; Xie, Zuowei","Synthesis, Structure, and Reactivity of Group 4 Metallacarboranes Bearing the Ligand [Me2C(C9H6)(C2B9H10)]3−","Organometallics","2008","27","20","5295","","10.1021/om800452f","","","0.71073","MoKα","","0.0441","0.0422","","","0.1176","0.1197","","","","","","1.032","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071891","12.265","0.003","13.11","0.003","13.761","0.003","78.22","0.03","83.36","0.03","84.01","0.03","2144.1","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C33 H59 B9 Cl Na O6 Zr -","- C33 H59 B9 Cl Na O6 Zr -","- C66 H118 B18 Cl2 Na2 O12 Zr2 -","2","1","","Liu, Dongmei; Wang, Yaorong; Chan, Hoi-Shan; Tang, Yong; Xie, Zuowei","Synthesis, Structure, and Reactivity of Group 4 Metallacarboranes Bearing the Ligand [Me2C(C9H6)(C2B9H10)]3−","Organometallics","2008","27","20","5295","","10.1021/om800452f","","","0.71073","MoKα","","0.0825","0.0627","","","0.1538","0.1663","","","","","","1.05","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071892","11.494","0.002","12.777","0.003","14.431","0.003","83.71","0.03","74.74","0.03","88.56","0.03","2032.3","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H57 B9 Cl Na O6 Zr -","- C31 H57 B9 Cl Na O6 Zr -","- C62 H114 B18 Cl2 Na2 O12 Zr2 -","2","1","","Liu, Dongmei; Wang, Yaorong; Chan, Hoi-Shan; Tang, Yong; Xie, Zuowei","Synthesis, Structure, and Reactivity of Group 4 Metallacarboranes Bearing the Ligand [Me2C(C9H6)(C2B9H10)]3−","Organometallics","2008","27","20","5295","","10.1021/om800452f","","","0.71073","MoKα","","0.0891","0.0781","","","0.2208","0.2372","","","","","","1.131","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071893","27.994","0.006","14.806","0.003","17.521","0.004","90","","93.31","0.03","90","","7250","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C29 H43 B9 N O Zr -","- C29 H43 B9 N O Zr -","- C232 H344 B72 N8 O8 Zr8 -","8","1","","Liu, Dongmei; Wang, Yaorong; Chan, Hoi-Shan; Tang, Yong; Xie, Zuowei","Synthesis, Structure, and Reactivity of Group 4 Metallacarboranes Bearing the Ligand [Me2C(C9H6)(C2B9H10)]3−","Organometallics","2008","27","20","5295","","10.1021/om800452f","","","0.71073","MoKα","","0.0805","0.0741","","","0.2372","0.2444","","","","","","1.209","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071894","9.8791","0.0006","11.4486","0.0007","13.9799","0.0009","95.837","0.001","108.744","0.001","93.901","0.001","1480.99","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H42 B9 O2 Zr -","- C25 H42 B9 O2 Zr -","- C50 H84 B18 O4 Zr2 -","2","1","","Liu, Dongmei; Wang, Yaorong; Chan, Hoi-Shan; Tang, Yong; Xie, Zuowei","Synthesis, Structure, and Reactivity of Group 4 Metallacarboranes Bearing the Ligand [Me2C(C9H6)(C2B9H10)]3−","Organometallics","2008","27","20","5295","","10.1021/om800452f","","","0.71073","MoKα","","0.0932","0.0677","","","0.1746","0.2029","","","","","","1.019","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071895","7.3992","0.0001","12.9482","0.0003","15.2689","0.0003","90","","90","","90","","1462.86","0.05","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Fe N O2 -","- C17 H21 Fe N O2 -","- C68 H84 Fe4 N4 O8 -","4","1","","Tebben, Ludger; Bussmann, Kathrin; Hegemann, Michael; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Ferrocene-Derived Bioorganometallic Chemistry: Preparation of a [3]Ferrocenophane γ-Amino Acid for Use in Peptide Synthesis","Organometallics","2008","27","17","4269","","10.1021/om8004542","","","0.71073","MoKα","","0.0328","0.0289","","","0.068","0.0702","","","","","","1.03","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071896","6.4359","0.0005","12.0616","0.001","17.4155","0.0014","90","","96.456","0.004","90","","1343.34","0.19","173","2","173","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H23 Cl Pd -","- C13 H23 Cl Pd -","- C52 H92 Cl4 Pd4 -","4","1","","Esposito, Oriana; Gois, Pedro M. P.; de K. Lewis, Alexandra K.; Caddick, Stephen; Cloke, F. Geoffrey N.; Hitchcock, Peter B.","Alkylpalladium N-Heterocyclic Carbene Complexes: Synthesis, Reactivity, and Catalytic Properties","Organometallics","2008","27","24","6411","","10.1021/om800455h","","x-ray","0.71073","MoKα","","0.0821","0.06","","","0.1338","0.1476","","","","","","1.105","","","","has coordinates,has disorder","178607","2020-10-21","18:00:00",""
"4071897","12.3007","0.0002","18.7039","0.0002","19.5365","0.0003","90","","90","","90","","4494.78","0.11","173","2","173","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H62 Cl N2 P Pd -","- C48 H62 Cl N2 P Pd -","- C192 H248 Cl4 N8 P4 Pd4 -","4","1","","Esposito, Oriana; Gois, Pedro M. P.; de K. Lewis, Alexandra K.; Caddick, Stephen; Cloke, F. Geoffrey N.; Hitchcock, Peter B.","Alkylpalladium N-Heterocyclic Carbene Complexes: Synthesis, Reactivity, and Catalytic Properties","Organometallics","2008","27","24","6411","","10.1021/om800455h","","x-ray","0.71073","MoKα","","0.0395","0.0312","","","0.0597","0.0627","","","","","","1.035","","","","has coordinates,has disorder","178607","2020-10-21","18:00:00",""
"4071898","8.196","0.008","9.418","0.01","12.004","0.007","90","","93.13","0.06","90","","925.2","1.4","293","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 N2 -","- C20 H28 N2 -","- C40 H56 N4 -","2","1","","Grisi, Fabia; Costabile, Chiara; Gallo, Emanuela; Mariconda, Annaluisa; Tedesco, Consiglia; Longo, Pasquale","Ruthenium-Based Complexes Bearing Saturated Chiral N-Heterocyclic Carbene Ligands: Dynamic Behavior and Catalysis","Organometallics","2008","27","18","4649","","10.1021/om800459y","","","0.71069","MoKα","","0.1767","0.0515","","","0.0448","0.0502","","","","","","1.702","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071899","7.4997","0.0008","7.4997","0.0008","38.126","0.005","90","","90","","90","","2144.4","0.4","293","2","293","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C21 H27 B F4 N2 -","- C21 H27 B F4 N2 -","- C84 H108 B4 F16 N8 -","4","0.5","","Grisi, Fabia; Costabile, Chiara; Gallo, Emanuela; Mariconda, Annaluisa; Tedesco, Consiglia; Longo, Pasquale","Ruthenium-Based Complexes Bearing Saturated Chiral N-Heterocyclic Carbene Ligands: Dynamic Behavior and Catalysis","Organometallics","2008","27","18","4649","","10.1021/om800459y","","","1.5419","CuKα","","0.0795","0.0792","","","0.2608","0.2618","","","","","","1.409","","","","has coordinates","178607","2020-10-21","18:00:00",""
"4071900","11.3914","0.0017","12.7982","0.0019","13.092","0.0019","90.109","0.003","107.61","0.002","103.228","0.003","1765.7","0.5","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C34 H36 Cl6 N O2 Os P -","- C34 H32 Cl6 N O2 Os P -","- C68 H64 Cl12 N2 O4 Os2 P2 -","2","2","","Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","Osmium-Catalyzed Allylic Alkylation","Organometallics","2008","27","19","4892","","10.1021/om800460h","","","0.71073","MoKα","","0.0533","0.0459","","","0.1091","0.1131","","","","","","1.027","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071901","9.072","0.0015","16.049","0.003","8.2477","0.0014","90","","102.549","0.003","90","","1172.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 Cl2 O2 Os2 -","- C22 H34 Cl2 O2 Os2 -","- C44 H68 Cl4 O4 Os4 -","2","0.5","","Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","Osmium-Catalyzed Allylic Alkylation","Organometallics","2008","27","19","4892","","10.1021/om800460h","","","0.71073","MoKα","","0.0406","0.0302","","","0.0606","0.063","","","","","","0.951","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071902","12.114","0.002","12.583","0.002","14.151","0.003","90","","100.732","0.003","90","","2119.3","0.7","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O8 Os -","- C20 H28 O8 Os -","- C80 H112 O32 Os4 -","4","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","Osmium-Catalyzed Allylic Alkylation","Organometallics","2008","27","19","4892","","10.1021/om800460h","","","0.71073","MoKα","","0.0419","0.0316","","","0.0685","0.0716","","","","","","1.097","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071903","17.82","0.003","16.545","0.002","19.229","0.003","90","","90","","90","","5669.3","1.5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C29 H35 Cl N O6 Os P -","- C29 H35 Cl N O6 Os P -","- C232 H280 Cl8 N8 O48 Os8 P8 -","8","1","","Esteruelas, Miguel A.; García-Yebra, Cristina; Oliván, Montserrat; Oñate, Enrique; Valencia, Marta","Osmium-Catalyzed Allylic Alkylation","Organometallics","2008","27","19","4892","","10.1021/om800460h","","","0.71073","MoKα","","0.0716","0.0526","","","0.098","0.1039","","","","","","1.195","","","","has coordinates,has disorder","178608","2020-10-21","18:00:00",""
"4071904","9.1621","0.0003","11.634","0.0003","20.201","0.0005","83.907","0.0008","77.3","0.001","74.767","0.001","2024.1","0.1","203.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H34 Br Cl P2 Pt S -","- C42 H34 Br Cl P2 Pt S -","- C84 H68 Br2 Cl2 P4 Pt2 S2 -","2","1","","Kuniyasu, Hitoshi; Takekawa, Kazunobu; Yamashita, Fumikazu; Miyafuji, Kiyoshi; Asano, Shigehito; Takai, Yasutomo; Ohtaka, Atsushi; Tanaka, Aoi; Sugoh, Kunihiko; Kurosawa, Hideo; Kambe, Nobuaki","Insertion of Alkynes into an ArS−Pt Bond: Regio- and Stereoselective Thermal Reactions, Facilitation by “o-Halogen Effect” and Photoirradiation, Different Alkyne Preferences Depending on the Ancillary Ligand, and Application to a Catalytic Reaction","Organometallics","2008","27","18","4788","","10.1021/om800464y","","","0.7107","MoKα","","","0.0483","","","","0.1511","","","","","","2.548","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071905","12.731","0.002","10.829","0.002","33.907","0.005","90","0.01","92.26","0.01","90","0.01","4670.9","1.3","296.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H42 Cl4 P2 Pt S -","- C51 H42 Cl4 P2 Pt S -","- C204 H168 Cl16 P8 Pt4 S4 -","4","1","","Kuniyasu, Hitoshi; Takekawa, Kazunobu; Yamashita, Fumikazu; Miyafuji, Kiyoshi; Asano, Shigehito; Takai, Yasutomo; Ohtaka, Atsushi; Tanaka, Aoi; Sugoh, Kunihiko; Kurosawa, Hideo; Kambe, Nobuaki","Insertion of Alkynes into an ArS−Pt Bond: Regio- and Stereoselective Thermal Reactions, Facilitation by “o-Halogen Effect” and Photoirradiation, Different Alkyne Preferences Depending on the Ancillary Ligand, and Application to a Catalytic Reaction","Organometallics","2008","27","18","4788","","10.1021/om800464y","","","0.7107","MoKα","","","0.0459","","","","0.113","","","","","","1.411","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071906","8.1156","0.0004","16.984","0.001","11.5882","0.0006","90","","111.984","0.002","90","","1481.12","0.14","277.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H30 O4 S2 -","- C34 H30 O4 S2 -","- C68 H60 O8 S4 -","2","1","","Kuniyasu, Hitoshi; Takekawa, Kazunobu; Yamashita, Fumikazu; Miyafuji, Kiyoshi; Asano, Shigehito; Takai, Yasutomo; Ohtaka, Atsushi; Tanaka, Aoi; Sugoh, Kunihiko; Kurosawa, Hideo; Kambe, Nobuaki","Insertion of Alkynes into an ArS−Pt Bond: Regio- and Stereoselective Thermal Reactions, Facilitation by “o-Halogen Effect” and Photoirradiation, Different Alkyne Preferences Depending on the Ancillary Ligand, and Application to a Catalytic Reaction","Organometallics","2008","27","18","4788","","10.1021/om800464y","","","0.7107","MoKα","","","0.0472","","","","0.1167","","","","","","1.432","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071907","12.631","0.001","17.188","0.002","11.455","0.001","90.219","0.004","114.082","0.005","107.153","0.003","2147.4","0.4","296.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H44 O6 P2 Pt S -","- C46 H44 O6 P2 Pt S -","- C92 H88 O12 P4 Pt2 S2 -","2","1","","Kuniyasu, Hitoshi; Takekawa, Kazunobu; Yamashita, Fumikazu; Miyafuji, Kiyoshi; Asano, Shigehito; Takai, Yasutomo; Ohtaka, Atsushi; Tanaka, Aoi; Sugoh, Kunihiko; Kurosawa, Hideo; Kambe, Nobuaki","Insertion of Alkynes into an ArS−Pt Bond: Regio- and Stereoselective Thermal Reactions, Facilitation by “o-Halogen Effect” and Photoirradiation, Different Alkyne Preferences Depending on the Ancillary Ligand, and Application to a Catalytic Reaction","Organometallics","2008","27","18","4788","","10.1021/om800464y","","","0.7107","MoKα","","","0.0279","","","","0.0381","","","","","","1.184","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071908","10.635","0.002","10.736","0.002","15.299","0.003","82.214","0.002","88.185","0.002","64.197","0.002","1557.4","0.5","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H48 N O U -","- C36 H48 N O U -","- C72 H96 N2 O2 U2 -","2","1","","Graves, Christopher R.; Scott, Brian L.; Morris, David E.; Kiplinger, Jaqueline L.","Tetravalent and Pentavalent Uranium Acetylide Complexes Prepared by Oxidative Functionalization with CuCCPh","Organometallics","2008","27","14","3335","","10.1021/om800466m","","","0.71073","MoKα","","0.0558","0.0392","","","0.0716","0.077","","","","","","0.98","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071909","9.7134","0.0016","21.99","0.004","16.212","0.003","90","","104.659","0.002","90","","3350.1","1","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H45 N U -","- C40 H45 N U -","- C160 H180 N4 U4 -","4","1","","Graves, Christopher R.; Scott, Brian L.; Morris, David E.; Kiplinger, Jaqueline L.","Tetravalent and Pentavalent Uranium Acetylide Complexes Prepared by Oxidative Functionalization with CuCCPh","Organometallics","2008","27","14","3335","","10.1021/om800466m","","","0.71073","MoKα","","0.054","0.0342","","","0.0687","0.0758","","","","","","0.989","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071910","8.8502","0.0008","13.7431","0.0012","15.6238","0.0013","95.218","0.002","95.758","0.002","101.06","0.002","1843.8","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H52 O7 Os3 P2 Pt -","- C31 H52 O7 Os3 P2 Pt -","- C62 H104 O14 Os6 P4 Pt2 -","2","1","","Adams, Richard D.; Boswell, Erin M.; Hall, Michael B.; Yang, Xinzheng","Activation of Hydrogen and Related Small Molecules by the Unsaturated Cluster Complex PtOs3(CO)7(PBut3)(μ-PBut2)(μ4-CHCMeCH)","Organometallics","2008","27","19","4938","","10.1021/om800467v","","","0.71073","MoKα","","0.037","0.0349","","","0.0982","0.0994","","","","","","1.05","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071911","17.5041","0.001","19.0187","0.0011","19.5406","0.0011","90","","102.623","0.001","90","","6347.9","0.6","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C61 H78 Ge O7 Os3 P2 Pt -","- C61 H78 Ge O7 Os3 P2 Pt -","- C244 H312 Ge4 O28 Os12 P8 Pt4 -","4","1","","Adams, Richard D.; Boswell, Erin M.; Hall, Michael B.; Yang, Xinzheng","Activation of Hydrogen and Related Small Molecules by the Unsaturated Cluster Complex PtOs3(CO)7(PBut3)(μ-PBut2)(μ4-CHCMeCH)","Organometallics","2008","27","19","4938","","10.1021/om800467v","","","0.71073","MoKα","","0.0709","0.0435","","","0.1034","0.1259","","","","","","1.061","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071912","9.0338","0.0008","10.632","0.0009","15.8388","0.0014","79.472","0.002","82.389","0.002","84.241","0.002","1478","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 O7 Os3 P -","- C27 H29 O7 Os3 P -","- C54 H58 O14 Os6 P2 -","2","1","","Adams, Richard D.; Boswell, Erin M.; Hall, Michael B.; Yang, Xinzheng","Activation of Hydrogen and Related Small Molecules by the Unsaturated Cluster Complex PtOs3(CO)7(PBut3)(μ-PBut2)(μ4-CHCMeCH)","Organometallics","2008","27","19","4938","","10.1021/om800467v","","","0.71073","MoKα","","0.0532","0.0403","","","0.1005","0.1079","","","","","","1.044","","","","has coordinates,has disorder","178608","2020-10-21","18:00:00",""
"4071913","10.5224","0.0007","38.633","0.003","11.9173","0.0007","90","","102.497","0.001","90","","4729.7","0.6","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 N4 -","- C32 H26 N4 -","- C256 H208 N32 -","8","2","","Lowry, Roxy J.; Veige, Melanie K.; Clément, Olivier; Abboud, Khalil A.; Ghiviriga, Ion; Veige, Adam S.","New Constrained-Geometry C2-Symmetric Di-N-heterocyclic Carbene Ligands and Their Mono- and Dinuclear Rhodium(I) Complexes: Design, Synthesis, and Structural Analysis","Organometallics","2008","27","20","5184","5195","10.1021/om800471m","","","0.71073","MoKα","","0.0695","0.0416","","","0.0943","0.1028","","","","","","1","","","","has coordinates","210315","2020-10-21","18:00:00",""
"4071914","12.8891","0.0012","14.6531","0.0014","22.462","0.002","90","","104.806","0.002","90","","4101.4","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H46 I2 N4 O Rh2 -","- C42 H46 I2 N4 O Rh2 -","- C168 H184 I8 N16 O4 Rh8 -","4","1","","Lowry, Roxy J.; Veige, Melanie K.; Clément, Olivier; Abboud, Khalil A.; Ghiviriga, Ion; Veige, Adam S.","New Constrained-Geometry C2-Symmetric Di-N-heterocyclic Carbene Ligands and Their Mono- and Dinuclear Rhodium(I) Complexes: Design, Synthesis, and Structural Analysis","Organometallics","2008","27","20","5184","5195","10.1021/om800471m","","","0.71073","MoKα","","0.0622","0.038","","","0.0684","0.0746","","","","","","0.977","","","","has coordinates","210315","2020-10-21","18:00:00",""
"4071915","12.4529","0.0012","22.822","0.002","17.3074","0.0016","90","","101.42","0.002","90","","4821.4","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H54 Cl6 N4 Rh2 -","- C50 H54 Cl6 N4 Rh2 -","- C200 H216 Cl24 N16 Rh8 -","4","1","","Lowry, Roxy J.; Veige, Melanie K.; Clément, Olivier; Abboud, Khalil A.; Ghiviriga, Ion; Veige, Adam S.","New Constrained-Geometry C2-Symmetric Di-N-heterocyclic Carbene Ligands and Their Mono- and Dinuclear Rhodium(I) Complexes: Design, Synthesis, and Structural Analysis","Organometallics","2008","27","20","5184","5195","10.1021/om800471m","","","0.71073","MoKα","","0.0402","0.0354","","","0.0936","0.0969","","","","","","1.025","","","","has coordinates,has disorder","210315","2020-10-21","18:00:00",""
"4071916","10.7075","0.0011","30.42","0.003","12.1504","0.0012","90","","112.696","0.002","90","","3651.2","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H40 Cl2 I N4 Rh -","- C41 H40 Cl2 I N4 Rh -","- C164 H160 Cl8 I4 N16 Rh4 -","4","1","","Lowry, Roxy J.; Veige, Melanie K.; Clément, Olivier; Abboud, Khalil A.; Ghiviriga, Ion; Veige, Adam S.","New Constrained-Geometry C2-Symmetric Di-N-heterocyclic Carbene Ligands and Their Mono- and Dinuclear Rhodium(I) Complexes: Design, Synthesis, and Structural Analysis","Organometallics","2008","27","20","5184","5195","10.1021/om800471m","","","0.71073","MoKα","","0.1158","0.0496","","","0.0705","0.0824","","","","","","0.853","","","","has coordinates","210315","2020-10-21","18:00:00",""
"4071917","39.343","0.005","11.5742","0.0016","20.189","0.003","90","","111.91","0.003","90","","8529","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H25.5 Cl12.5 N4 -","- C30 H24 Cl2 N4 -","- C240 H192 Cl16 N32 -","8","1","","Lowry, Roxy J.; Veige, Melanie K.; Clément, Olivier; Abboud, Khalil A.; Ghiviriga, Ion; Veige, Adam S.","New Constrained-Geometry C2-Symmetric Di-N-heterocyclic Carbene Ligands and Their Mono- and Dinuclear Rhodium(I) Complexes: Design, Synthesis, and Structural Analysis","Organometallics","2008","27","20","5184","5195","10.1021/om800471m","","","0.71073","MoKα","","0.1186","0.0827","","","0.2146","0.2319","","","","","","0.953","","","","has coordinates","210315","2020-10-21","18:00:00",""
"4071918","9.43","0.0011","9.3303","0.0011","9.6272","0.0012","90","","90.282","0.002","90","","847.04","0.18","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H18 N4 -","- C22 H18 N4 -","- C44 H36 N8 -","2","1","","Lowry, Roxy J.; Veige, Melanie K.; Clément, Olivier; Abboud, Khalil A.; Ghiviriga, Ion; Veige, Adam S.","New Constrained-Geometry C2-Symmetric Di-N-heterocyclic Carbene Ligands and Their Mono- and Dinuclear Rhodium(I) Complexes: Design, Synthesis, and Structural Analysis","Organometallics","2008","27","20","5184","5195","10.1021/om800471m","","","0.71073","MoKα","","0.035","0.033","","","0.0843","0.0855","","","","","","1.037","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071919","15.3746","0.0014","18.3542","0.0016","12.656","0.001","90","","108.44","0.002","90","","3388","0.5","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","04217","","","- C22 H22 Cr -","- C22 H22 Cr -","- C176 H176 Cr8 -","8","2","","Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Pink, Maren; Brennessel, William W.; Young, Victor G.","Tunable Spin-Crossover Behavior in Polymethylated Bis(indenyl)chromium(II) Complexes: The Significance of Benzo-Ring Substitution","Organometallics","2008","27","21","5464","","10.1021/om800473z","","","0.71073","MoKα","","0.0458","0.0364","","","0.0835","0.0893","","","","","","1.042","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071920","7.372","0.004","8.565","0.005","8.586","0.005","69.977","0.008","74.027","0.008","73.589","0.009","478.9","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","03296a","","","- C24 H26 Cr -","- C24 H26 Cr -","- C24 H26 Cr -","1","0.5","","Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Pink, Maren; Brennessel, William W.; Young, Victor G.","Tunable Spin-Crossover Behavior in Polymethylated Bis(indenyl)chromium(II) Complexes: The Significance of Benzo-Ring Substitution","Organometallics","2008","27","21","5464","","10.1021/om800473z","","","0.71073","MoKα","","0.0644","0.06","","","0.1575","0.1678","","","","","","1.019","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071921","15.256","0.004","9.663","0.003","19.712","0.005","90","","96.277","0.004","90","","2888.5","1.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","03214a","","","- C24 H26 Cr -","- C24 H26 Cr -","- C144 H156 Cr6 -","6","1.5","","Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Pink, Maren; Brennessel, William W.; Young, Victor G.","Tunable Spin-Crossover Behavior in Polymethylated Bis(indenyl)chromium(II) Complexes: The Significance of Benzo-Ring Substitution","Organometallics","2008","27","21","5464","","10.1021/om800473z","","","0.71073","MoKα","","0.0447","0.0336","","","0.0901","0.0986","","","","","","1.046","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071922","15.492","0.004","9.721","0.002","19.969","0.004","90","","96.296","0.008","90","","2989.1","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","04007a","","","- C24 H26 Cr -","- C24 H26 Cr -","- C144 H156 Cr6 -","6","1.5","","Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Pink, Maren; Brennessel, William W.; Young, Victor G.","Tunable Spin-Crossover Behavior in Polymethylated Bis(indenyl)chromium(II) Complexes: The Significance of Benzo-Ring Substitution","Organometallics","2008","27","21","5464","","10.1021/om800473z","","","0.71073","MoKα","","0.0604","0.0394","","","0.1033","0.1188","","","","","","1.027","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071923","11.101","0.002","13.664","0.002","14.302","0.002","90","","93.237","0.002","90","","2165.9","0.6","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","00342","","","- C28 H34 Cr -","- C28 H34 Cr -","- C112 H136 Cr4 -","4","0.5","","Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Pink, Maren; Brennessel, William W.; Young, Victor G.","Tunable Spin-Crossover Behavior in Polymethylated Bis(indenyl)chromium(II) Complexes: The Significance of Benzo-Ring Substitution","Organometallics","2008","27","21","5464","","10.1021/om800473z","","","0.71073","MoKα","","0.1044","0.0847","","","0.2238","0.2341","","","","","","1.129","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071924","9.7128","0.0003","22.7762","0.0008","19.922","0.0007","90","","94.397","0.001","90","","4394.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C47 H50 B N8 O P Ru -","- C47 H50 B N8 O P Ru -","- C188 H200 B4 N32 O4 P4 Ru4 -","4","1","","Leung, Chung Wing; Zheng, Wenxu; Zhou, Zhongyuan; Lin, Zhenyang; Lau, Chak Po","Mechanism of Catalytic Hydration of Nitriles with Hydrotris(pyrazolyl)borato (Tp) Ruthenium Complexes","Organometallics","2008","27","19","4957","","10.1021/om800474w","","","0.71073","MoKα","","0.0625","0.0453","","","0.1044","0.1183","","","","","","1.002","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071925","14.216","0.003","13.421","0.003","17.806","0.004","90","","102.204","0.004","90","","3320.5","1.3","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H33 B N7 O2 P Ru -","- C34 H33 B N7 O2 P Ru -","- C136 H132 B4 N28 O8 P4 Ru4 -","4","1","","Leung, Chung Wing; Zheng, Wenxu; Zhou, Zhongyuan; Lin, Zhenyang; Lau, Chak Po","Mechanism of Catalytic Hydration of Nitriles with Hydrotris(pyrazolyl)borato (Tp) Ruthenium Complexes","Organometallics","2008","27","19","4957","","10.1021/om800474w","","","0.71073","MoKα","","0.1041","0.086","","","0.2099","0.2213","","","","","","1.002","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071926","8.053","0.0001","17.1793","0.0003","19.9944","0.0004","90","","101.063","0.001","90","","2714.72","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H74 B2 Mo2 N14 O5 -","- C48 H74 B2 Mo2 N14 O5 -","- C96 H148 B4 Mo4 N28 O10 -","2","0.5","","Cordiner, Richard L.; Hill, Anthony F.; Wagler, Jörg","Reactions of [Mo(CBr)(CO)2{HB(pzMe2)3}] (pz = pyrazol-1-yl) with Amines: Synthesis of Amino, Pyridinium, and Thiolato Carbyne Complexes","Organometallics","2008","27","17","4532","","10.1021/om8004756","","","0.71073","MoKα","","0.0533","0.0391","","","0.084","0.0876","","","","","","1.074","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071927","9.9952","0.0002","15.9318","0.0003","31.234","0.0006","90","","90","","90","","4973.75","0.17","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 B Mo N8 O2 -","- C22 H31 B Mo N8 O2 -","- C176 H248 B8 Mo8 N64 O16 -","8","2","","Cordiner, Richard L.; Hill, Anthony F.; Wagler, Jörg","Reactions of [Mo(CBr)(CO)2{HB(pzMe2)3}] (pz = pyrazol-1-yl) with Amines: Synthesis of Amino, Pyridinium, and Thiolato Carbyne Complexes","Organometallics","2008","27","17","4532","","10.1021/om8004756","","","0.71073","MoKα","","0.0367","0.0332","","","0.0748","0.0762","","","","","","1.093","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071928","14.9825","0.0003","15.8754","0.0003","19.5854","0.0004","90","","93.752","0.001","90","","4648.46","0.16","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C29 H36 B Br Cl12 Mo N8 O2 -","- C29 H36 B Br Cl12 Mo N8 O2 -","- C116 H144 B4 Br4 Cl48 Mo4 N32 O8 -","4","2","","Cordiner, Richard L.; Hill, Anthony F.; Wagler, Jörg","Reactions of [Mo(CBr)(CO)2{HB(pzMe2)3}] (pz = pyrazol-1-yl) with Amines: Synthesis of Amino, Pyridinium, and Thiolato Carbyne Complexes","Organometallics","2008","27","17","4532","","10.1021/om8004756","","","0.71073","MoKα","","0.0699","0.0483","","","0.1143","0.1226","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071929","10.7556","0.0002","14.796","0.0003","17.6052","0.0003","108.689","0.001","90.741","0.001","103.944","0.001","2563.34","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H27 B Mo N6 O2 S -","- C24 H27 B Mo N6 O2 S -","- C96 H108 B4 Mo4 N24 O8 S4 -","4","2","","Cordiner, Richard L.; Hill, Anthony F.; Wagler, Jörg","Reactions of [Mo(CBr)(CO)2{HB(pzMe2)3}] (pz = pyrazol-1-yl) with Amines: Synthesis of Amino, Pyridinium, and Thiolato Carbyne Complexes","Organometallics","2008","27","17","4532","","10.1021/om8004756","","","0.71073","MoKα","","0.057","0.0405","","","0.0939","0.0994","","","","","","1.027","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071930","9.952","0.0002","16.9385","0.0002","15.9761","0.0002","90","","92.829","0.001","90","","2689.84","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H39 B Mo N8 O3 -","- C24 H39 B Mo N8 O3 -","- C96 H156 B4 Mo4 N32 O12 -","4","1","","Cordiner, Richard L.; Hill, Anthony F.; Wagler, Jörg","Reactions of [Mo(CBr)(CO)2{HB(pzMe2)3}] (pz = pyrazol-1-yl) with Amines: Synthesis of Amino, Pyridinium, and Thiolato Carbyne Complexes","Organometallics","2008","27","17","4532","","10.1021/om8004756","","","0.71073","MoKα","","0.04","0.0294","","","0.0699","0.0736","","","","","","1.067","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071931","18.4351","0.0002","20.4054","0.0002","45.0092","0.0006","90","","100.51","0.03","90","","16647.3","1.7","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C72 H96 N8 O4 Sn4 -","- C72 H96 N8 O4 Sn4 -","- C576 H768 N64 O32 Sn32 -","8","1","","Padělková, Zdeňka; Nechaev, Mikhail S.; Černošek, Zdeněk; Brus, Jiří; Růžička, Aleš","Solvent-Controlled Ring Size in Double C,N-Chelated Stannoxanes⊥","Organometallics","2008","27","20","5303","","10.1021/om800476r","","","0.71073","MoKα","","0.1914","0.0769","","","0.1403","0.1802","","","","","","1.074","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071932","12.624","0.0011","35.226","0.0015","12.908","0.003","90","0.01","90","0.006","90","0.007","5740.1","1.4","150","1","150","1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C54 H72 N6 O3 Sn3 -","- C54 H72 N6 O3 Sn3 -","- C216 H288 N24 O12 Sn12 -","4","1","","Padělková, Zdeňka; Nechaev, Mikhail S.; Černošek, Zdeněk; Brus, Jiří; Růžička, Aleš","Solvent-Controlled Ring Size in Double C,N-Chelated Stannoxanes⊥","Organometallics","2008","27","20","5303","","10.1021/om800476r","","","0.71073","MoKα","","0.0709","0.0517","","","0.1078","0.1143","","","","","","1.129","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071933","25.3256","0.0009","9.5907","0.0008","16.5939","0.0008","90","","120.24","0.04","90","","3482","1.5","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 N4 O3 Sn2 -","- C36 H50 N4 O3 Sn2 -","- C144 H200 N16 O12 Sn8 -","4","0.5","","Padělková, Zdeňka; Nechaev, Mikhail S.; Černošek, Zdeněk; Brus, Jiří; Růžička, Aleš","Solvent-Controlled Ring Size in Double C,N-Chelated Stannoxanes⊥","Organometallics","2008","27","20","5303","","10.1021/om800476r","","","0.71073","MoKα","","0.076","0.0432","","","0.0716","0.0853","","","","","","1.09","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071934","8.9214","0.0005","14.2968","0.0008","13.1606","0.0007","90","","106.972","0.001","90","","1605.49","0.15","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H22 B9 Cl S Si -","- C6 H21 B9 Cl S Si -","- C24 H84 B36 Cl4 S4 Si4 -","4","1","","Meshcheryakov, Vladimir I.; Zheng, Chong; Kudinov, Alexander R.; Maguire, John A.; Hosmane, Narayan S.","Silicon(IV) and Germanium(IV) Moieties Stabilized by the Charge-Compensated Carborane Ligand [9-SMe2-7,8-C2B9H10]−: Synthetic and Structural Investigation","Organometallics","2008","27","19","5033","","10.1021/om8004788","","","0.71073","MoKα","","0.0572","0.0562","","","0.1821","0.185","","","","","","1.098","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071935","8.8368","0.0008","12.8117","0.0011","14.1838","0.0012","90","","90.913","0.001","90","","1605.6","0.2","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H22 B9 Cl Ge S -","- C6 H21 B9 Cl Ge S -","- C24 H84 B36 Cl4 Ge4 S4 -","4","1","","Meshcheryakov, Vladimir I.; Zheng, Chong; Kudinov, Alexander R.; Maguire, John A.; Hosmane, Narayan S.","Silicon(IV) and Germanium(IV) Moieties Stabilized by the Charge-Compensated Carborane Ligand [9-SMe2-7,8-C2B9H10]−: Synthetic and Structural Investigation","Organometallics","2008","27","19","5033","","10.1021/om8004788","","","0.71073","MoKα","","0.0352","0.0341","","","0.1109","0.112","","","","","","1.128","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071936","9.997","0.0002","12.2158","0.0002","12.7955","0.0002","90","","105.055","0.001","90","","1508.97","0.05","200","","200","","","","","","","","?","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 F8 P2 Pd -","- C36 H20 F8 P2 Pd -","- C72 H40 F16 P4 Pd2 -","2","0.5","","Bennett, Martin A.; Bhargava, Suresh K.; Keniry, Max A.; Privér, Steven H.; Simmonds, Peta M.; Wagler, Jörg; Willis, Anthony C.","A Triad of Bis(orthometalated) d8-Complexes Containing Four-Membered Rings","Organometallics","2008","27","20","5361","","10.1021/om8004806","","","0.71073","MoKα","","0.0275","0.0212","","0.029","0.0244","0.0244","","","","","","1.0688","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071937","10.0072","0.0002","12.2049","0.0002","12.7603","0.0002","90","","104.943","0.0011","90","","1505.8","0.05","200","","200","","","","","","","","local","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 F8 P2 Pt -","- C36 H20 F8 P2 Pt -","- C72 H40 F16 P4 Pt2 -","2","0.5","","Bennett, Martin A.; Bhargava, Suresh K.; Keniry, Max A.; Privér, Steven H.; Simmonds, Peta M.; Wagler, Jörg; Willis, Anthony C.","A Triad of Bis(orthometalated) d8-Complexes Containing Four-Membered Rings","Organometallics","2008","27","20","5361","","10.1021/om8004806","","","0.71073","MoKα","","0.0236","0.0156","","0.023","0.0189","0.0189","","","","","","1.0454","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071938","24.2624","0.0004","10.1948","0.0002","13.4835","0.0002","90","","113.567","0.0012","90","","3056.98","0.09","200","","200","","","","","","","","local","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H20 F8 P2 Pt -","- C36 H20 F8 P2 Pt -","- C144 H80 F32 P8 Pt4 -","4","0.5","","Bennett, Martin A.; Bhargava, Suresh K.; Keniry, Max A.; Privér, Steven H.; Simmonds, Peta M.; Wagler, Jörg; Willis, Anthony C.","A Triad of Bis(orthometalated) d8-Complexes Containing Four-Membered Rings","Organometallics","2008","27","20","5361","","10.1021/om8004806","","","0.71073","MoKα","","0.0204","0.0196","","0.0218","0.0211","0.0211","","","","","","1.133","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071939","15.2827","0.0005","10.0943","0.0003","24.4836","0.0008","90","","103.307","0.0012","90","","3675.6","0.2","200","","200","","","","","","","","local","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H20 F8 P2 Pt -","- C36 H20 F8 P2 Pt -","- C144 H80 F32 P8 Pt4 -","4","0.5","","Bennett, Martin A.; Bhargava, Suresh K.; Keniry, Max A.; Privér, Steven H.; Simmonds, Peta M.; Wagler, Jörg; Willis, Anthony C.","A Triad of Bis(orthometalated) d8-Complexes Containing Four-Membered Rings","Organometallics","2008","27","20","5361","","10.1021/om8004806","","","0.71073","MoKα","","0.0435","0.0342","","0.027","0.0261","0.0261","","","","","","1.1549","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071940","12.471","0.0003","12.3859","0.0003","20.0281","0.0004","90","","97.9282","0.0013","90","","3064.06","0.12","200","","200","","","","","","","","local","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H20 F8 Ni P2 -","- C36 H20 F8 Ni P2 -","- C144 H80 F32 Ni4 P8 -","4","1","","Bennett, Martin A.; Bhargava, Suresh K.; Keniry, Max A.; Privér, Steven H.; Simmonds, Peta M.; Wagler, Jörg; Willis, Anthony C.","A Triad of Bis(orthometalated) d8-Complexes Containing Four-Membered Rings","Organometallics","2008","27","20","5361","","10.1021/om8004806","","","0.71073","MoKα","","0.0644","0.0416","","0.0519","0.0468","0.0468","","","","","","1.0876","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071941","12.6153","0.0003","12.735","0.0002","17.2316","0.0004","81.818","0.001","79.226","0.001","75.125","0.001","2615.42","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H44 F8 Ni P4 -","- C62 H44 F8 Ni P4 -","- C124 H88 F16 Ni2 P8 -","2","1","","Bennett, Martin A.; Bhargava, Suresh K.; Keniry, Max A.; Privér, Steven H.; Simmonds, Peta M.; Wagler, Jörg; Willis, Anthony C.","A Triad of Bis(orthometalated) d8-Complexes Containing Four-Membered Rings","Organometallics","2008","27","20","5361","","10.1021/om8004806","","","0.71073","MoKα","","0.0477","0.0366","","","0.0906","0.0952","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071942","14.8947","0.0004","16.9283","0.0004","15.86","0.0005","90","","101.692","0.002","90","","3916","0.19","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H28 F8 N2 Ni P2 -","- C46 H28 F8 N2 Ni P2 -","- C184 H112 F32 N8 Ni4 P8 -","4","1","","Bennett, Martin A.; Bhargava, Suresh K.; Keniry, Max A.; Privér, Steven H.; Simmonds, Peta M.; Wagler, Jörg; Willis, Anthony C.","A Triad of Bis(orthometalated) d8-Complexes Containing Four-Membered Rings","Organometallics","2008","27","20","5361","","10.1021/om8004806","","","0.71073","MoKα","","0.059","0.0402","","","0.086","0.0923","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071943","12.6153","0.0003","12.735","0.0002","17.2316","0.0004","81.818","0.001","79.226","0.001","75.125","0.001","2615.42","0.1","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H44 F8 P4 Pt -","- C62 H44 F8 P4 Pt -","- C124 H88 F16 P8 Pt2 -","2","1","","Bennett, Martin A.; Bhargava, Suresh K.; Keniry, Max A.; Privér, Steven H.; Simmonds, Peta M.; Wagler, Jörg; Willis, Anthony C.","A Triad of Bis(orthometalated) d8-Complexes Containing Four-Membered Rings","Organometallics","2008","27","20","5361","","10.1021/om8004806","","","0.71073","MoKα","","0.0359","0.027","","","0.0541","0.0562","","","","","","1.022","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071944","9.6431","0.0001","12.5819","0.0001","26.2617","0.0003","90","","98.1043","0.0006","90","","3154.47","0.05","200","","200","","","","","","","","from RMITU","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H21.144 F8 O3.572 P2 -","- C37 H20 F8 O3.572 P2 -","- C148 H80 F32 O14.288 P8 -","4","1","","Bennett, Martin A.; Bhargava, Suresh K.; Keniry, Max A.; Privér, Steven H.; Simmonds, Peta M.; Wagler, Jörg; Willis, Anthony C.","A Triad of Bis(orthometalated) d8-Complexes Containing Four-Membered Rings","Organometallics","2008","27","20","5361","","10.1021/om8004806","","","0.71073","MoKα","","0.0607","0.0318","","0.1054","0.0773","0.1054","","","","","","0.9857","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071945","15.5879","0.0018","19.53","0.002","28.96","0.003","90","","102.972","0.002","90","","8591.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C85 H127 Mg2 O8 S2 -","- C85 H127 Mg2 O8 S2 -","- C340 H508 Mg8 O32 S8 -","4","1","","Wu, Jincai; Chen, Yi-Zhen; Hung, Wen-Chou; Lin, Chu-Chieh","Preparation, Characterization, and Catalytic Studies of Magnesium Phenoxides: Highly Active Initiators for Ring-Opening Polymerization ofl-Lactide","Organometallics","2008","27","19","4970","","10.1021/om800482j","","","0.71073","MoKα","","0.1535","0.0767","","","0.1804","0.1987","","","","","","1.341","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071946","19.5642","0.0012","19.5642","0.0012","19.5642","0.0012","101.023","0.001","101.023","0.001","101.023","0.001","7010.1","0.7","293","2","293","2","","","","","","","","5","R 3 :R","P 3*","146","","","","- C80 H116 Mg2 O8 S2 -","- C80 H116 Mg2 O8 S2 -","- C240 H348 Mg6 O24 S6 -","3","1","","Wu, Jincai; Chen, Yi-Zhen; Hung, Wen-Chou; Lin, Chu-Chieh","Preparation, Characterization, and Catalytic Studies of Magnesium Phenoxides: Highly Active Initiators for Ring-Opening Polymerization ofl-Lactide","Organometallics","2008","27","19","4970","","10.1021/om800482j","","","0.71073","MoKα","","0.1505","0.0853","","","0.1973","0.2257","","","","","","1.041","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071947","23.1133","0.0016","22.8161","0.0015","19.1247","0.0013","90","","109.399","0.001","90","","9512.9","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C92 H128 Cl2 Mg2 O8 S2 -","- C92 H128 Cl2 Mg2 O8 S2 -","- C368 H512 Cl8 Mg8 O32 S8 -","4","1","","Wu, Jincai; Chen, Yi-Zhen; Hung, Wen-Chou; Lin, Chu-Chieh","Preparation, Characterization, and Catalytic Studies of Magnesium Phenoxides: Highly Active Initiators for Ring-Opening Polymerization ofl-Lactide","Organometallics","2008","27","19","4970","","10.1021/om800482j","","","0.71073","MoKα","","0.2076","0.0773","","","0.1962","0.2328","","","","","","1.137","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071948","24.988","0.003","20.691","0.002","20.122","0.002","90","","115.113","0.002","90","","9420.2","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H57 F Mg O4 S -","- C47 H57 F Mg O4 S -","- C376 H456 F8 Mg8 O32 S8 -","8","1","","Wu, Jincai; Chen, Yi-Zhen; Hung, Wen-Chou; Lin, Chu-Chieh","Preparation, Characterization, and Catalytic Studies of Magnesium Phenoxides: Highly Active Initiators for Ring-Opening Polymerization ofl-Lactide","Organometallics","2008","27","19","4970","","10.1021/om800482j","","","0.71073","MoKα","","0.1121","0.0816","","","0.2544","0.2918","","","","","","1.098","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071949","14.1759","0.0011","14.8279","0.0012","15.2796","0.0011","104.389","0.002","116.698","0.001","98.781","0.001","2646.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C54.5 H58 Mg O5 S -","- C54.5 H58 Mg O5 S -","- C109 H116 Mg2 O10 S2 -","2","1","","Wu, Jincai; Chen, Yi-Zhen; Hung, Wen-Chou; Lin, Chu-Chieh","Preparation, Characterization, and Catalytic Studies of Magnesium Phenoxides: Highly Active Initiators for Ring-Opening Polymerization ofl-Lactide","Organometallics","2008","27","19","4970","","10.1021/om800482j","","","0.71073","MoKα","","0.1113","0.0818","","","0.2469","0.2706","","","","","","1.48","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071950","35.524","0.002","18.9707","0.0013","14.2179","0.0009","90","","110.549","0.001","90","","8972","1","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H47 Mg O5 S -","- C46 H47 Mg O5 S -","- C368 H376 Mg8 O40 S8 -","8","1","","Wu, Jincai; Chen, Yi-Zhen; Hung, Wen-Chou; Lin, Chu-Chieh","Preparation, Characterization, and Catalytic Studies of Magnesium Phenoxides: Highly Active Initiators for Ring-Opening Polymerization ofl-Lactide","Organometallics","2008","27","19","4970","","10.1021/om800482j","","","0.71073","MoKα","","0.1387","0.0616","","","0.1627","0.1997","","","","","","0.99","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071951","13.9706","0.0011","14.9301","0.0012","15.4703","0.0013","103.167","0.002","116.353","0.002","100.663","0.002","2659.8","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C52.5 H58.5 Cl Mg O5 S -","- C52.5 H58.5 Cl Mg O5 S -","- C105 H117 Cl2 Mg2 O10 S2 -","2","1","","Wu, Jincai; Chen, Yi-Zhen; Hung, Wen-Chou; Lin, Chu-Chieh","Preparation, Characterization, and Catalytic Studies of Magnesium Phenoxides: Highly Active Initiators for Ring-Opening Polymerization ofl-Lactide","Organometallics","2008","27","19","4970","","10.1021/om800482j","","","0.71073","MoKα","","0.1177","0.0613","","","0.164","0.1932","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071952","13.406","0.003","13.949","0.004","14.944","0.004","99.659","0.005","110.113","0.005","109.958","0.005","2334.2","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H62 Br Mg O5 S -","- C46 H62 Br Mg O5 S -","- C92 H124 Br2 Mg2 O10 S2 -","2","1","","Wu, Jincai; Chen, Yi-Zhen; Hung, Wen-Chou; Lin, Chu-Chieh","Preparation, Characterization, and Catalytic Studies of Magnesium Phenoxides: Highly Active Initiators for Ring-Opening Polymerization ofl-Lactide","Organometallics","2008","27","19","4970","","10.1021/om800482j","","","0.71073","MoKα","","0.2166","0.0885","","","0.2095","0.2508","","","","","","0.996","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071953","14.8665","0.0012","22.4247","0.0017","15.9899","0.0013","90","","100.39","0.002","90","","5243.3","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C51 H63 F Mg O7 S -","- C51 H63 F Mg O7 S -","- C204 H252 F4 Mg4 O28 S4 -","4","1","","Wu, Jincai; Chen, Yi-Zhen; Hung, Wen-Chou; Lin, Chu-Chieh","Preparation, Characterization, and Catalytic Studies of Magnesium Phenoxides: Highly Active Initiators for Ring-Opening Polymerization ofl-Lactide","Organometallics","2008","27","19","4970","","10.1021/om800482j","","","0.71073","MoKα","","0.0931","0.0612","","","0.1761","0.1925","","","","","","1.286","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071954","9.0367","0.0012","10.8324","0.0015","32.327","0.004","90","","90","","90","","3164.5","0.7","173.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C44 H32 N2 -","- C44 H32 N2 -","- C176 H128 N8 -","4","1","","Matsuzawa, Hiroshi; Tanabe, Yoshiaki; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Optically ActiveN,N,N′,N′-Tetraphenyl-1,1′-binaphthyl-2,2′-diamine Derivatives as Analogues of BINAP","Organometallics","2008","27","15","4021","","10.1021/om800485s","","","0.71075","MoKα","","","0.0419","","","","0.1739","","","","","","1","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071955","11.699","0.0009","10.6226","0.0007","16.698","0.0011","90","","106.573","0.002","90","","1988.9","0.2","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C50 H43 N3 O4 -","- C50 H43 N3 O4 -","- C100 H86 N6 O8 -","2","1","","Matsuzawa, Hiroshi; Tanabe, Yoshiaki; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Optically ActiveN,N,N′,N′-Tetraphenyl-1,1′-binaphthyl-2,2′-diamine Derivatives as Analogues of BINAP","Organometallics","2008","27","15","4021","","10.1021/om800485s","","","0.71075","MoKα","","","0.0449","","","","0.1135","","","","","","1","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071956","13.8106","0.0004","13.8106","0.0004","26.083","0.0008","90","","90","","90","","4974.9","0.3","173.1","","","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C60 H56 B2 F8 N2 Rh2 -","- C60 H56 B2 F8 N2 Rh2 -","- C240 H224 B8 F32 N8 Rh8 -","4","0.5","","Matsuzawa, Hiroshi; Tanabe, Yoshiaki; Miyake, Yoshihiro; Nishibayashi, Yoshiaki","Synthesis of Optically ActiveN,N,N′,N′-Tetraphenyl-1,1′-binaphthyl-2,2′-diamine Derivatives as Analogues of BINAP","Organometallics","2008","27","15","4021","","10.1021/om800485s","","","0.71075","MoKα","","","0.0459","","","","0.1054","","","","","","1","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071957","37.304","0.0009","16.6904","0.0003","8.9689","0.0002","90","","90","","90","","5584.2","0.2","180","1","180","1","","","","","","","","4","P c c n","-P 2ab 2ac","56","Compound 1","","","- C29 H40 Si2 Zr -","- C29 H40 Si2 Zr -","- C232 H320 Si16 Zr8 -","8","1","","Alonso-Moreno, Carlos; Lancaster, Simon J.; Wright, Joseph A.; Hughes, David L.; Zuccaccia, Cristiano; Correa, Andrea; Macchioni, Alceo; Cavallo, Luigi; Bochmann, Manfred","Ligand Mobility and Solution Structures of the Metallocenium Ion Pairs [Me2C(Cp)(fluorenyl)MCH2SiMe3+···X−] (M = Zr, Hf; X = MeB(C6F5)3, B(C6F5)4)","Organometallics","2008","27","21","5474","","10.1021/om800486p","","x-ray","0.71073","Mo-Kα","","0.1192","0.0642","","","0.1008","0.1121","","","","","","1.043","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071958","9.3987","0.0009","10.7366","0.001","18.2206","0.0015","90","","102.011","0.007","90","","1798.4","0.3","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Compound 4","{[2-(η^5^-Cyclopentadienyl)-2-(η^5^-fluorenyl)propane]}\ dimethylhafnium(IV)","","- C23 H24 Hf -","- C23 H24 Hf -","- C92 H96 Hf4 -","4","1","","Alonso-Moreno, Carlos; Lancaster, Simon J.; Wright, Joseph A.; Hughes, David L.; Zuccaccia, Cristiano; Correa, Andrea; Macchioni, Alceo; Cavallo, Luigi; Bochmann, Manfred","Ligand Mobility and Solution Structures of the Metallocenium Ion Pairs [Me2C(Cp)(fluorenyl)MCH2SiMe3+···X−] (M = Zr, Hf; X = MeB(C6F5)3, B(C6F5)4)","Organometallics","2008","27","21","5474","","10.1021/om800486p","","x-ray","0.71073","MoKα","","0.0684","0.0584","","","0.1305","0.1331","","","","","","1.258","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071959","9.2398","0.0006","10.7676","0.0006","18.156","0.003","90","","102.353","0.011","90","","1764.5","0.3","140","2","140","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound 5","Chloro{[2-(η^5^-cyclopentadienyl)-2-(η^5^-fluorenyl)propane]}\ methylzirconium(IV)","","- C22 H21 Cl Zr -","- C22 H21 Cl Zr -","- C88 H84 Cl4 Zr4 -","4","1","","Alonso-Moreno, Carlos; Lancaster, Simon J.; Wright, Joseph A.; Hughes, David L.; Zuccaccia, Cristiano; Correa, Andrea; Macchioni, Alceo; Cavallo, Luigi; Bochmann, Manfred","Ligand Mobility and Solution Structures of the Metallocenium Ion Pairs [Me2C(Cp)(fluorenyl)MCH2SiMe3+···X−] (M = Zr, Hf; X = MeB(C6F5)3, B(C6F5)4)","Organometallics","2008","27","21","5474","","10.1021/om800486p","","x-ray","0.71073","MoKα","","0.1266","0.0976","","","0.2724","0.2934","","","","","","1.105","","","","has coordinates,has disorder","178608","2020-10-21","18:00:00",""
"4071960","19.2514","0.0004","21.4494","0.0005","23.7189","0.0005","80.184","0.002","82.059","0.002","77.33","0.002","9364","0.4","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C146 H184 Ag8 F24 N24 O2 P4 -","- C146 H184 Ag8 F24 N24 O2 P4 -","- C292 H368 Ag16 F48 N48 O4 P8 -","2","1","","Scheele, Ulrich J.; Georgiou, Maria; John, Michael; Dechert, Sebastian; Meyer, Franc","Combining Pyrazolate and N-Heterocyclic Carbene Coordination Motifs: Synthesis and Characterization of a Double-Crowned Silver Complex","Organometallics","2008","27","19","5146","","10.1021/om800487e","","","0.71073","MoKα","","0.0706","0.0562","","","0.1506","0.1564","","","","","","1.03","","","","has coordinates,has disorder","178608","2020-10-21","18:00:00",""
"4071961","12.5681","0.0005","12.9967","0.0005","14.3012","0.0006","63.361","0.003","68.893","0.003","80.629","0.003","1947.95","0.15","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H86 Ag4 F12 N12 O4 P2 -","- C70 H86 Ag4 F12 N12 O4 P2 -","- C70 H86 Ag4 F12 N12 O4 P2 -","1","0.5","","Scheele, Ulrich J.; Georgiou, Maria; John, Michael; Dechert, Sebastian; Meyer, Franc","Combining Pyrazolate and N-Heterocyclic Carbene Coordination Motifs: Synthesis and Characterization of a Double-Crowned Silver Complex","Organometallics","2008","27","19","5146","","10.1021/om800487e","","","0.71073","MoKα","","0.0347","0.0288","","","0.0722","0.0745","","","","","","1.026","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071962","15.869","0.008","7.748","0.004","24.023","0.012","90","","98.136","0.002","90","","2924","3","123.1","","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C31 H38 N2 Ni O4 -","- C31 H38 N2 Ni O4 -","- C124 H152 N8 Ni4 O16 -","4","1","","Matsubara, Kouki; Miyazaki, Satoshi; Koga, Yuji; Nibu, Yoshinori; Hashimura, Takaaki; Matsumoto, Taisuke","An Unsaturated Nickel(0) NHC Catalyst: Facile Preparation and Structure of Ni(0)(NHC)2, Featuring a Reduction Process from Ni(II)(NHC)(acac)2","Organometallics","2008","27","22","6020","","10.1021/om800488x","","","0.7107","MoKα","","0.1186","0.0698","","","0.175","0.2029","","","","","","1.027","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071963","12.734","0.003","26.979","0.005","14.039","0.003","90","","92.5494","0.0005","90","","4818.3","1.8","123.1","","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H72 N4 Ni -","- C54 H72 N4 Ni -","- C216 H288 N16 Ni4 -","4","1","","Matsubara, Kouki; Miyazaki, Satoshi; Koga, Yuji; Nibu, Yoshinori; Hashimura, Takaaki; Matsumoto, Taisuke","An Unsaturated Nickel(0) NHC Catalyst: Facile Preparation and Structure of Ni(0)(NHC)2, Featuring a Reduction Process from Ni(II)(NHC)(acac)2","Organometallics","2008","27","22","6020","","10.1021/om800488x","","","0.7107","MoKα","","0.0752","0.0642","","","0.161","0.1687","","","","","","1.092","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071964","16.385","0.009","18.966","0.01","16.274","0.009","90","","92.407","0.007","90","","5053","5","173","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C76 H76 Cl4 F12 N4 O20 Rh4 S4 -","- C73 H76 Cl4 F3 N4 O11 Rh4 S -","- C146 H152 Cl8 F6 N8 O22 Rh8 S2 -","2","0.5","","Han, Ying-Feng; Jia, Wei-Guo; Lin, Yue-Jian; Jin, Guo-Xin","Stepwise Formation of Molecular Rectangles of Half-Sandwich Rhodium and Ruthenium Complexes Containing Bridging Chloranilate Ligands","Organometallics","2008","27","19","5002","","10.1021/om800490s","","","0.71073","MoKα","","0.1617","0.0964","","","0.246","0.2867","","","","","","1.024","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071965","21.293","0.006","10.919","0.003","23.103","0.007","90","","91.099","0.005","90","","5370","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C90 H96 Cl4 F12 N4 O24 Ru4 S4 -","- C90 H88 Cl4 F12 N4 O24 Ru4 S4 -","- C180 H176 Cl8 F24 N8 O48 Ru8 S8 -","2","0.5","","Han, Ying-Feng; Jia, Wei-Guo; Lin, Yue-Jian; Jin, Guo-Xin","Stepwise Formation of Molecular Rectangles of Half-Sandwich Rhodium and Ruthenium Complexes Containing Bridging Chloranilate Ligands","Organometallics","2008","27","19","5002","","10.1021/om800490s","","","0.71073","MoKα","","0.111","0.0619","","","0.1477","0.161","","","","","","0.872","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071966","19.72","0.02","14.441","0.015","20.72","0.02","90","","115.138","0.016","90","","5342","9","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C80 H76 Cl4 F12 N4 O20 Ru4 S4 -","- C80 H76 Cl4 F12 N4 O20 Ru4 S4 -","- C160 H152 Cl8 F24 N8 O40 Ru8 S8 -","2","0.5","","Han, Ying-Feng; Jia, Wei-Guo; Lin, Yue-Jian; Jin, Guo-Xin","Stepwise Formation of Molecular Rectangles of Half-Sandwich Rhodium and Ruthenium Complexes Containing Bridging Chloranilate Ligands","Organometallics","2008","27","19","5002","","10.1021/om800490s","","","0.71073","MoKα","","0.1339","0.0626","","","0.1453","0.1828","","","","","","0.865","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071967","15.4858","0.0001","8.3884","0.0001","21.9165","0.0002","90","","108.691","0.0004","90","","2696.82","0.04","173","1","173","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Cl4 O3 Si2 Ti2 -","- C20 H30 Cl4 O3 Si2 Ti2 -","- C80 H120 Cl16 O12 Si8 Ti8 -","4","0.5","","Postigo, Lorena; Vázquez, Ana B.; Sánchez-Nieves, Javier; Royo, Pascual; Herdtweck, Eberhardt","Mono- and Dinuclear Cyclopentadienylsiloxo Titanium Complexes: Synthesis, Reactivity, and Catalytic Polymerization Applications","Organometallics","2008","27","21","5588","","10.1021/om800492e","","","0.71073","MoKα","","0.0294","0.0252","","","0.0628","0.065","","","","","","1.061","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071968","9.0267","0.0004","36.3908","0.0002","14.5404","0.0008","90","","96.838","0.002","90","","4742.4","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H71 F5 P4 Pt2 -","- C41.004 H71 F5.004 P4 Pt2 -","- C164.016 H284 F20.016 P16 Pt8 -","4","1","","de Quadras, Laura; Shelton, Abigail H.; Kuhn, Helene; Hampel, Frank; Schanze, Kirk S.; Gladysz, John A.","Syntheses, Structures, and Electronic and Photophysical Properties of Unsymmetrically Substituted Butadiynediyl and Hexatriynediyl Complexes Derived from (C6F5)(R3P)2Pt, (p-tol)(R3P)2Pt, and (Ph3P)Au End-Groups","Organometallics","2008","27","19","4979","","10.1021/om800493x","","","0.71073","MoKα","","0.0839","0.0464","","","0.1099","0.1442","","","","","","1.113","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071969","11.9709","0.0001","17.1039","0.0002","18.2489","0.0002","78.335","0.001","88.17","0.001","72.149","0.001","3481.3","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H81 Cl2 F5 P4 Pt2 -","- C72.006 H81 Cl2 F5 P4 Pt2 -","- C144.012 H162 Cl4 F10 P8 Pt4 -","2","1","","de Quadras, Laura; Shelton, Abigail H.; Kuhn, Helene; Hampel, Frank; Schanze, Kirk S.; Gladysz, John A.","Syntheses, Structures, and Electronic and Photophysical Properties of Unsymmetrically Substituted Butadiynediyl and Hexatriynediyl Complexes Derived from (C6F5)(R3P)2Pt, (p-tol)(R3P)2Pt, and (Ph3P)Au End-Groups","Organometallics","2008","27","19","4979","","10.1021/om800493x","","","0.71073","MoKα","","0.039","0.0275","","","0.0696","0.0776","","","","","","1.04","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071970","12.6692","0.0004","13.6709","0.0003","25.2832","0.0008","78.011","0.002","87.011","0.001","89.648","0.002","4277.6","0.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C43.5 H49 Au F5 P3 Pt -","- C43.5 H45 Au F5 P3 Pt -","- C174 H180 Au4 F20 P12 Pt4 -","4","2","","de Quadras, Laura; Shelton, Abigail H.; Kuhn, Helene; Hampel, Frank; Schanze, Kirk S.; Gladysz, John A.","Syntheses, Structures, and Electronic and Photophysical Properties of Unsymmetrically Substituted Butadiynediyl and Hexatriynediyl Complexes Derived from (C6F5)(R3P)2Pt, (p-tol)(R3P)2Pt, and (Ph3P)Au End-Groups","Organometallics","2008","27","19","4979","","10.1021/om800493x","","","0.71073","MoKα","","0.0959","0.046","","","0.1127","0.1367","","","","","","0.967","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071971","13.5959","0.0002","11.4504","0.0002","30.672","0.0005","90","","90.788","0.001","90","","4774.52","0.13","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C43 H67 F5 P4 Pt2 -","- C43 H67 F5 P4 Pt2 -","- C172 H268 F20 P16 Pt8 -","4","1","","de Quadras, Laura; Shelton, Abigail H.; Kuhn, Helene; Hampel, Frank; Schanze, Kirk S.; Gladysz, John A.","Syntheses, Structures, and Electronic and Photophysical Properties of Unsymmetrically Substituted Butadiynediyl and Hexatriynediyl Complexes Derived from (C6F5)(R3P)2Pt, (p-tol)(R3P)2Pt, and (Ph3P)Au End-Groups","Organometallics","2008","27","19","4979","","10.1021/om800493x","","","0.71073","MoKα","","0.0529","0.0303","","","0.0749","0.0946","","","","","","1.082","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071972","12.4426","0.0002","13.8014","0.0002","20.2734","0.0003","97.111","0.001","100.399","0.001","91.925","0.001","3392.35","0.09","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C77 H78 B Cl3 N6 P2 Ru -","- C77 H78 B Cl3 N6 P2 Ru -","- C154 H156 B2 Cl6 N12 P4 Ru2 -","2","1","","Dabb, Serin L.; Messerle, Barbara A.; Wagler, Jörg","Formation of Metallacyclobutene Complexes via the Addition of Hydrazines to Ruthenium Vinylidene Complexes","Organometallics","2008","27","18","4657","","10.1021/om800494c","","","0.71073","MoKα","","0.0444","0.0327","","","0.0772","0.0805","","","","","","1.048","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071973","19.9209","0.0004","13.9488","0.0003","25.4091","0.0006","90","","92.96","0.001","90","","7051.1","0.3","250","2","250","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C78 H88 B Cl N6 O P2 Ru -","- C78 H88 B Cl N6 O P2 Ru -","- C312 H352 B4 Cl4 N24 O4 P8 Ru4 -","4","1","","Dabb, Serin L.; Messerle, Barbara A.; Wagler, Jörg","Formation of Metallacyclobutene Complexes via the Addition of Hydrazines to Ruthenium Vinylidene Complexes","Organometallics","2008","27","18","4657","","10.1021/om800494c","","","0.71073","MoKα","","0.0793","0.043","","","0.101","0.1118","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071974","29.5138","0.0009","19.7724","0.0006","26.3039","0.0006","90","","95.834","0.002","90","","15270.4","0.7","90","2","90","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C83 H106 B Cl N6 O3.5 P2 Ru -","- C83 H106 B Cl N6 O3.5 P2 Ru -","- C664 H848 B8 Cl8 N48 O28 P16 Ru8 -","8","1","","Dabb, Serin L.; Messerle, Barbara A.; Wagler, Jörg","Formation of Metallacyclobutene Complexes via the Addition of Hydrazines to Ruthenium Vinylidene Complexes","Organometallics","2008","27","18","4657","","10.1021/om800494c","","","0.71073","MoKα","","0.0784","0.0427","","","0.1033","0.1138","","","","","","1.06","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4071975","8.0388","","8.1586","","12.571","","91.974","","108.419","","109.78","","726.797","","","","293","","","","","","","","","7","P 1","P 1","1","","","","- C28 H27 Br2 Cl2 N2 P Pd -","- C28 H27 Br2 Cl2 N2 P Pd -","- C28 H27 Br2 Cl2 N2 P Pd -","1","1","","Schnitzler, Verena; Nonglaton, Guillaume; Roussière, Hélène; Maillet, Céline; Evain, Michel; Janvier, Pascal; Bujoli, Bruno; Petit, Marc","Nitrogen-Based Chirality Effects in Novel Mixed Phosphorus/Nitrogen Ligands Applied to Palladium-Catalyzed Allylic Substitutions","Organometallics","2008","27","22","5997","","10.1021/om800498a","","","0.71069","MoKα","","0.0483","0.0392","","","0.0923","0.0986","","","","1.45","1.45","1.49","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071976","10.3604","0.0009","19.119","0.0006","22.51","0.002","90","","90","","90","","4458.8","0.6","","","293","","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C43 H0 Br2 F6 N2 P Pd Sb -","- C43 H40 Br2 F6 N2 P Pd Sb -","- C172 H160 Br8 F24 N8 P4 Pd4 Sb4 -","4","1","","Schnitzler, Verena; Nonglaton, Guillaume; Roussière, Hélène; Maillet, Céline; Evain, Michel; Janvier, Pascal; Bujoli, Bruno; Petit, Marc","Nitrogen-Based Chirality Effects in Novel Mixed Phosphorus/Nitrogen Ligands Applied to Palladium-Catalyzed Allylic Substitutions","Organometallics","2008","27","22","5997","","10.1021/om800498a","","","0.71069","MoKα","","0.0867","0.0608","","","0.0666","0.0682","","","","1.92","1.92","1.79","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071977","7.0672","0.0003","11.0184","0.0013","46.319","0.005","90","","90","","90","","3606.8","0.6","293","","293","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H38 Br2 N2 O9 P S -","- C32 H28 Br2 N2 O9 P S -","- C128 H112 Br8 N8 O36 P4 S4 -","4","1","","Schnitzler, Verena; Nonglaton, Guillaume; Roussière, Hélène; Maillet, Céline; Evain, Michel; Janvier, Pascal; Bujoli, Bruno; Petit, Marc","Nitrogen-Based Chirality Effects in Novel Mixed Phosphorus/Nitrogen Ligands Applied to Palladium-Catalyzed Allylic Substitutions","Organometallics","2008","27","22","5997","","10.1021/om800498a","","","0.71069","MoKα","","0.106","0.0517","","","0.0918","0.1047","","","","1.29","1.29","1.17","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4071978","14.5885","0.0006","8.0976","0.0007","17.6573","0.0008","90","","105.287","0.003","90","","2012.1","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 Br O Ti -","- C20 H29 Br O Ti -","- C80 H116 Br4 O4 Ti4 -","4","1","","Manz, Thomas A.; Sharma, Shalini; Phomphrai, Khamphee; Novstrup, Krista A.; Fenwick, Andrew E.; Fanwick, Phillip E.; Medvedev, Grigori A.; Abu-Omar, Mahdi M.; Delgass, W. Nicholas; Thomson, Kendall T.; Caruthers, James M.","Quantitative Effects of Ion Pairing and Sterics on Chain Propagation Kinetics for 1-Hexene Polymerization Catalyzed by Mixed Cp′/ArO Complexes","Organometallics","2008","27","21","5504","","10.1021/om8004993","","","0.71073","MO-Kα","","0.054","0.039","","","0.111","0.118","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071979","11.056","0.0002","21.2786","0.0004","13.3141","0.0004","90","","99.77","0.001","90","","3086.8","0.12","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H34 O Ti -","- C41 H34 O Ti -","- C164 H136 O4 Ti4 -","4","1","","Manz, Thomas A.; Sharma, Shalini; Phomphrai, Khamphee; Novstrup, Krista A.; Fenwick, Andrew E.; Fanwick, Phillip E.; Medvedev, Grigori A.; Abu-Omar, Mahdi M.; Delgass, W. Nicholas; Thomson, Kendall T.; Caruthers, James M.","Quantitative Effects of Ion Pairing and Sterics on Chain Propagation Kinetics for 1-Hexene Polymerization Catalyzed by Mixed Cp′/ArO Complexes","Organometallics","2008","27","21","5504","","10.1021/om8004993","","","0.71073","MO-Kα","","0.091","0.059","","","0.105","0.116","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071980","11.3794","0.0003","12.5637","0.0006","14.6962","0.0007","70.816","0.002","67.903","0.003","74.723","0.003","1815","0.14","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C45 H45 O Zr -","- C45 H45 O Zr -","- C90 H90 O2 Zr2 -","2","1","","Manz, Thomas A.; Sharma, Shalini; Phomphrai, Khamphee; Novstrup, Krista A.; Fenwick, Andrew E.; Fanwick, Phillip E.; Medvedev, Grigori A.; Abu-Omar, Mahdi M.; Delgass, W. Nicholas; Thomson, Kendall T.; Caruthers, James M.","Quantitative Effects of Ion Pairing and Sterics on Chain Propagation Kinetics for 1-Hexene Polymerization Catalyzed by Mixed Cp′/ArO Complexes","Organometallics","2008","27","21","5504","","10.1021/om8004993","","","0.71073","MO-Kα","","0.054","0.038","","","0.093","0.107","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071981","32.9821","0.0009","9.0983","0.0004","16.435","0.0007","90","","101.449","0.002","90","","4833.7","0.3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H37 Br O Ti -","- C24 H37 Br O Ti -","- C192 H296 Br8 O8 Ti8 -","8","1","","Manz, Thomas A.; Sharma, Shalini; Phomphrai, Khamphee; Novstrup, Krista A.; Fenwick, Andrew E.; Fanwick, Phillip E.; Medvedev, Grigori A.; Abu-Omar, Mahdi M.; Delgass, W. Nicholas; Thomson, Kendall T.; Caruthers, James M.","Quantitative Effects of Ion Pairing and Sterics on Chain Propagation Kinetics for 1-Hexene Polymerization Catalyzed by Mixed Cp′/ArO Complexes","Organometallics","2008","27","21","5504","","10.1021/om8004993","","","0.71073","MO-Kα","","0.068","0.043","","","0.11","0.12","","","","","","1.031","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4071982","13.0103","0.0004","13.7274","0.0004","17.9609","0.0004","90","","128.559","0.002","90","","2508.37","0.14","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C70 H50 Ba -","- C70 H50 Ba -","- C140 H100 Ba2 -","2","0.5","","Deacon, Glen B.; Forsyth, Craig M.; Jaroschik, Florian; Junk, Peter C.; Kay, Danielle L.; Maschmeyer, Thomas; Masters, Anthony F.; Wang, Jun; Field, Leslie D.","Accessing Decaphenylmetallocenes of Ytterbium, Calcium, and Barium by Desolvation of Solvent-Separated Ion Pairs: Overcoming Adverse Solubility Properties#","Organometallics","2008","27","18","4772","","10.1021/om800501z","","","0.71073","MoKα","","0.0662","0.0365","","","0.074","0.0836","","","","","","1.013","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071983","10.346","0.0002","13.4649","0.0003","18.1324","0.0004","90","","95.586","0.001","90","","2513.99","0.09","123","2","123","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C70 H50 Yb -","- C70 H50 Yb -","- C140 H100 Yb2 -","2","0.5","","Deacon, Glen B.; Forsyth, Craig M.; Jaroschik, Florian; Junk, Peter C.; Kay, Danielle L.; Maschmeyer, Thomas; Masters, Anthony F.; Wang, Jun; Field, Leslie D.","Accessing Decaphenylmetallocenes of Ytterbium, Calcium, and Barium by Desolvation of Solvent-Separated Ion Pairs: Overcoming Adverse Solubility Properties#","Organometallics","2008","27","18","4772","","10.1021/om800501z","","","0.71073","MoKα","","0.0618","0.0302","","","0.0647","0.0741","","","","","","1.04","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071984","14.1148","0.0002","14.143","0.0002","24.0136","0.0006","79.845","0.001","75.352","0.001","88.167","0.001","4564.87","0.15","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C216 H252 O19 Yb2 -","- C216 H252 O19 Yb2 -","- C216 H252 O19 Yb2 -","1","0.5","","Deacon, Glen B.; Forsyth, Craig M.; Jaroschik, Florian; Junk, Peter C.; Kay, Danielle L.; Maschmeyer, Thomas; Masters, Anthony F.; Wang, Jun; Field, Leslie D.","Accessing Decaphenylmetallocenes of Ytterbium, Calcium, and Barium by Desolvation of Solvent-Separated Ion Pairs: Overcoming Adverse Solubility Properties#","Organometallics","2008","27","18","4772","","10.1021/om800501z","","","0.71073","MoKα","","0.088","0.0516","","","0.1006","0.113","","","","","","1.014","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4071985","11.585","0.002","11.753","0.003","14.228","0.002","90","","92.957","0.011","90","","1934.7","0.7","149","2","149","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 B4 N8 -","- C40 H56 B4 N8 -","- C80 H112 B8 N16 -","2","0.5","","Morawitz, Thorsten; Zhang, Fan; Bolte, Michael; Bats, Jan W.; Lerner, Hans-Wolfram; Wagner, Matthias","Di- and Tritopic Poly(pyrazol-1-yl)borate Ligands: Synthesis, Characterization, and Reactivity toward [Mn(CO)5Br]","Organometallics","2008","27","19","5067","","10.1021/om800504r","","","0.71073","MoKα","","0.1141","0.0563","","","0.1049","0.1224","","","","","","1.07","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071986","10.3347","0.0011","16.2699","0.0012","29.092","0.003","90","","91.446","0.009","90","","4890.1","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 K2 Mn4 N12 O14 -","- C38 H38 K2 Mn4 N12 O14 -","- C152 H152 K8 Mn16 N48 O56 -","4","1","","Morawitz, Thorsten; Zhang, Fan; Bolte, Michael; Bats, Jan W.; Lerner, Hans-Wolfram; Wagner, Matthias","Di- and Tritopic Poly(pyrazol-1-yl)borate Ligands: Synthesis, Characterization, and Reactivity toward [Mn(CO)5Br]","Organometallics","2008","27","19","5067","","10.1021/om800504r","","","0.71073","MoKα","","0.1126","0.04","","","0.0552","0.0651","","","","","","0.582","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071987","8.6293","0.0018","15.113","0.006","18.731","0.004","90","","101.906","0.017","90","","2390.2","1.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H58 B2 Li2 N8 O8 -","- C46 H58 B2 Li2 N8 O8 -","- C92 H116 B4 Li4 N16 O16 -","2","0.5","","Morawitz, Thorsten; Zhang, Fan; Bolte, Michael; Bats, Jan W.; Lerner, Hans-Wolfram; Wagner, Matthias","Di- and Tritopic Poly(pyrazol-1-yl)borate Ligands: Synthesis, Characterization, and Reactivity toward [Mn(CO)5Br]","Organometallics","2008","27","19","5067","","10.1021/om800504r","","","0.71073","MoKα","","0.3214","0.1093","","","0.205","0.2943","","","","","","0.872","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071988","9.8143","0.0007","13.4117","0.0011","14.9784","0.0012","88.404","0.006","75.817","0.006","69.459","0.006","1786.3","0.3","173","2","173","2","","","","","","","","7","P 1","P 1","1","","","","- C28 H38 Br Li Mn2 N4 O10 -","- C28 H38 Br Li Mn2 N4 O10 -","- C56 H76 Br2 Li2 Mn4 N8 O20 -","2","2","","Morawitz, Thorsten; Zhang, Fan; Bolte, Michael; Bats, Jan W.; Lerner, Hans-Wolfram; Wagner, Matthias","Di- and Tritopic Poly(pyrazol-1-yl)borate Ligands: Synthesis, Characterization, and Reactivity toward [Mn(CO)5Br]","Organometallics","2008","27","19","5067","","10.1021/om800504r","","","0.71073","MoKα","","0.0763","0.055","","","0.1183","0.128","","","","","","0.971","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071989","8.024","0.0012","10.0761","0.0014","11.0822","0.0016","88.784","0.011","70.959","0.011","84.598","0.012","843.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H28 B2 N4 -","- C14 H28 B2 N4 -","- C28 H56 B4 N8 -","2","1","","Morawitz, Thorsten; Zhang, Fan; Bolte, Michael; Bats, Jan W.; Lerner, Hans-Wolfram; Wagner, Matthias","Di- and Tritopic Poly(pyrazol-1-yl)borate Ligands: Synthesis, Characterization, and Reactivity toward [Mn(CO)5Br]","Organometallics","2008","27","19","5067","","10.1021/om800504r","","","0.71073","MoKα","","0.0721","0.0388","","","0.0801","0.0871","","","","","","0.856","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071990","6.7166","0.0006","12.7645","0.0008","9.7065","0.0007","90","","93.278","0.007","90","","830.82","0.11","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 B2 N4 -","- C14 H28 B2 N4 -","- C28 H56 B4 N8 -","2","0.5","","Morawitz, Thorsten; Zhang, Fan; Bolte, Michael; Bats, Jan W.; Lerner, Hans-Wolfram; Wagner, Matthias","Di- and Tritopic Poly(pyrazol-1-yl)borate Ligands: Synthesis, Characterization, and Reactivity toward [Mn(CO)5Br]","Organometallics","2008","27","19","5067","","10.1021/om800504r","","","0.71073","MoKα","","0.0514","0.0392","","","0.0977","0.1029","","","","","","1.03","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071991","8.507","0.0011","10.052","0.0013","15.1233","0.0017","85.667","0.01","78.556","0.01","66.589","0.009","1163.2","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H39 B3 N6 -","- C18 H39 B3 N6 -","- C36 H78 B6 N12 -","2","1","","Morawitz, Thorsten; Zhang, Fan; Bolte, Michael; Bats, Jan W.; Lerner, Hans-Wolfram; Wagner, Matthias","Di- and Tritopic Poly(pyrazol-1-yl)borate Ligands: Synthesis, Characterization, and Reactivity toward [Mn(CO)5Br]","Organometallics","2008","27","19","5067","","10.1021/om800504r","","","0.71073","MoKα","","0.0962","0.0862","","","0.2304","0.2338","","","","","","1.192","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071992","15.5531","0.0006","14.6474","0.0005","16.5291","0.0006","90","","103.423","0.003","90","","3662.7","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 B2 Cl2 Mn2 N12 O6 -","- C31 H24 B2 Cl2 Mn2 N12 O6 -","- C124 H96 B8 Cl8 Mn8 N48 O24 -","4","1","","Morawitz, Thorsten; Zhang, Fan; Bolte, Michael; Bats, Jan W.; Lerner, Hans-Wolfram; Wagner, Matthias","Di- and Tritopic Poly(pyrazol-1-yl)borate Ligands: Synthesis, Characterization, and Reactivity toward [Mn(CO)5Br]","Organometallics","2008","27","19","5067","","10.1021/om800504r","","","0.71073","MoKα","","0.0365","0.0335","","","0.0862","0.0881","","","","","","1.03","","","","has coordinates,has disorder","178608","2020-10-21","18:00:00",""
"4071993","11.6044","0.0014","11.6044","0.0014","23.935","0.004","90","","90","","120","","2791.3","0.7","173","2","173","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H22 B2 Mn2 N12 O6 -","- C29.96 H21.96 B2 Mn2 N12 O6 -","- C89.88 H65.88 B6 Mn6 N36 O18 -","3","0.166667","","Morawitz, Thorsten; Zhang, Fan; Bolte, Michael; Bats, Jan W.; Lerner, Hans-Wolfram; Wagner, Matthias","Di- and Tritopic Poly(pyrazol-1-yl)borate Ligands: Synthesis, Characterization, and Reactivity toward [Mn(CO)5Br]","Organometallics","2008","27","19","5067","","10.1021/om800504r","","","0.71073","MoKα","","0.1152","0.0645","","","0.148","0.1704","","","","","","0.994","","","","has coordinates,has disorder","178608","2020-10-21","18:00:00",""
"4071994","10.1742","0.0006","17.0682","0.001","19.9745","0.0012","83.934","0.005","89.307","0.005","83.283","0.005","3425.6","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H62 B3 Mn3 N18 O13 -","- C58 H62 B3 Mn3 N18 O13 -","- C116 H124 B6 Mn6 N36 O26 -","2","1","","Morawitz, Thorsten; Zhang, Fan; Bolte, Michael; Bats, Jan W.; Lerner, Hans-Wolfram; Wagner, Matthias","Di- and Tritopic Poly(pyrazol-1-yl)borate Ligands: Synthesis, Characterization, and Reactivity toward [Mn(CO)5Br]","Organometallics","2008","27","19","5067","","10.1021/om800504r","","","0.71073","MoKα","","0.1054","0.0709","","","0.1916","0.2105","","","","","","1.035","","","","has coordinates","178608","2020-10-21","18:00:00",""
"4071995","30.2192","0.0012","30.2192","0.0012","8.4832","0.0007","90","","90","","120","","6709","0.7","85","2","85","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C38 H34 B2 -","- C38 H34 B2 -","- C342 H306 B18 -","9","0.5","","Chen, Jinhui; Kampf, Jeff W.; Ashe, Arthur J.","Syntheses and Structures of 6,13-Dihydro-6,13-diborapentacenes: π-Stacking in Heterocyclic Analogues of Pentacene","Organometallics","2008","27","15","3639","","10.1021/om8005068","","","0.71073","MoKα","","0.0554","0.0494","","","0.1315","0.1385","","","","","","1.043","","","","has coordinates,has disorder","178608","2020-10-21","18:00:00",""
"4071996","3.9318","0.0015","19.055","0.007","10.609","0.004","90","","92.275","0.005","90","","794.2","0.5","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 B2 Br2 -","- C20 H12 B2 Br2 -","- C40 H24 B4 Br4 -","2","0.5","","Chen, Jinhui; Kampf, Jeff W.; Ashe, Arthur J.","Syntheses and Structures of 6,13-Dihydro-6,13-diborapentacenes: π-Stacking in Heterocyclic Analogues of Pentacene","Organometallics","2008","27","15","3639","","10.1021/om8005068","","","0.71073","MoKα","","0.0209","0.0182","","","0.0461","0.0472","","","","","","1.042","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071997","3.9678","0.0012","10.318","0.003","19.103","0.006","90","","91.268","0.004","90","","781.9","0.4","108","2","108","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 B2 -","- C22 H18 B2 -","- C44 H36 B4 -","2","0.5","","Chen, Jinhui; Kampf, Jeff W.; Ashe, Arthur J.","Syntheses and Structures of 6,13-Dihydro-6,13-diborapentacenes: π-Stacking in Heterocyclic Analogues of Pentacene","Organometallics","2008","27","15","3639","","10.1021/om8005068","","","0.71073","MoKα","","0.0593","0.0436","","","0.1252","0.1356","","","","","","1.065","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4071998","9.5777","0.0003","12.781","0.0006","16.0315","0.0008","90","","105.089","0.003","90","","1894.8","0.15","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 Al O -","- C22 H23 Al O -","- C88 H92 Al4 O4 -","4","1","","Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Synthesis and Properties of Calcium Tetraorganylalanates with [Me4−nAlPhn]−Anions","Organometallics","2008","27","19","5052","","10.1021/om800509p","","","0.71073","MoKα","","0.0936","0.0501","","","0.1123","0.1309","","","","","","1.02","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4071999","12.126","0.0004","7.552","0.0003","21.1946","0.0009","90","","100.231","0.003","90","","1910.05","0.13","183","2","183","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Al O -","- C22 H25 Al O -","- C88 H100 Al4 O4 -","4","1","","Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Synthesis and Properties of Calcium Tetraorganylalanates with [Me4−nAlPhn]−Anions","Organometallics","2008","27","19","5052","","10.1021/om800509p","","","0.71073","MoKα","","0.0746","0.047","","","0.111","0.1238","","","","","","1.015","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072000","9.5544","0.0003","14.2629","0.0005","19.1425","0.0005","108.701","0.002","102.449","0.002","92.823","0.002","2392.96","0.13","183","2","183","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H68 Al Ca I O6 -","- C48 H68 Al Ca I O6 -","- C96 H136 Al2 Ca2 I2 O12 -","2","1","","Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Synthesis and Properties of Calcium Tetraorganylalanates with [Me4−nAlPhn]−Anions","Organometallics","2008","27","19","5052","","10.1021/om800509p","","","0.71073","MoKα","","0.0886","0.0535","","","0.1173","0.1356","","","","","","0.961","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4072001","12.8483","0.0004","15.8241","0.0005","12.9309","0.0004","90","","90","0.003","90","","2629.02","0.14","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H80 Al2 Ca O6 -","- C52 H80 Al2 Ca O6 -","- C104 H160 Al4 Ca2 O12 -","2","0.5","","Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Synthesis and Properties of Calcium Tetraorganylalanates with [Me4−nAlPhn]−Anions","Organometallics","2008","27","19","5052","","10.1021/om800509p","","","0.71073","MoKα","","0.0945","0.055","","","0.1259","0.1461","","","","","","1.031","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072002","12.5891","0.0003","16.7864","0.0003","13.8631","0.0003","90","","93.245","0.001","90","","2924.93","0.11","183","2","183","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H92 Al2 Ca O6 -","- C56 H92 Al2 Ca O6 -","- C112 H184 Al4 Ca2 O12 -","2","0.5","","Krieck, Sven; Görls, Helmar; Westerhausen, Matthias","Synthesis and Properties of Calcium Tetraorganylalanates with [Me4−nAlPhn]−Anions","Organometallics","2008","27","19","5052","","10.1021/om800509p","","","0.71073","MoKα","","0.0678","0.0455","","","0.1123","0.1254","","","","","","0.992","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072003","9.9048","0.0004","16.2576","0.0005","17.4663","0.0005","90","","98.693","0.003","90","","2780.26","0.16","110","","180","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H50 O P2 Ru -","- C31 H50 O P2 Ru -","- C124 H200 O4 P8 Ru4 -","4","1","","Bolton, Paul D.; Grellier, Mary; Vautravers, Nicolas; Vendier, Laure; Sabo-Etienne, Sylviane","Access to Ruthenium(0) Carbonyl Complexes via Dehydrogenation of a Tricyclopentylphosphine Ligand and Decarbonylation of Alcohols","Organometallics","2008","27","19","5088","","10.1021/om8005118","","","0.71073","MoKα","","0.0319","0.028","","","0.067","0.0692","","","","","","1.058","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072004","14.1991","0.0004","13.1151","0.0004","16.3774","0.0005","90","","95.543","0.002","90","","3035.58","0.16","110","2","110","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H56 O P2 Ru -","- C31 H56 O P2 Ru -","- C124 H224 O4 P8 Ru4 -","4","1","","Bolton, Paul D.; Grellier, Mary; Vautravers, Nicolas; Vendier, Laure; Sabo-Etienne, Sylviane","Access to Ruthenium(0) Carbonyl Complexes via Dehydrogenation of a Tricyclopentylphosphine Ligand and Decarbonylation of Alcohols","Organometallics","2008","27","19","5088","","10.1021/om8005118","","","","MoKα","","0.0323","0.0252","","","0.0632","0.0675","","","","","","1.053","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072005","15.835","0.003","8.3164","0.0017","22.417","0.005","90","","98.27","0.03","90","","2921.4","1.1","110","","110","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H54 O P2 Ru -","- C31 H54 O P2 Ru -","- C124 H216 O4 P8 Ru4 -","4","1","","Bolton, Paul D.; Grellier, Mary; Vautravers, Nicolas; Vendier, Laure; Sabo-Etienne, Sylviane","Access to Ruthenium(0) Carbonyl Complexes via Dehydrogenation of a Tricyclopentylphosphine Ligand and Decarbonylation of Alcohols","Organometallics","2008","27","19","5088","","10.1021/om8005118","","","","MoKα","","0.0688","0.0587","","","0.1371","0.1405","","","","","","1.163","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072006","13.0141","0.0006","15.4869","0.0008","16.3101","0.0007","90","","110.853","0.004","90","","3071.9","0.3","110","","110","","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C33 H54 O P2 Ru -","- C33 H54 O P2 Ru -","- C132 H216 O4 P8 Ru4 -","4","2","","Bolton, Paul D.; Grellier, Mary; Vautravers, Nicolas; Vendier, Laure; Sabo-Etienne, Sylviane","Access to Ruthenium(0) Carbonyl Complexes via Dehydrogenation of a Tricyclopentylphosphine Ligand and Decarbonylation of Alcohols","Organometallics","2008","27","19","5088","","10.1021/om8005118","","","","MoKα","","0.0406","0.0353","","","0.09","0.0981","","","","","","1.039","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072007","9.682","0.0009","32.692","0.003","9.7121","0.0009","90","","93.996","0.008","90","","3066.6","0.5","110","","110","","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 O2 P2 Ru -","- C32 H56 O2 P2 Ru -","- C128 H224 O8 P8 Ru4 -","4","1","","Bolton, Paul D.; Grellier, Mary; Vautravers, Nicolas; Vendier, Laure; Sabo-Etienne, Sylviane","Access to Ruthenium(0) Carbonyl Complexes via Dehydrogenation of a Tricyclopentylphosphine Ligand and Decarbonylation of Alcohols","Organometallics","2008","27","19","5088","","10.1021/om8005118","","","","MoKα","","0.1466","0.0772","","","0.1106","0.1274","","","","","","1.113","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072008","8.9322","0.0003","11.5556","0.0005","11.6712","0.0005","109.128","0.002","107.747","0.002","93.895","0.003","1064.97","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H27 Cl N4 O Pd -","- C22 H27 Cl N4 O Pd -","- C44 H54 Cl2 N8 O2 Pd2 -","2","1","","Luzyanin, Konstantin V.; Pombeiro, Armando J. L.; Haukka, Matti; Kukushkin, Vadim Yu.","Coupling between 3-Iminoisoindolin-1-ones and Complexed Isonitriles as a Metal-Mediated Route to a Novel Type of Palladium and Platinum Iminocarbene Species","Organometallics","2008","27","20","5379","","10.1021/om800517c","","","0.71073","MoKα","","0.0451","0.0318","","","0.0631","0.0673","","","","","","1.054","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072009","8.3009","0.0003","12.4324","0.0006","12.7236","0.0007","74.722","0.003","77.042","0.003","85.816","0.003","1234.28","0.1","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 Cl3 N4 O Pt -","- C26 H21 Cl3 N4 O Pt -","- C52 H42 Cl6 N8 O2 Pt2 -","2","1","","Luzyanin, Konstantin V.; Pombeiro, Armando J. L.; Haukka, Matti; Kukushkin, Vadim Yu.","Coupling between 3-Iminoisoindolin-1-ones and Complexed Isonitriles as a Metal-Mediated Route to a Novel Type of Palladium and Platinum Iminocarbene Species","Organometallics","2008","27","20","5379","","10.1021/om800517c","","","0.71073","MoKα","","0.0613","0.0391","","","0.0649","0.071","","","","","","1.009","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072010","21.9505","0.0005","17.3228","0.0005","15.542","0.0004","90","","113.934","0.001","90","","5401.6","0.2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C56 H44 Cl N10 O8 Pt2 -","- C56 H40 Cl N10 O8 Pt2 -","- C224 H160 Cl4 N40 O32 Pt8 -","4","0.5","","Luzyanin, Konstantin V.; Pombeiro, Armando J. L.; Haukka, Matti; Kukushkin, Vadim Yu.","Coupling between 3-Iminoisoindolin-1-ones and Complexed Isonitriles as a Metal-Mediated Route to a Novel Type of Palladium and Platinum Iminocarbene Species","Organometallics","2008","27","20","5379","","10.1021/om800517c","","","0.71073","MoKα","","0.0611","0.0384","","","0.0838","0.0933","","","","","","1.068","","","","has coordinates,has disorder","178609","2020-10-21","18:00:00",""
"4072011","12.8519","0.0017","13.564","0.0018","11.3059","0.0015","90","","102.352","0.002","90","","1925.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 I Pd S2 -","- C20 H19 I Pd S2 -","- C80 H76 I4 Pd4 S8 -","4","1","","Grushin, Vladimir V.; Marshall, William J.","Fluorination of Nonactivated Haloarenes via Arynes under Mild Conditions, Resulting from Further Studies toward Ar−F Reductive Elimination from Palladium(II)","Organometallics","2008","27","19","4825","","10.1021/om800520e","","","0.71073","MoKα","","0.0271","0.0206","","","0.0431","0.0456","","","","","","1.042","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072012","17.195","0.008","11.49","0.006","9.75","0.005","90","","90","","90","","1926.3","1.7","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C16 H27 I Pd S2 -","- C16 H27 I Pd S2 -","- C64 H108 I4 Pd4 S8 -","4","1","","Grushin, Vladimir V.; Marshall, William J.","Fluorination of Nonactivated Haloarenes via Arynes under Mild Conditions, Resulting from Further Studies toward Ar−F Reductive Elimination from Palladium(II)","Organometallics","2008","27","19","4825","","10.1021/om800520e","","","0.71073","MoKα","","0.0497","0.0353","","","0.0673","0.074","","","","","","1.05","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072013","10.3572","0.0019","15.159","0.003","20.956","0.004","90","","101.254","0.003","90","","3226.9","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H33 I O Pd S2 -","- C37 H33 I O Pd S2 -","- C148 H132 I4 O4 Pd4 S8 -","4","1","","Grushin, Vladimir V.; Marshall, William J.","Fluorination of Nonactivated Haloarenes via Arynes under Mild Conditions, Resulting from Further Studies toward Ar−F Reductive Elimination from Palladium(II)","Organometallics","2008","27","19","4825","","10.1021/om800520e","","","0.71073","MoKα","","0.0704","0.0386","","","0.0691","0.0805","","","","","","1.009","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072014","19.064","0.003","11.8607","0.0016","10.9238","0.0015","90","","114.054","0.0018","90","","2255.5","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H29 I N6 P2 Pd -","- C18 H29 I N6 P2 Pd -","- C72 H116 I4 N24 P8 Pd4 -","4","0.5","","Grushin, Vladimir V.; Marshall, William J.","Fluorination of Nonactivated Haloarenes via Arynes under Mild Conditions, Resulting from Further Studies toward Ar−F Reductive Elimination from Palladium(II)","Organometallics","2008","27","19","4825","","10.1021/om800520e","","","0.71073","MoKα","","0.0289","0.0216","","","0.051","0.0546","","","","","","1.052","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072015","9.2235","0.0007","20.7854","0.0016","15.0618","0.0011","90","","92.457","0.001","90","","2884.9","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H30 F N P2 -","- C36 H30 F N P2 -","- C144 H120 F4 N4 P8 -","4","1","","Grushin, Vladimir V.; Marshall, William J.","Fluorination of Nonactivated Haloarenes via Arynes under Mild Conditions, Resulting from Further Studies toward Ar−F Reductive Elimination from Palladium(II)","Organometallics","2008","27","19","4825","","10.1021/om800520e","","","0.71073","MoKα","","0.0569","0.0396","","","0.0958","0.1053","","","","","","1.033","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072016","10.2345","0.0002","11.6447","0.0002","14.6854","0.0003","97.484","0.001","90.52","0.001","91.588","0.001","1734.45","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H32 Cl2 N2 Pt Si -","- C37 H32 Cl2 N2 Pt Si -","- C74 H64 Cl4 N4 Pt2 Si2 -","2","1","","West, Nathan M.; White, Peter S.; Templeton, Joseph L.","Alkyne Insertion into the Pt−H Bond of Pt(H)(1-pentene)(β-diiminate) Initiates a Reaction Cascade That Results in C−H Activation or C−C Coupling","Organometallics","2008","27","20","5252","","10.1021/om800521x","","","0.71073","MoKα","","0.0314","0.0274","","","0.0733","0.0751","","","","","","1.101","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072017","12.6224","0.0005","9.555","0.0004","20.1223","0.0008","90","","91.486","0.002","90","","2426.07","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 Cl2 N2 O Pt Si -","- C23 H26 Cl2 N2 O Pt Si -","- C92 H104 Cl8 N8 O4 Pt4 Si4 -","4","1","","West, Nathan M.; White, Peter S.; Templeton, Joseph L.","Alkyne Insertion into the Pt−H Bond of Pt(H)(1-pentene)(β-diiminate) Initiates a Reaction Cascade That Results in C−H Activation or C−C Coupling","Organometallics","2008","27","20","5252","","10.1021/om800521x","","","1.54178","CuKα","","0.0278","0.0256","","","0.0615","0.0626","","","","","","1.139","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072018","9.233","0.0013","12.9405","0.0019","14.769","0.002","90","","90","","90","","1764.6","0.4","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 Cl3 Cr N4 S -","- C13 H20 Cl3 Cr N4 S -","- C52 H80 Cl12 Cr4 N16 S4 -","4","1","","Zhang, Jun; Braunstein, Pierre; Hor, T. S. Andy","Highly Selective Chromium(III) Ethylene Trimerization Catalysts with [NON] and [NSN] Heteroscorpionate Ligands","Organometallics","2008","27","17","4277","","10.1021/om8005239","","","0.71073","MoKα","","0.0308","0.029","","","0.067","0.0678","","","","","","1.059","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072019","10.053","0.001","16.831","0.0016","13.9668","0.0015","90","","103.847","0.002","90","","2294.5","0.4","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 Cl3 Cr N5 O -","- C20 H25 Cl3 Cr N5 O -","- C80 H100 Cl12 Cr4 N20 O4 -","4","1","","Zhang, Jun; Braunstein, Pierre; Hor, T. S. Andy","Highly Selective Chromium(III) Ethylene Trimerization Catalysts with [NON] and [NSN] Heteroscorpionate Ligands","Organometallics","2008","27","17","4277","","10.1021/om8005239","","","0.71073","MoKα","","0.076","0.0588","","","0.1186","0.125","","","","","","1.144","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072020","7.961","0.002","11.374","0.003","14.41","0.003","80.274","0.005","80.161","0.005","78.185","0.005","1246.2","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 N2 -","- C32 H30 N2 -","- C64 H60 N4 -","2","1","","Chen, Jingjin; Li, Yuxue; Gao, Hongjun; Liu, Yuanhong","Carbon−Carbon Bond Formation of α-Alkynylzirconacyclopentenes via Cyclization or a Cu/Pd-Mediated Cyclization/Cross-Coupling Sequence with Aryl Iodides","Organometallics","2008","27","21","5619","","10.1021/om8005245","","","0.71073","MoKα","","0.1377","0.0513","","","0.0978","0.118","","","","","","0.669","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072021","6.4454","0.0014","11.125","0.003","15.38","0.003","92.479","0.004","92.629","0.004","95.834","0.005","1094.7","0.4","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C30 H24 -","- C30 H24 -","- C60 H48 -","2","1","","Chen, Jingjin; Li, Yuxue; Gao, Hongjun; Liu, Yuanhong","Carbon−Carbon Bond Formation of α-Alkynylzirconacyclopentenes via Cyclization or a Cu/Pd-Mediated Cyclization/Cross-Coupling Sequence with Aryl Iodides","Organometallics","2008","27","21","5619","","10.1021/om8005245","","","0.71073","MoKα","","0.1502","0.0853","","","0.1964","0.2253","","","","","","0.833","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072022","11.9102","0.0014","20.915","0.002","15.2058","0.0017","90","","104.396","0.002","90","","3668.9","0.7","293","2","293","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C10.86 H16.86 P0.86 -","- C10.8571 H16.8571 P0.857143 -","- C152 H236 P12 -","14","3.5","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Marchione, Alexander A.; Howe, Laurie A.; Davidson, Fredric; McEwen, Charles N.","Dual Supermesityl Stabilization: 1-Alkyl-1H-[1,2,4]triphospholes, with Among the Most Planar and Least Sterically Hindered σ3,λ3-Phosphorus Atoms, and Novel C2P3S4Folded Heterocycles†","Organometallics","2008","27","19","5118","","10.1021/om800528g","","","0.71073","MoKα","","0.1389","0.0728","","","0.1765","0.2096","","","","","","1.032","","","","has coordinates,has disorder","178609","2020-10-21","18:00:00",""
"4072023","21.285","0.004","12.164","0.002","29.355","0.005","90","","90","","90","","7600","2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C39 H61 P3 -","- C38.777 H59.233 P3 -","- C310.216 H473.864 P24 -","8","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Marchione, Alexander A.; Howe, Laurie A.; Davidson, Fredric; McEwen, Charles N.","Dual Supermesityl Stabilization: 1-Alkyl-1H-[1,2,4]triphospholes, with Among the Most Planar and Least Sterically Hindered σ3,λ3-Phosphorus Atoms, and Novel C2P3S4Folded Heterocycles†","Organometallics","2008","27","19","5118","","10.1021/om800528g","","","0.71073","MoKα","","0.1287","0.0899","","","0.2429","0.2802","","","","","","1.02","","","","has coordinates,has disorder","178609","2020-10-21","18:00:00",""
"4072024","13.659","0.005","11.857","0.005","25.308","0.014","90","","90","","90","","4099","3","293","2","293","2","","","","","","","","3","C m c a","-C 2ac 2","64","","","","- C45 H65 P3 -","- C45 H40 P3 -","- C180 H160 P12 -","4","","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Marchione, Alexander A.; Howe, Laurie A.; Davidson, Fredric; McEwen, Charles N.","Dual Supermesityl Stabilization: 1-Alkyl-1H-[1,2,4]triphospholes, with Among the Most Planar and Least Sterically Hindered σ3,λ3-Phosphorus Atoms, and Novel C2P3S4Folded Heterocycles†","Organometallics","2008","27","19","5118","","10.1021/om800528g","","","0.71073","MoKα","","0.1368","0.1064","","","0.2951","0.3239","","","","","","1.08","","","","has coordinates,has disorder","178609","2020-10-21","18:00:00",""
"4072025","38.65","0.009","11.962","0.003","39.259","0.015","90","","92.036","0.003","90","","18139","9","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C45 H65 P3 S4 -","- C45 H65 P3 S4 -","- C720 H1040 P48 S64 -","16","2","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.; Marchione, Alexander A.; Howe, Laurie A.; Davidson, Fredric; McEwen, Charles N.","Dual Supermesityl Stabilization: 1-Alkyl-1H-[1,2,4]triphospholes, with Among the Most Planar and Least Sterically Hindered σ3,λ3-Phosphorus Atoms, and Novel C2P3S4Folded Heterocycles†","Organometallics","2008","27","19","5118","","10.1021/om800528g","","","0.71073","MoKα","","0.1982","0.1844","","","0.422","0.4252","","","","","","2.83","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072026","9.6514","0.0009","18.1834","0.0017","18.2284","0.0017","64.197","0.01","89.612","0.011","74.763","0.011","2757.4","0.5","180","","180","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C24 H B F21 N6 Tl -","- C24 H B F21 N6 Tl -","- C96 H4 B4 F84 N24 Tl4 -","4","2","","Despagnet-Ayoub, Emmanuelle; Jacob, Kane; Vendier, Laure; Etienne, Michel; Álvarez, Eleuterio; Caballero, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.","A New Perfluorinated F21-Tp Scorpionate Ligand: Enhanced Alkane Functionalization by Carbene Insertion with (F21-Tp)M Catalysts (M = Cu, Ag)","Organometallics","2008","27","18","4779","","10.1021/om800531a","","","0.71073","MoKα","","0.0697","0.0557","","","0.1468","0.1561","","","","","","1.017","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072027","17.9262","0.001","17.6733","0.001","9.2157","0.0006","90","","95.485","0.003","90","","2906.3","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H4 B Cu F21 N7 -","- C26 H4 B Cu F21 N7 -","- C104 H16 B4 Cu4 F84 N28 -","4","1","","Despagnet-Ayoub, Emmanuelle; Jacob, Kane; Vendier, Laure; Etienne, Michel; Álvarez, Eleuterio; Caballero, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.","A New Perfluorinated F21-Tp Scorpionate Ligand: Enhanced Alkane Functionalization by Carbene Insertion with (F21-Tp)M Catalysts (M = Cu, Ag)","Organometallics","2008","27","18","4779","","10.1021/om800531a","","","0.71073","MoKα","","0.0351","0.0273","","","0.0615","0.0647","","","","","","1.002","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072028","9.415","0.0006","11.6353","0.0008","28.0159","0.0016","90","","94","0.003","90","","3061.6","0.3","180","","180","","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H B Cu F21 N6 O -","- C25 H B Cu F21 N6 O -","- C100 H4 B4 Cu4 F84 N24 O4 -","4","1","","Despagnet-Ayoub, Emmanuelle; Jacob, Kane; Vendier, Laure; Etienne, Michel; Álvarez, Eleuterio; Caballero, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.","A New Perfluorinated F21-Tp Scorpionate Ligand: Enhanced Alkane Functionalization by Carbene Insertion with (F21-Tp)M Catalysts (M = Cu, Ag)","Organometallics","2008","27","18","4779","","10.1021/om800531a","","","","MoKα","","0.0743","0.0456","","","0.1067","0.1161","","","","","","1.053","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072029","9.311","0.0006","11.5542","0.0009","27.9217","0.0019","90","","94.789","0.006","90","","2993.4","0.4","180","","180","","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H Ag B F21 N6 O -","- C25 H Ag B F21 N6 O -","- C100 H4 Ag4 B4 F84 N24 O4 -","4","1","","Despagnet-Ayoub, Emmanuelle; Jacob, Kane; Vendier, Laure; Etienne, Michel; Álvarez, Eleuterio; Caballero, Ana; Díaz-Requejo, M. Mar; Pérez, Pedro J.","A New Perfluorinated F21-Tp Scorpionate Ligand: Enhanced Alkane Functionalization by Carbene Insertion with (F21-Tp)M Catalysts (M = Cu, Ag)","Organometallics","2008","27","18","4779","","10.1021/om800531a","","","0.71073","MoKα","","0.0458","0.0341","","","0.0796","0.0865","","","","","","1.109","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072030","7.0165","0.0012","9.8852","0.0016","12.375","0.002","90","","90.44","0.003","90","","858.3","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C4 H22 B20 -","- C4 H22 B20 -","- C8 H44 B40 -","2","0.5","","Ren, Shikuo; Xie, Zuowei","A Facile and Practical Synthetic Route to 1,1′-Bis(o-carborane)","Organometallics","2008","27","19","5167","","10.1021/om8005323","","","0.71073","MoKα","","0.0916","0.0688","","","0.2103","0.2311","","","","","","1.114","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072031","7.036","0.003","9.412","0.003","11.529","0.004","92.363","0.007","95.143","0.008","105.407","0.007","731.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H36 B20 Cu2 -","- C18 H36 B20 Cu2 -","- C18 H36 B20 Cu2 -","1","0.5","","Ren, Shikuo; Xie, Zuowei","A Facile and Practical Synthetic Route to 1,1′-Bis(o-carborane)","Organometallics","2008","27","19","5167","","10.1021/om8005323","","","0.71073","MoKα","","0.0552","0.0439","","","0.1207","0.13","","","","","","1.08","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072032","10.8815","0.0004","14.5747","0.0007","19.4944","0.0008","90","","90","","90","","3091.7","0.2","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N4 -","- C18 H18 N4 -","- C144 H144 N32 -","8","2","","Ros, Abel; Alcarazo, Manuel; Iglesias-Sigüenza, Javier; Díez, Elena; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Stereoselective Synthesis of Rhodium(I) 4-(Dialkylamino)triazol-5-ylidene Complexes","Organometallics","2008","27","18","4555","","10.1021/om800533g","","","0.71073","MoKα","","0.0646","0.0481","","","0.1176","0.1269","","","","","","1.033","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072033","8.6322","0.0002","16.3296","0.0003","9.2517","0.0002","90","","109.21","0.001","90","","1231.51","0.05","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H32 Cl N4 Rh -","- C27 H32 Cl N4 Rh -","- C54 H64 Cl2 N8 Rh2 -","2","1","","Ros, Abel; Alcarazo, Manuel; Iglesias-Sigüenza, Javier; Díez, Elena; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Stereoselective Synthesis of Rhodium(I) 4-(Dialkylamino)triazol-5-ylidene Complexes","Organometallics","2008","27","18","4555","","10.1021/om800533g","","","0.71073","MoKα","","0.0174","0.0164","","","0.0404","0.0409","","","","","","1.049","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072034","13.6299","0.0018","18.071","0.003","18.99","0.003","90","","101.484","0.004","90","","4583.7","1.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H23 Cl N4 O4 -","- C24 H23 Cl N4 O4 -","- C192 H184 Cl8 N32 O32 -","8","4","","Ros, Abel; Alcarazo, Manuel; Iglesias-Sigüenza, Javier; Díez, Elena; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Stereoselective Synthesis of Rhodium(I) 4-(Dialkylamino)triazol-5-ylidene Complexes","Organometallics","2008","27","18","4555","","10.1021/om800533g","","","0.71073","MoKα","","0.0922","0.0682","","","0.1758","0.1938","","","","","","1.046","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4072035","10.9659","0.0013","14.9455","0.0017","23.038","0.002","90","","90","","90","","3775.7","0.7","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C37 H50 F6 N4 Rh S Sb -","- C37 H50 F6 N4 Rh S Sb -","- C148 H200 F24 N16 Rh4 S4 Sb4 -","4","1","","Ros, Abel; Alcarazo, Manuel; Iglesias-Sigüenza, Javier; Díez, Elena; Álvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M.","Stereoselective Synthesis of Rhodium(I) 4-(Dialkylamino)triazol-5-ylidene Complexes","Organometallics","2008","27","18","4555","","10.1021/om800533g","","","0.71073","MoKα","","0.0362","0.0295","","","0.0511","0.0525","","","","","","1.021","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072036","21.522","0.004","14.461","0.003","19.434","0.004","90","","116.31","0.003","90","","5421.9","1.9","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47.33 H69.66 B2 Cl0.66 F8 N3 Os P2 -","- C47.33 H69.66 B2 Cl0.66 F8 N3 Os P2 -","- C189.32 H278.64 B8 Cl2.64 F32 N12 Os4 P8 -","4","1","","Bolaño, Tamara; Castarlenas, Ricardo; Esteruelas, Miguel A.; Oñate, Enrique","Formation of an Asymmetric Acyclic Osmium−Dienylcarbene Complex","Organometallics","2008","27","23","6367","","10.1021/om800535t","","","0.71073","MoKα","","0.1607","0.0637","","","0.1343","0.1613","","","","","","0.862","","","","has coordinates,has disorder","178609","2020-10-21","18:00:00",""
"4072037","8.52","0.003","18.126","0.006","10.723","0.003","90","","107.28","0.006","90","","1581.2","0.9","298","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H42 Fe2 O Si4 -","- C30 H42 Fe2 O Si4 -","- C60 H84 Fe4 O2 Si8 -","2","0.5","","Kumar, Mukesh; Metta-Magana, Alejandro J.; Pannell, Keith H.","Ferrocenylene- and Carbosiloxane-Bridged Bis(sila[1]ferrocenophanes) E[SiMe2-X-SiMeFC]2{E = (η5-C5H4)Fe(η5-C5H4) or O; X = (CH2)n(n= 2, 3, 6); CHCH;FC= (η5-C5H4)2Fe}","Organometallics","2008","27","24","6457","","10.1021/om800537b","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","178609","2020-10-21","18:00:00",""
"4072038","18.668","0.002","17.479","0.002","19.473","0.002","90","","90","","90","","6354","1.2","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C24 H58 N3 Sc Si3 -","- C24 H58 N3 Sc Si3 -","- C192 H464 N24 Sc8 Si24 -","8","1","","Ge, Shaozhong; Meetsma, Auke; Hessen, Bart","Neutral and Cationic Rare Earth Metal Alkyl and Benzyl Compounds with the 1,4,6-Trimethyl-6-pyrrolidin-1-yl-1,4-diazepane Ligand and Their Performance in the Catalytic Hydroamination/Cyclization of Aminoalkenes","Organometallics","2008","27","20","5339","","10.1021/om8005382","","","0.71073","MoKα","","0.0445","0.0352","","","0.0811","0.0853","","","","","","1.056","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072039","17.211","0.001","17.984","0.002","20.309","0.002","90","","90","","90","","6286.1","1","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C24 H58 N3 Si3 Y -","- C24 H58 N3 Si3 Y -","- C192 H464 N24 Si24 Y8 -","8","1","","Ge, Shaozhong; Meetsma, Auke; Hessen, Bart","Neutral and Cationic Rare Earth Metal Alkyl and Benzyl Compounds with the 1,4,6-Trimethyl-6-pyrrolidin-1-yl-1,4-diazepane Ligand and Their Performance in the Catalytic Hydroamination/Cyclization of Aminoalkenes","Organometallics","2008","27","20","5339","","10.1021/om8005382","","","0.71073","MoKα","","0.0475","0.0289","","","0.0624","0.0688","","","","","","1.039","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072040","9.5975","0.0009","9.7793","0.0009","18.7475","0.0018","100.653","0.0016","96.5794","0.0017","106.247","0.0016","1634.2","0.3","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C37 H54 N3 O Sc -","- C37 H54 N3 O Sc -","- C74 H108 N6 O2 Sc2 -","2","1","","Ge, Shaozhong; Meetsma, Auke; Hessen, Bart","Neutral and Cationic Rare Earth Metal Alkyl and Benzyl Compounds with the 1,4,6-Trimethyl-6-pyrrolidin-1-yl-1,4-diazepane Ligand and Their Performance in the Catalytic Hydroamination/Cyclization of Aminoalkenes","Organometallics","2008","27","20","5339","","10.1021/om8005382","","","0.71073","MoKα","","0.0687","0.0471","","","0.1173","0.1258","","","","","","1.042","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072041","17.907","0.003","12.848","0.002","12.995","0.002","90","","90","","90","","2989.7","0.8","100","1","100","1","","","","","","","see text","4","P n a 21","P 2c -2n","33","","","","- C33 H46 La N3 -","- C33 H46 La N3 -","- C132 H184 La4 N12 -","4","1","","Ge, Shaozhong; Meetsma, Auke; Hessen, Bart","Neutral and Cationic Rare Earth Metal Alkyl and Benzyl Compounds with the 1,4,6-Trimethyl-6-pyrrolidin-1-yl-1,4-diazepane Ligand and Their Performance in the Catalytic Hydroamination/Cyclization of Aminoalkenes","Organometallics","2008","27","20","5339","","10.1021/om8005382","","","0.71073","MoKα","","0.0947","0.0512","","","0.0961","0.1101","","","","","","0.963","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072042","13.108","0.004","14.586","0.004","15.371","0.004","78.892","0.004","83.362","0.004","81.16","0.005","2838.3","1.4","100","1","100","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C58.5 H87 B N3 O Sc Si2 -","- C58.5 H87 B N3 O Sc Si2 -","- C117 H174 B2 N6 O2 Sc2 Si4 -","2","1","","Ge, Shaozhong; Meetsma, Auke; Hessen, Bart","Neutral and Cationic Rare Earth Metal Alkyl and Benzyl Compounds with the 1,4,6-Trimethyl-6-pyrrolidin-1-yl-1,4-diazepane Ligand and Their Performance in the Catalytic Hydroamination/Cyclization of Aminoalkenes","Organometallics","2008","27","20","5339","","10.1021/om8005382","","","0.71073","MoKα","","0.1985","0.0794","","","0.1555","0.2003","","","","","","0.926","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072043","23.6525","0.0013","14.4554","0.0009","27.611","0.0016","90","","90","","90","","9440.4","1","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C34 H76 Br4 Ni2 P4 -","- C34 H76 Br4 Ni2 P4 -","- C272 H608 Br32 Ni16 P32 -","8","1","","Castonguay, Annie; Beauchamp, André L.; Zargarian, Davit","Preparation and Reactivities of PCP-Type Pincer Complexes of Nickel. Impact of Different Ligand Skeletons and Phosphine Substituents","Organometallics","2008","27","21","5723","","10.1021/om8005454","","","1.54178","CuKα","","0.0704","0.0615","","","0.1303","0.136","","","","","","1.079","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072044","8.4858","0.0002","11.859","0.0003","20.8903","0.0005","90","","90.796","0.001","90","","2102.05","0.09","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H37 Br Ni P2 -","- C17 H37 Br Ni P2 -","- C68 H148 Br4 Ni4 P8 -","4","1","","Castonguay, Annie; Beauchamp, André L.; Zargarian, Davit","Preparation and Reactivities of PCP-Type Pincer Complexes of Nickel. Impact of Different Ligand Skeletons and Phosphine Substituents","Organometallics","2008","27","21","5723","","10.1021/om8005454","","","1.54178","CuKα","","0.0382","0.0322","","","0.0811","0.0838","","","","","","1.021","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072045","14.2542","0.0006","13.7514","0.0006","10.5561","0.0004","90","","95.091","0.002","90","","2060.99","0.15","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H40 Ni P2 -","- C18 H40 Ni P2 -","- C72 H160 Ni4 P8 -","4","1","","Castonguay, Annie; Beauchamp, André L.; Zargarian, Davit","Preparation and Reactivities of PCP-Type Pincer Complexes of Nickel. Impact of Different Ligand Skeletons and Phosphine Substituents","Organometallics","2008","27","21","5723","","10.1021/om8005454","","","1.54178","CuKα","","0.0468","0.0395","","","0.1019","0.1068","","","","","","1.003","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072046","10.1898","0.0009","12.5298","0.0012","19.3011","0.0016","90","","97.936","0.004","90","","2440.7","0.4","220","2","220","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H42 Ni P2 -","- C23 H42 Ni P2 -","- C92 H168 Ni4 P8 -","4","1","","Castonguay, Annie; Beauchamp, André L.; Zargarian, Davit","Preparation and Reactivities of PCP-Type Pincer Complexes of Nickel. Impact of Different Ligand Skeletons and Phosphine Substituents","Organometallics","2008","27","21","5723","","10.1021/om8005454","","","1.54178","CuKα","","0.0549","0.0486","","","0.1264","0.1317","","","","","","1.023","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072047","10.8603","0.0006","14.5551","0.0009","14.1473","0.0008","90","","92.175","0.002","90","","2234.7","0.2","220","2","220","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H40 Ni P2 -","- C20 H40 Ni P2 -","- C80 H160 Ni4 P8 -","4","1","","Castonguay, Annie; Beauchamp, André L.; Zargarian, Davit","Preparation and Reactivities of PCP-Type Pincer Complexes of Nickel. Impact of Different Ligand Skeletons and Phosphine Substituents","Organometallics","2008","27","21","5723","","10.1021/om8005454","","","1.54178","CuKα","","0.0427","0.041","","","0.1118","0.1134","","","","","","1.084","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072048","25.2547","0.0003","25.2547","0.0003","20.6154","0.0005","90","","90","","120","","11386.9","0.3","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","R -3 c :H","-R 3 2""c","167","","","","- C20 H35 Br Ni P2 -","- C20 H35 Br Ni P2 -","- C360 H630 Br18 Ni18 P36 -","18","0.5","","Castonguay, Annie; Beauchamp, André L.; Zargarian, Davit","Preparation and Reactivities of PCP-Type Pincer Complexes of Nickel. Impact of Different Ligand Skeletons and Phosphine Substituents","Organometallics","2008","27","21","5723","","10.1021/om8005454","","","1.54178","CuKα","","0.0517","0.0436","","","0.1517","0.1578","","","","","","1.186","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072049","14.0098","0.0016","16.2434","0.0018","38.914","0.004","90","","90","","90","","8855.5","1.7","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P b c a","-P 2ac 2ab","61","","","","- C17 H37 Br2 Ni P2 -","- C17 H37 Br2 Ni P2 -","- C272 H592 Br32 Ni16 P32 -","16","2","","Castonguay, Annie; Beauchamp, André L.; Zargarian, Davit","Preparation and Reactivities of PCP-Type Pincer Complexes of Nickel. Impact of Different Ligand Skeletons and Phosphine Substituents","Organometallics","2008","27","21","5723","","10.1021/om8005454","","","1.54178","CuKα","","0.052","0.0328","","","0.0757","0.0812","","","","","","0.963","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072050","20.064","0.001","10.051","0.002","12.233","0.003","90","","90","","90","","2466.9","0.8","100","1","100","1","","","","","","","see text","3","P n a 21","P 2c -2n","33","","","","- C29 H37 La -","- C29 H37 La -","- C116 H148 La4 -","4","1","","Quiroga Norambuena, Victor F.; Heeres, André; Heeres, Hero J.; Meetsma, Auke; Teuben, Jan H.; Hessen, Bart","Synthesis, Structure, and Reactivity of Rare-Earth Metallocene η3-Propargyl/Allenyl Complexes","Organometallics","2008","27","21","5672","","10.1021/om800547n","","","0.71073","MoKα","","0.0768","0.0463","","","0.0891","0.099","","","","","","1.025","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072051","8.7176","0.0004","9.651","0.0004","18.4634","0.0009","78.405","0.001","87.337","0.001","72.103","0.001","1447.86","0.11","100","1","100","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C34 H42 La N -","- C34 H42 La N -","- C68 H84 La2 N2 -","2","1","","Quiroga Norambuena, Victor F.; Heeres, André; Heeres, Hero J.; Meetsma, Auke; Teuben, Jan H.; Hessen, Bart","Synthesis, Structure, and Reactivity of Rare-Earth Metallocene η3-Propargyl/Allenyl Complexes","Organometallics","2008","27","21","5672","","10.1021/om800547n","","","0.71073","MoKα","","0.0377","0.0307","","","0.0642","0.0666","","","","","","1.028","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072052","16.4646","0.0009","10.5009","0.0006","14.7315","0.0008","90","","90","","90","","2547","0.2","100","1","100","1","","","","","","","see text","3","P c a 21","P 2c -2ac","29","","","","- C29 H37 Y -","- C29 H37 Y -","- C116 H148 Y4 -","4","1","","Quiroga Norambuena, Victor F.; Heeres, André; Heeres, Hero J.; Meetsma, Auke; Teuben, Jan H.; Hessen, Bart","Synthesis, Structure, and Reactivity of Rare-Earth Metallocene η3-Propargyl/Allenyl Complexes","Organometallics","2008","27","21","5672","","10.1021/om800547n","","","0.71073","MoKα","","0.0417","0.0297","","","0.0637","0.0685","","","","","","1.03","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072053","11.3952","0.0003","14.8865","0.0004","13.2074","0.0005","90","","106.379","0.001","90","","2149.51","0.12","150","","150","","","","","","","","?","7","P 1 21/n 1","-P 2yn","14","","Ta(C5H5)(N-2,6-C6H3Me2)(SiCl2Me)(H)(PMe3)","","- C17 H27 Cl2 N P Si Ta -","- C17 H26 Cl2 N P Si Ta -","- C68 H104 Cl8 N4 P4 Si4 Ta4 -","4","1","","Ignatov, Stanislav K.; Rees, Nicholas H.; Merkoulov, Alexei A.; Dubberley, Stuart R.; Razuvaev, Alexei G.; Mountford, Philip; Nikonov, Georgii I.","Silyl Hydrides of Tantalum Supported by Cyclopentadienyl-imido Ligand Sets: Syntheses, X-ray, NMR, and DFT Studies","Organometallics","2008","27","22","5968","","10.1021/om800553y","","","0.71073","MoKα","","0.0789","0.0789","","0.0798","0.0798","0.0798","","","","","","1.1289","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4072054","17.0908","0.0017","11.0256","0.0011","18.646","0.0019","90","","113.231","0.002","90","","3228.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H100 N4 Na4 O2 -","- C64 H100 N4 Na4 O2 -","- C128 H200 N8 Na8 O4 -","2","0.5","","Liu, Yanyan; Yang, Peiju; Yu, Jie; Yang, Xiao-Juan; Zhang, Jun D.; Chen, Zhongfang; Schaefer, Henry F.; Wu, Biao","Sodium and Magnesium Complexes with Dianionic α-Diimine Ligands","Organometallics","2008","27","22","5830","","10.1021/om800554q","","","0.71073","MoKα","","0.2145","0.0618","","","0.1307","0.184","","","","","","0.934","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072055","13.7512","0.0013","11.157","0.001","21.709","0.002","90","","106.525","0.002","90","","3193.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H96 N4 Na4 O4 -","- C60 H96 N4 Na4 O4 -","- C120 H192 N8 Na8 O8 -","2","0.5","","Liu, Yanyan; Yang, Peiju; Yu, Jie; Yang, Xiao-Juan; Zhang, Jun D.; Chen, Zhongfang; Schaefer, Henry F.; Wu, Biao","Sodium and Magnesium Complexes with Dianionic α-Diimine Ligands","Organometallics","2008","27","22","5830","","10.1021/om800554q","","","0.71073","MoKα","","0.1976","0.0696","","","0.1782","0.2383","","","","","","0.98","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072056","10.4148","0.0015","20.699","0.003","14.609","0.002","90","","107.828","0.002","90","","2998.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H44 N2 Na2 O2 -","- C30 H44 N2 Na2 O2 -","- C120 H176 N8 Na8 O8 -","4","1","","Liu, Yanyan; Yang, Peiju; Yu, Jie; Yang, Xiao-Juan; Zhang, Jun D.; Chen, Zhongfang; Schaefer, Henry F.; Wu, Biao","Sodium and Magnesium Complexes with Dianionic α-Diimine Ligands","Organometallics","2008","27","22","5830","","10.1021/om800554q","","","0.71073","MoKα","","0.1785","0.0678","","","0.1979","0.262","","","","","","0.982","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072057","12.366","0.003","12.366","0.003","29.154","0.008","90","","90","","90","","4458","2","293","2","293","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C48 H64 N4 Na4 -","- C48 H64 N4 Na4 -","- C192 H256 N16 Na16 -","4","0.5","","Liu, Yanyan; Yang, Peiju; Yu, Jie; Yang, Xiao-Juan; Zhang, Jun D.; Chen, Zhongfang; Schaefer, Henry F.; Wu, Biao","Sodium and Magnesium Complexes with Dianionic α-Diimine Ligands","Organometallics","2008","27","22","5830","","10.1021/om800554q","","","0.71073","MoKα","","0.2655","0.064","","","0.1363","0.204","","","","","","0.91","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072058","9.919","0.002","10.934","0.002","16.185","0.003","74.76","0.03","76.25","0.03","82.97","0.03","1641.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 Mg N2 O3 -","- C34 H52 Mg N2 O3 -","- C68 H104 Mg2 N4 O6 -","2","1","","Liu, Yanyan; Yang, Peiju; Yu, Jie; Yang, Xiao-Juan; Zhang, Jun D.; Chen, Zhongfang; Schaefer, Henry F.; Wu, Biao","Sodium and Magnesium Complexes with Dianionic α-Diimine Ligands","Organometallics","2008","27","22","5830","","10.1021/om800554q","","","0.71073","MoKα","","0.1082","0.0607","","","0.1727","0.2014","","","","","","0.926","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072059","10.6786","0.0005","10.6822","0.0005","16.6653","0.0007","74.144","0.002","81.909","0.002","66.3","0.002","1673.44","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H49 Fe N3 O2 -","- C37 H49 Fe N3 O2 -","- C74 H98 Fe2 N6 O4 -","2","1","","Trovitch, Ryan J.; Lobkovsky, Emil; Bouwkamp, Marco W.; Chirik, Paul J.","Carbon−Oxygen Bond Cleavage by Bis(imino)pyridine Iron Compounds: Catalyst Deactivation Pathways and Observation of Acyl C−O Bond Cleavage in Esters","Organometallics","2008","27","23","6264","","10.1021/om8005596","","","0.71073","MoKα","","0.0549","0.0406","","","0.0796","0.0847","","","","","","1.041","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072060","10.8956","0.0003","23.3911","0.0007","12.5814","0.0003","90","","91.122","0.002","90","","3205.88","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H48 Fe N3 -","- C36 H48 Fe N3 -","- C144 H192 Fe4 N12 -","4","1","","Trovitch, Ryan J.; Lobkovsky, Emil; Bouwkamp, Marco W.; Chirik, Paul J.","Carbon−Oxygen Bond Cleavage by Bis(imino)pyridine Iron Compounds: Catalyst Deactivation Pathways and Observation of Acyl C−O Bond Cleavage in Esters","Organometallics","2008","27","23","6264","","10.1021/om8005596","","","0.71073","MoKα","","0.0665","0.0402","","","0.0916","0.1043","","","","","","1.005","","","","has coordinates,has disorder","178609","2020-10-21","18:00:00",""
"4072061","11.8995","0.0008","12.17","0.0007","14.3484","0.001","70.793","0.003","89.882","0.003","65.349","0.003","1761.1","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H48 Fe N3 O2 -","- C40 H48 Fe N3 O2 -","- C80 H96 Fe2 N6 O4 -","2","1","","Trovitch, Ryan J.; Lobkovsky, Emil; Bouwkamp, Marco W.; Chirik, Paul J.","Carbon−Oxygen Bond Cleavage by Bis(imino)pyridine Iron Compounds: Catalyst Deactivation Pathways and Observation of Acyl C−O Bond Cleavage in Esters","Organometallics","2008","27","23","6264","","10.1021/om8005596","","","0.71073","MoKα","","0.0773","0.0484","","","0.09","0.0994","","","","","","1.016","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072062","8.3464","0.0017","18.493","0.004","21.547","0.004","90","","92.38","0.03","90","","3322.9","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 Fe N3 O -","- C36 H48 Fe N3 O -","- C144 H192 Fe4 N12 O4 -","4","1","","Trovitch, Ryan J.; Lobkovsky, Emil; Bouwkamp, Marco W.; Chirik, Paul J.","Carbon−Oxygen Bond Cleavage by Bis(imino)pyridine Iron Compounds: Catalyst Deactivation Pathways and Observation of Acyl C−O Bond Cleavage in Esters","Organometallics","2008","27","23","6264","","10.1021/om8005596","","","0.71073","MoKα","","0.1176","0.0463","","","0.0984","0.1133","","","","","","0.817","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072063","10.353","0.003","10.358","0.003","10.386","0.002","74.22","0.02","77.787","0.019","67.66","0.02","984","0.5","213","2","213","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H33 In Si3 -","- C12 H33 In Si3 -","- C24 H66 In2 Si6 -","2","1","","Peckermann, Ilja; Robert, Dominique; Englert, Ulli; Spaniol, Thomas P.; Okuda, Jun","Neutral and Cationic Trimethylsilylmethyl Complexes of Indium","Organometallics","2008","27","18","4817","","10.1021/om800562z","","","0.71073","MoKα","","0.097","0.0634","","","0.1311","0.1384","","","","","","1.077","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072064","25.692","0.003","10.8489","0.0013","18.007","0.002","90","","104.287","0.002","90","","4863.9","1","130","2","130","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C44 H46 B F20 In O3 Si2 -","- C44 H46 B F20 In O3 Si2 -","- C176 H184 B4 F80 In4 O12 Si8 -","4","1","","Peckermann, Ilja; Robert, Dominique; Englert, Ulli; Spaniol, Thomas P.; Okuda, Jun","Neutral and Cationic Trimethylsilylmethyl Complexes of Indium","Organometallics","2008","27","18","4817","","10.1021/om800562z","","","0.71073","MoKα","","0.0876","0.0812","","","0.2065","0.2094","","","","","","1.191","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072065","18.9199","0.0016","14.762","0.0012","18.1352","0.0015","90","","102.767","0.001","90","","4939.9","0.7","201","2","201","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H78 Al3 Cr N4 P2 -","- C41 H78 Al3 Cr N4 P2 -","- C164 H312 Al12 Cr4 N16 P8 -","4","1","","Albahily, Khalid; Al-Baldawi, Danya; Gambarotta, Sandro; Duchateau, Robbert; Koç, Ece; Burchell, Tara J.","Preparation and Characterization of a Switchable Single-Component Chromium Trimerization Catalyst","Organometallics","2008","27","21","5708","","10.1021/om800563w","","","0.71073","MoKα","","0.1579","0.0648","","","0.1383","0.1737","","","","","","1.069","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072066","9.201","0.009","21.91","0.02","9.597","0.009","90","","113.947","0.011","90","","1768","3","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 Cr N4 P2 -","- C32 H52 Cr N4 P2 -","- C64 H104 Cr2 N8 P4 -","2","0.5","","Albahily, Khalid; Al-Baldawi, Danya; Gambarotta, Sandro; Duchateau, Robbert; Koç, Ece; Burchell, Tara J.","Preparation and Characterization of a Switchable Single-Component Chromium Trimerization Catalyst","Organometallics","2008","27","21","5708","","10.1021/om800563w","","","0.71073","MoKα","","0.0895","0.0559","","","0.135","0.1517","","","","","","1.039","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4072067","9.3239","0.0019","10.351","0.002","12.241","0.002","93.71","0.03","94.57","0.03","90.07","0.03","1175.2","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 Cr O6 -","- C22 H28 Cr O6 -","- C44 H56 Cr2 O12 -","2","1","","Wang, Qifeng; Zhang, Wen-Xiong; Xi, Zhenfeng","Pyranylidene Carbene Complexes from 1-Lithio 1,3-Dienes and M(CO)6(M = Cr, Mo, W): Novel Synthesis and Demetalation Reaction","Organometallics","2008","27","15","3627","","10.1021/om800565r","","","0.71069","MoKα","","0.0762","0.0545","","","0.1414","0.1524","","","","","","1.015","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072068","9.816","0.002","21.264","0.004","11.675","0.002","90","","94.04","0.03","90","","2430.8","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 O6 W -","- C22 H28 O6 W -","- C88 H112 O24 W4 -","4","1","","Wang, Qifeng; Zhang, Wen-Xiong; Xi, Zhenfeng","Pyranylidene Carbene Complexes from 1-Lithio 1,3-Dienes and M(CO)6(M = Cr, Mo, W): Novel Synthesis and Demetalation Reaction","Organometallics","2008","27","15","3627","","10.1021/om800565r","","","0.71073","MoKα","","0.0709","0.0444","","","0.0929","0.1026","","","","","","0.991","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072069","10.667","0.002","11.59","0.002","11.644","0.002","83.7","0.03","66.19","0.03","72.92","0.03","1258.9","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 O6 S W -","- C22 H28 O6 S W -","- C44 H56 O12 S2 W2 -","2","1","","Wang, Qifeng; Zhang, Wen-Xiong; Xi, Zhenfeng","Pyranylidene Carbene Complexes from 1-Lithio 1,3-Dienes and M(CO)6(M = Cr, Mo, W): Novel Synthesis and Demetalation Reaction","Organometallics","2008","27","15","3627","","10.1021/om800565r","","","0.71069","MoKα","","0.063","0.0468","","","0.0801","0.0842","","","","","","1.095","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072070","13.573","0.005","14.203","0.005","14.125","0.005","90","","116.313","0.0013","90","","2440.8","1.5","103.15","","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H42 Cl O2 P Pd -","- C22 H42 Cl O2 P Pd -","- C88 H168 Cl4 O8 P4 Pd4 -","4","1","","Takamiya, Ikuko; Yamashita, Makoto; Nozaki, Kyoko","Syntheses of Ester-Substituted Norbornyl Palladium Complexes Ligated withtBu3P: Studies on the Insertion ofexo- andendo-Monomers in the Ester-Substituted Norbornene Polymerization","Organometallics","2008","27","20","5347","","10.1021/om800566j","","","0.7107","MoKα","","0.0598","0.0525","","","0.1235","0.1283","","","","","","1.111","","","","has coordinates,has disorder","178609","2020-10-21","18:00:00",""
"4072071","12.052","0.009","10.073","0.007","22.418","0.017","90","0.003","104.159","0.003","90","0.003","2639","3","103.15","","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H44 Cl3 O2 P Pd -","- C23 H44 Cl3 O2 P Pd -","- C92 H176 Cl12 O8 P4 Pd4 -","4","1","","Takamiya, Ikuko; Yamashita, Makoto; Nozaki, Kyoko","Syntheses of Ester-Substituted Norbornyl Palladium Complexes Ligated withtBu3P: Studies on the Insertion ofexo- andendo-Monomers in the Ester-Substituted Norbornene Polymerization","Organometallics","2008","27","20","5347","","10.1021/om800566j","","","0.7107","MoKα","","0.0329","0.0274","","","0.0577","0.06","","","","","","1.088","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072072","16.081","0.006","8.681","0.003","17.306","0.006","90","","99.208","0.0017","90","","2384.8","1.5","103.15","","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Cl O2 P Pd -","- C22 H42 Cl O2 P Pd -","- C88 H168 Cl4 O8 P4 Pd4 -","4","1","","Takamiya, Ikuko; Yamashita, Makoto; Nozaki, Kyoko","Syntheses of Ester-Substituted Norbornyl Palladium Complexes Ligated withtBu3P: Studies on the Insertion ofexo- andendo-Monomers in the Ester-Substituted Norbornene Polymerization","Organometallics","2008","27","20","5347","","10.1021/om800566j","","","0.7107","MoKα","","0.0511","0.0433","","","0.0805","0.0834","","","","","","1.181","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072073","8.592","0.005","10.019","0.005","15.068","0.008","100.372","0.006","100.796","0.006","104.467","0.006","1198.1","1.1","103.15","","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H42 Cl O2 P Pd -","- C22 H42 Cl O2 P Pd -","- C44 H84 Cl2 O4 P2 Pd2 -","2","1","","Takamiya, Ikuko; Yamashita, Makoto; Nozaki, Kyoko","Syntheses of Ester-Substituted Norbornyl Palladium Complexes Ligated withtBu3P: Studies on the Insertion ofexo- andendo-Monomers in the Ester-Substituted Norbornene Polymerization","Organometallics","2008","27","20","5347","","10.1021/om800566j","","","0.7107","MoKα","","0.025","0.0236","","","0.0598","0.0606","","","","","","1.093","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072074","6.3438","0.0003","18.0866","0.0005","10.472","0.0006","90","","100.732","0.001","90","","1180.52","0.09","120.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 P Si -","- C12 H17 P Si -","- C48 H68 P4 Si4 -","4","1","","Ochida, Atsuko; Hamasaka, Go; Yamauchi, Yoshihiro; Kawamorita, Soichiro; Oshima, Naoya; Hara, Kenji; Ohmiya, Hirohisa; Sawamura, Masaya","Synthesis, Properties, and Catalytic Applications of Caged, Compact Trialkylphosphine 4-Phenyl-1-phospha-4-silabicyclo[2.2.2]octane","Organometallics","2008","27","21","5494","","10.1021/om8005728","","","0.7107","MoKα","","","0.0403","","","","0.0757","","","","","","1.962","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072075","6.3632","0.0003","7.6482","0.0003","13.6844","0.0007","90","","97.056","0.002","90","","660.94","0.05","120.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H20 B P Si -","- C12 H20 B P Si -","- C24 H40 B2 P2 Si2 -","2","1","","Ochida, Atsuko; Hamasaka, Go; Yamauchi, Yoshihiro; Kawamorita, Soichiro; Oshima, Naoya; Hara, Kenji; Ohmiya, Hirohisa; Sawamura, Masaya","Synthesis, Properties, and Catalytic Applications of Caged, Compact Trialkylphosphine 4-Phenyl-1-phospha-4-silabicyclo[2.2.2]octane","Organometallics","2008","27","21","5494","","10.1021/om8005728","","","0.7107","MoKα","","","0.0278","","","","0.0371","","","","","","1.265","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072076","6.914","0.004","6.698","0.004","28.42","0.02","90","","95.71","0.04","90","","1309.6","1.4","110.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Cl O P2 Rh Si2 -","- C25 H34 Cl O P2 Rh Si2 -","- C50 H68 Cl2 O2 P4 Rh2 Si4 -","2","0.5","","Ochida, Atsuko; Hamasaka, Go; Yamauchi, Yoshihiro; Kawamorita, Soichiro; Oshima, Naoya; Hara, Kenji; Ohmiya, Hirohisa; Sawamura, Masaya","Synthesis, Properties, and Catalytic Applications of Caged, Compact Trialkylphosphine 4-Phenyl-1-phospha-4-silabicyclo[2.2.2]octane","Organometallics","2008","27","21","5494","","10.1021/om8005728","","","0.7107","MoKα","","","0.0419","","","","0.0938","","","","","","3.25","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072077","11.626","0.001","18.686","0.002","14.094","0.002","90","","101.368","0.002","90","","3001.8","0.6","123.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C32 H54 P2 Pt Si2 -","- C29 H47 P2 Pt Si2 -","- C116 H188 P8 Pt4 Si8 -","4","1","","Ochida, Atsuko; Hamasaka, Go; Yamauchi, Yoshihiro; Kawamorita, Soichiro; Oshima, Naoya; Hara, Kenji; Ohmiya, Hirohisa; Sawamura, Masaya","Synthesis, Properties, and Catalytic Applications of Caged, Compact Trialkylphosphine 4-Phenyl-1-phospha-4-silabicyclo[2.2.2]octane","Organometallics","2008","27","21","5494","","10.1021/om8005728","","","0.7107","MoKα","","","0.0743","","","","0.1044","","","","","","3.313","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072078","10.0455","0.001","10.5478","0.001","18.0428","0.0017","84.01","0.002","82.35","0.002","73.292","0.002","1810.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H50 N3 Sc Si2 -","- C36 H50 N3 Sc Si2 -","- C72 H100 N6 Sc2 Si4 -","2","1","","Gao, Wei; Cui, Dongmei; Liu, Xiaoming; Zhang, Yu; Mu, Ying","Rare-Earth Metal Bis(alkyl)s Supported by a Quinolinyl Anilido-Imine Ligand: Synthesis and Catalysis on Living Polymerization of ε-Caprolactone","Organometallics","2008","27","22","5889","","10.1021/om800575p","","","0.71073","MoKα","","0.0733","0.0532","","","0.1221","0.1355","","","","","","1.026","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072079","11.2166","0.0014","20.184","0.003","20.545","0.003","90","","64.61","0.003","90","","4202","1","187","2","187","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 N3 O Si2 Y -","- C40 H58 N3 O Si2 Y -","- C160 H232 N12 O4 Si8 Y4 -","4","1","","Gao, Wei; Cui, Dongmei; Liu, Xiaoming; Zhang, Yu; Mu, Ying","Rare-Earth Metal Bis(alkyl)s Supported by a Quinolinyl Anilido-Imine Ligand: Synthesis and Catalysis on Living Polymerization of ε-Caprolactone","Organometallics","2008","27","22","5889","","10.1021/om800575p","","","0.71073","MoKα","","0.1796","0.0679","","","0.1113","0.1431","","","","","","0.928","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072080","10.102","0.0008","10.6056","0.0009","17.9299","0.0014","84.109","0.001","81.755","0.001","74.098","0.001","1824.3","0.3","187","2","187","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H50 Lu N3 Si2 -","- C36 H50 Lu N3 Si2 -","- C72 H100 Lu2 N6 Si4 -","2","1","","Gao, Wei; Cui, Dongmei; Liu, Xiaoming; Zhang, Yu; Mu, Ying","Rare-Earth Metal Bis(alkyl)s Supported by a Quinolinyl Anilido-Imine Ligand: Synthesis and Catalysis on Living Polymerization of ε-Caprolactone","Organometallics","2008","27","22","5889","","10.1021/om800575p","","","0.71073","MoKα","","0.0579","0.0447","","","0.0824","0.0881","","","","","","0.989","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072081","8.1388","0.0006","12.5307","0.0009","18.048","0.001","93.746","0.004","97.217","0.004","97.567","0.003","1803.9","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C31 H24 Ag Cl N2 O10 Os3 -","- C31 H24 Ag Cl N2 O10 Os3 -","- C62 H48 Ag2 Cl2 N4 O20 Os6 -","2","1","","Cooke, Craig E.; Jennings, Michael C.; Katz, Michael J.; Pomeroy, R. K.; Clyburne, Jason A. C.","NHC Complexes of Osmium Clusters: A Structural and Reactivity Study","Organometallics","2008","27","22","5777","","10.1021/om800577x","","","0.71073","MoKα","","0.1152","0.0538","","","0.0996","0.1181","","","","","","0.943","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072082","14.5755","0.0008","21.6908","0.0016","17.6188","0.0011","90","","106.714","0.003","90","","5334.9","0.6","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H25 Ag Cl2 N2 O20 Os6 -","- C41 H25 Ag Cl2 N2 O20 Os6 -","- C164 H100 Ag4 Cl8 N8 O80 Os24 -","4","0.5","","Cooke, Craig E.; Jennings, Michael C.; Katz, Michael J.; Pomeroy, R. K.; Clyburne, Jason A. C.","NHC Complexes of Osmium Clusters: A Structural and Reactivity Study","Organometallics","2008","27","22","5777","","10.1021/om800577x","","","0.71073","MoKα","","0.1404","0.0737","","","0.1721","0.2044","","","","","","1.01","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072083","27.9147","0.0005","16.5133","0.0003","15.2219","0.0002","90","","90","","90","","7016.7","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C32 H28 N2 O11 Os4 -","- C32 H28 N2 O11 Os4 -","- C256 H224 N16 O88 Os32 -","8","2","","Cooke, Craig E.; Jennings, Michael C.; Katz, Michael J.; Pomeroy, R. K.; Clyburne, Jason A. C.","NHC Complexes of Osmium Clusters: A Structural and Reactivity Study","Organometallics","2008","27","22","5777","","10.1021/om800577x","","","0.71073","MoKα","","0.0839","0.0478","","","0.0902","0.1011","","","","","","0.969","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072084","10.272","0.0003","22.8096","0.0005","24.0937","0.0005","90","","94.131","0.001","90","","5630.5","0.2","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52.4 H52.8 Cl0.8 N4 O10 Os4 -","- C52.4 H52.8 Cl0.8 N4 O10 Os4 -","- C209.6 H211.2 Cl3.2 N16 O40 Os16 -","4","1","","Cooke, Craig E.; Jennings, Michael C.; Katz, Michael J.; Pomeroy, R. K.; Clyburne, Jason A. C.","NHC Complexes of Osmium Clusters: A Structural and Reactivity Study","Organometallics","2008","27","22","5777","","10.1021/om800577x","","","0.71073","MoKα","","0.0854","0.0495","","","0.1192","0.1343","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072085","24.1236","0.0013","11.6068","0.0006","31.1183","0.0017","90","","90","","90","","8713.1","0.8","150","2","150","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C32 H27 Cl N2 O11 Os4 -","- C32 H27 Cl N2 O11 Os4 -","- C256 H216 Cl8 N16 O88 Os32 -","8","2","","Cooke, Craig E.; Jennings, Michael C.; Katz, Michael J.; Pomeroy, R. K.; Clyburne, Jason A. C.","NHC Complexes of Osmium Clusters: A Structural and Reactivity Study","Organometallics","2008","27","22","5777","","10.1021/om800577x","","","0.71073","MoKα","","0.0874","0.0736","","","0.201","0.2146","","","","","","1.048","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072086","17.845","0.0015","10.7365","0.0009","19.3626","0.0016","90","","116.698","0.004","90","","3314.2","0.5","293","","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H14 N2 O14 Os5 -","- C27 H14 N2 O14 Os5 -","- C108 H56 N8 O56 Os20 -","4","1","","Cooke, Craig E.; Jennings, Michael C.; Katz, Michael J.; Pomeroy, R. K.; Clyburne, Jason A. C.","NHC Complexes of Osmium Clusters: A Structural and Reactivity Study","Organometallics","2008","27","22","5777","","10.1021/om800577x","","","0.71073","MoKα","","0.0852","0.0314","","0.0576","0.0354","0.0354","","","","","","0.5998","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072087","10.4402","0.0002","24.0703","0.0006","17.0669","0.0004","90","","104.113","0.001","90","","4159.44","0.16","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H28 N2 O15 Os6 -","- C37 H28 N2 O15 Os6 -","- C148 H112 N8 O60 Os24 -","4","1","","Cooke, Craig E.; Jennings, Michael C.; Katz, Michael J.; Pomeroy, R. K.; Clyburne, Jason A. C.","NHC Complexes of Osmium Clusters: A Structural and Reactivity Study","Organometallics","2008","27","22","5777","","10.1021/om800577x","","","0.71073","MoKα","","0.0645","0.0464","","","0.1174","0.1268","","","","","","1.039","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072088","14.0262","0.0005","15.9043","0.0006","16.2287","0.0006","96.672","0.002","96.046","0.002","90.049","0.002","3575.4","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H28 N2 O11 Os4 -","- C32 H28 N2 O11 Os4 -","- C128 H112 N8 O44 Os16 -","4","2","","Cooke, Craig E.; Jennings, Michael C.; Katz, Michael J.; Pomeroy, R. K.; Clyburne, Jason A. C.","NHC Complexes of Osmium Clusters: A Structural and Reactivity Study","Organometallics","2008","27","22","5777","","10.1021/om800577x","","","0.71073","MoKα","","0.075","0.0672","","","0.1781","0.1878","","","","","","1.02","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072089","12.3074","0.0004","12.6819","0.0004","14.7598","0.0005","74.792","0.002","87.235","0.002","62.317","0.002","1961.26","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H33 N2 O10 Os4 -","- C40 H33 N2 O10 Os4 -","- C80 H66 N4 O20 Os8 -","2","1","","Cooke, Craig E.; Jennings, Michael C.; Katz, Michael J.; Pomeroy, R. K.; Clyburne, Jason A. C.","NHC Complexes of Osmium Clusters: A Structural and Reactivity Study","Organometallics","2008","27","22","5777","","10.1021/om800577x","","","0.71073","MoKα","","0.0552","0.0513","","","0.1408","0.1448","","","","","","1.04","","","","has coordinates,has disorder","178609","2020-10-21","18:00:00",""
"4072090","12.3075","0.0005","12.7131","0.0007","15.1134","0.0007","73.738","0.002","86.774","0.003","62.89","0.002","2013.66","0.17","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38.5 H29 Cl N2 O10 Os4 -","- C38.5 H29 Cl N2 O10 Os4 -","- C77 H58 Cl2 N4 O20 Os8 -","2","1","","Cooke, Craig E.; Jennings, Michael C.; Katz, Michael J.; Pomeroy, R. K.; Clyburne, Jason A. C.","NHC Complexes of Osmium Clusters: A Structural and Reactivity Study","Organometallics","2008","27","22","5777","","10.1021/om800577x","","","0.71073","MoKα","","0.0688","0.0442","","","0.1047","0.1147","","","","","","0.999","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4072091","8.3651","0.0002","10.8743","0.0003","20.4975","0.0007","80.968","0.002","81.369","0.002","71.935","0.002","1740.42","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C33.5 H29 Cl N2 O9 Os3 -","- C33.5 H29 Cl N2 O9 Os3 -","- C67 H58 Cl2 N4 O18 Os6 -","2","1","","Cooke, Craig E.; Jennings, Michael C.; Katz, Michael J.; Pomeroy, R. K.; Clyburne, Jason A. C.","NHC Complexes of Osmium Clusters: A Structural and Reactivity Study","Organometallics","2008","27","22","5777","","10.1021/om800577x","","","0.71073","MoKα","","0.0437","0.034","","","0.0802","0.0836","","","","","","1.028","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4072092","20.872","0.003","20.872","0.003","21.022","0.004","90","","90","","120","","7931","2","100","2","100","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C57 H61 B Hf N6 -","- C57 H61 B Hf N6 -","- C342 H366 B6 Hf6 N36 -","6","1","","Lee, Han; Nienkemper, Katrin; Jordan, Richard F.","Synthesis and Reactivity of a Sterically Crowded Tris(pyrazolyl)borate Hafnium Benzyl Complex","Organometallics","2008","27","19","5075","","10.1021/om8005799","","","0.71073","MoKα","","0.033","0.0314","","","0.0808","0.0816","","","","","","1.092","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072093","15.108","0.003","13.258","0.003","20.346","0.004","90","","98.395","0.003","90","","4031.7","1.4","294","2","294","2","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C25 H20 N P -","- C25 H20 N P -","- C200 H160 N8 P8 -","8","4","","Sun, Kai; Wang, Li; Wang, Zhong-Xia","Synthesis and Characterization of Amido Pincer Complexes of Lithium and Nickel and Catalysis of the Nickel Complexes in the Kumada Cross-Coupling","Organometallics","2008","27","21","5649","","10.1021/om800580p","","","0.7107","MoKα","","0.1092","0.0566","","","0.1321","0.1658","","","","","","1.041","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072094","15.922","0.002","9.7547","0.0016","23.679","0.003","90","","107.689","0.002","90","","3503.8","0.9","298","2","298","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C81 H68 Cl2 N2 Ni2 O2 P4 -","- C81 H68 Cl2 N2 Ni2 O2 P4 -","- C162 H136 Cl4 N4 Ni4 O4 P8 -","2","1","","Sun, Kai; Wang, Li; Wang, Zhong-Xia","Synthesis and Characterization of Amido Pincer Complexes of Lithium and Nickel and Catalysis of the Nickel Complexes in the Kumada Cross-Coupling","Organometallics","2008","27","21","5649","","10.1021/om800580p","","","0.71073","MoKα","","0.1313","0.0561","","","0.0619","0.0748","","","","","","0.816","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072095","14.647","0.002","17.098","0.003","15.666","0.003","90","","115.807","0.002","90","","3532","1","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38.5 H33 Cl2 N Ni P2 -","- C38.5 H33 Cl2 N Ni P2 -","- C154 H132 Cl8 N4 Ni4 P8 -","4","1","","Sun, Kai; Wang, Li; Wang, Zhong-Xia","Synthesis and Characterization of Amido Pincer Complexes of Lithium and Nickel and Catalysis of the Nickel Complexes in the Kumada Cross-Coupling","Organometallics","2008","27","21","5649","","10.1021/om800580p","","","0.71073","MoKα","","0.1607","0.062","","","0.1019","0.1173","","","","","","1.002","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072096","15.2015","0.0015","18.635","0.002","16.855","0.002","90","","113.301","0.002","90","","4385.3","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H47 Cl N2 Ni P2 -","- C52 H47 Cl N2 Ni P2 -","- C208 H188 Cl4 N8 Ni4 P8 -","4","1","","Sun, Kai; Wang, Li; Wang, Zhong-Xia","Synthesis and Characterization of Amido Pincer Complexes of Lithium and Nickel and Catalysis of the Nickel Complexes in the Kumada Cross-Coupling","Organometallics","2008","27","21","5649","","10.1021/om800580p","","","0.71073","MoKα","","0.1387","0.0673","","","0.1177","0.143","","","","","","1.061","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072097","20.776","0.002","13.85","0.0014","11.4466","0.0012","90","","122.207","0.001","90","","2786.9","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 O2 Pt -","- C16 H22 O2 Pt -","- C128 H176 O16 Pt8 -","8","1","","Wu, Jianguo; Sharp, Paul R.","CO, Isocyanide, Alkene, and Alkyne Insertions into Platinaoxetane Pt−O Bonds","Organometallics","2008","27","18","4810","","10.1021/om8005849","","","0.71073","MoKα","","0.0452","0.0375","","","0.08","0.0827","","","","","","1.092","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072098","19.555","0.004","12.571","0.003","7.3292","0.0015","90","","90","","90","","1801.7","0.7","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H19 O5 P -","- C18 H19 O5 P -","- C72 H76 O20 P4 -","4","1","","Duan, Zheng; Zhang, Jianzhen; Tian, Rongqiang; Bai, Liuying; Mathey, Francois","Reinvestigation of the Reactions of 1-Phenyl-3,4-dimethylphosphole with Dimethyl Acetylenedicarboxylate","Organometallics","2008","27","19","5169","","10.1021/om8005867","","","0.71073","MoKα","","0.0433","0.0404","","","0.0997","0.1016","","","","","","1.121","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072099","11.1503","0.0002","15.0906","0.0001","15.5381","0.0003","74.182","0.006","83.504","0.007","72.694","0.004","2400.17","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H44 N4 P2 Pt -","- C60 H44 N4 P2 Pt -","- C120 H88 N8 P4 Pt2 -","2","1","","Xu, Hai-Bing; Ni, Jun; Chen, Kun-Jiao; Zhang, Li-Yi; Chen, Zhong-Ning","Preparation, Characterization, and Photophysical Properties ofcis- ortrans-PtLn2(Ln = Nd, Eu, Yb) Arrays with 5-Ethynyl-2,2′-bipyridine","Organometallics","2008","27","21","5665","","10.1021/om8005883","","","0.71073","MoKα","","0.0408","0.0344","","","0.0741","0.0777","","","","","","1.041","","","","has coordinates","178609","2020-10-21","18:00:00",""
"4072100","20.594","0.012","18.854","0.01","27.594","0.017","90","","92.108","0.005","90","","10707","11","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C91 H54 Cl2 F36 N4 O13 P2 Pt Yb2 -","- C91 H50 Cl2 F36 N4 O13 P2 Pt Yb2 -","- C364 H200 Cl8 F144 N16 O52 P8 Pt4 Yb8 -","4","1","","Xu, Hai-Bing; Ni, Jun; Chen, Kun-Jiao; Zhang, Li-Yi; Chen, Zhong-Ning","Preparation, Characterization, and Photophysical Properties ofcis- ortrans-PtLn2(Ln = Nd, Eu, Yb) Arrays with 5-Ethynyl-2,2′-bipyridine","Organometallics","2008","27","21","5665","","10.1021/om8005883","","","0.71073","MoKα","","0.0829","0.0679","","","0.1811","0.1975","","","","","","1.079","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072101","11.779","0.004","27.718","0.009","15.891","0.005","90","","94.628","0.004","90","","5171","3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45 H25 F18 N2 O6 P Pt0.5 Yb -","- C45 H25 F18 N2 O6 P Pt0.5 Yb -","- C180 H100 F72 N8 O24 P4 Pt2 Yb4 -","4","1","","Xu, Hai-Bing; Ni, Jun; Chen, Kun-Jiao; Zhang, Li-Yi; Chen, Zhong-Ning","Preparation, Characterization, and Photophysical Properties ofcis- ortrans-PtLn2(Ln = Nd, Eu, Yb) Arrays with 5-Ethynyl-2,2′-bipyridine","Organometallics","2008","27","21","5665","","10.1021/om8005883","","","0.71073","MoKα","","0.0885","0.0653","","","0.1105","0.1202","","","","","","1.149","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4072102","14.7813","0.0007","7.3153","0.0003","17.9908","0.0012","90","","93.613","0.002","90","","1941.47","0.18","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","","Yeh, Ming-Chang P.; Tsao, Wen-Cheng; Lee, Bo-Jen; Lin, Tzu-Ling","Facile Synthesis of Carbotetracycles via Gold(I)-Catalyzed Cyclization of Unactivated Cyclic 1-Aryl-6,8-dien-1-ynes","Organometallics","2008","27","20","5326","","10.1021/om8005917","","","0.71073","MoKα","","0.166","0.0771","","","0.1713","0.2439","","","","","","0.993","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072103","7.6847","0.0012","9.6434","0.0012","25.397","0.005","84.277","0.005","78.835","0.005","89.807","0.009","1837","0.5","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H22 O2 -","- C24 H22 O2 -","- C96 H88 O8 -","4","2","","Yeh, Ming-Chang P.; Tsao, Wen-Cheng; Lee, Bo-Jen; Lin, Tzu-Ling","Facile Synthesis of Carbotetracycles via Gold(I)-Catalyzed Cyclization of Unactivated Cyclic 1-Aryl-6,8-dien-1-ynes","Organometallics","2008","27","20","5326","","10.1021/om8005917","","","0.71073","MoKα","","0.3048","0.1458","","","0.3277","0.4467","","","","","","1.095","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072104","10.6161","0.0006","6.8123","0.0004","21.2635","0.0014","90","","96.907","0.002","90","","1526.62","0.16","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O2 -","- C20 H20 O2 -","- C80 H80 O8 -","4","2","","Yeh, Ming-Chang P.; Tsao, Wen-Cheng; Lee, Bo-Jen; Lin, Tzu-Ling","Facile Synthesis of Carbotetracycles via Gold(I)-Catalyzed Cyclization of Unactivated Cyclic 1-Aryl-6,8-dien-1-ynes","Organometallics","2008","27","20","5326","","10.1021/om8005917","","","0.71073","MoKα","","0.1663","0.1011","","","0.2312","0.2842","","","","","","1.032","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072105","10.6786","0.0018","6.8771","0.0012","22.698","0.004","90","","96.615","0.004","90","","1655.8","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","2","","Yeh, Ming-Chang P.; Tsao, Wen-Cheng; Lee, Bo-Jen; Lin, Tzu-Ling","Facile Synthesis of Carbotetracycles via Gold(I)-Catalyzed Cyclization of Unactivated Cyclic 1-Aryl-6,8-dien-1-ynes","Organometallics","2008","27","20","5326","","10.1021/om8005917","","","0.71073","MoKα","","0.0924","0.05","","","0.1279","0.1581","","","","","","0.984","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072106","10.237","0.002","16.822","0.003","22.528","0.005","90","","97.73","0.03","90","","3844.2","1.4","301","2","301","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 F12 N5 O2 P2 Ru -","- C33 H45 F12 N5 O2 P2 Ru -","- C132 H180 F48 N20 O8 P8 Ru4 -","4","1","","Wong, Chun-Yuen; Lai, Lo-Ming; Lam, Chi-Yeung; Zhu, Nianyong","Ruthenium Carbene and Allenylidene Complexes Supported by the Tertiary Amine−Aromatic Diimine Ligand Set: Structural, Spectroscopic, and Theoretical Studies","Organometallics","2008","27","22","5806","","10.1021/om800592a","","","0.71073","MoKα","","0.0486","0.0368","","","0.1005","0.1051","","","","","","0.887","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072107","10.664","0.002","13.418","0.003","16.109","0.003","96.96","0.03","93.22","0.03","99.66","0.03","2248.7","0.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H49 F12 N5 O2 P2 Ru -","- C40 H49 F12 N5 O2 P2 Ru -","- C80 H98 F24 N10 O4 P4 Ru2 -","2","1","","Wong, Chun-Yuen; Lai, Lo-Ming; Lam, Chi-Yeung; Zhu, Nianyong","Ruthenium Carbene and Allenylidene Complexes Supported by the Tertiary Amine−Aromatic Diimine Ligand Set: Structural, Spectroscopic, and Theoretical Studies","Organometallics","2008","27","22","5806","","10.1021/om800592a","","","0.71073","MoKα","","0.0724","0.0472","","","0.1277","0.1374","","","","","","0.716","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072108","24.4597","0.0015","13.0822","0.0008","17.0457","0.0011","90","","127.244","0.001","90","","4342.1","0.5","150","2","150","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","Diphenyl 1,5,7-triazabicyclo[4.4.0]dec-5-ene phosphine nickel dibromide","","- C19.5 H22 Br2 Cl D N3 Ni P -","- C19.5 H22 Br2 Cl D N3 Ni P -","- C156 H176 Br16 Cl8 D8 N24 Ni8 P8 -","8","1","","Dyer, Philip W.; Fawcett, John; Hanton, Martin J.","RigidN-Phosphino Guanidine P,N Ligands and Their Use in Nickel-Catalyzed Ethylene Oligomerization","Organometallics","2008","27","19","5082","","10.1021/om8005933","","","0.71073","MoKα","","0.0396","0.0346","","","0.0986","0.1002","","","","","","1.067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072109","15.9413","0.001","10.0293","0.0006","17.9553","0.0011","90","","115.261","0.003","90","","2596.2","0.3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Si4 -","- C24 H38 Si4 -","- C96 H152 Si16 -","4","1","","Lim, Young Mook; Lee, Myong Euy; Lee, Junseong; Do, Youngkyu","Reactivity of Bromodilithiosilane to Naphthalene and Anthracene","Organometallics","2008","27","23","6375","","10.1021/om800596t","","","0.71073","MoKα","","0.148","0.0479","","","0.1262","0.1671","","","","","","1.001","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072110","23.1848","0.001","23.1848","0.001","10.3243","0.0006","90","","90","","90","","5549.7","0.5","296","2","296","2","","","","","","","","3","I -4","I -4","82","","","","- C24 H38 Si4 -","- C24 H38 Si4 -","- C192 H304 Si32 -","8","1","","Lim, Young Mook; Lee, Myong Euy; Lee, Junseong; Do, Youngkyu","Reactivity of Bromodilithiosilane to Naphthalene and Anthracene","Organometallics","2008","27","23","6375","","10.1021/om800596t","","","0.71073","MoKα","","0.1265","0.0883","","","0.2119","0.2366","","","","","","0.997","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072111","30.8","0.004","16.172","0.002","16.66","0.002","90","","107.606","0.008","90","","7909.6","1.7","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","[(META-nacnac)Ca]2","","","- C86 H110 Ca2 N8 -","- C86 H110 Ca2 N8 -","- C344 H440 Ca8 N32 -","4","0.5","","Piesik, Dirk F.-J.; Range, Sven; Harder, Sjoerd","Bimetallic Calcium and Zinc Complexes with Bridged β-Diketiminate Ligands: Investigations on Epoxide/CO2Copolymerization","Organometallics","2008","27","23","6178","","10.1021/om800597f","","","0.71073","MoKα","","0.1392","0.0872","","","0.203","0.2436","","","","","","1.037","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072112","34.0276","0.0009","10.3059","0.0003","19.5596","0.0005","90","","90","","90","","6859.3","0.3","203","2","203","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","{1,4-[(DIPP-NC(Me)CHC(Me)-N]2-C6H4}Ca2[N(TMS)2]2(THF)2","","","- C30 H52 Ca N3 O Si2 -","- C30 H52 Ca N3 O Si2 -","- C240 H416 Ca8 N24 O8 Si16 -","8","1","","Piesik, Dirk F.-J.; Range, Sven; Harder, Sjoerd","Bimetallic Calcium and Zinc Complexes with Bridged β-Diketiminate Ligands: Investigations on Epoxide/CO2Copolymerization","Organometallics","2008","27","23","6178","","10.1021/om800597f","","","0.71073","MoKα","","0.0897","0.0495","","","0.122","0.147","","","","","","1.029","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072113","18.469","0.003","21.213","0.004","19.522","0.004","90","","117.927","0.01","90","","6758","2","203","2","203","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1,4-(DIPP-nacnac-Zn(N(SiMe3)2)2-C6H4","","","- C58 H94 N6 Si4 Zn2 -","- C58 H94 N6 Si4 Zn2 -","- C232 H376 N24 Si16 Zn8 -","4","1","","Piesik, Dirk F.-J.; Range, Sven; Harder, Sjoerd","Bimetallic Calcium and Zinc Complexes with Bridged β-Diketiminate Ligands: Investigations on Epoxide/CO2Copolymerization","Organometallics","2008","27","23","6178","","10.1021/om800597f","","","0.71073","MoKα","","0.0616","0.0397","","","0.0977","0.1038","","","","","","0.991","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072114","10.9191","0.0008","35.169","0.003","18.4217","0.0014","90","","95.451","0.005","90","","7042.2","1","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","META-[ZnN(SiMe3)2]2","","","- C52 H88 N6 Si4 Zn2 -","- C52 H88 N6 Si4 Zn2 -","- C208 H352 N24 Si16 Zn8 -","4","1","","Piesik, Dirk F.-J.; Range, Sven; Harder, Sjoerd","Bimetallic Calcium and Zinc Complexes with Bridged β-Diketiminate Ligands: Investigations on Epoxide/CO2Copolymerization","Organometallics","2008","27","23","6178","","10.1021/om800597f","","","0.71073","MoKα","","0.1253","0.0708","","","0.2085","0.2374","","","","","","1.081","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072115","11.6831","0.0004","14.2544","0.0005","14.5619","0.0005","67.162","0.002","79.572","0.002","70.257","0.002","2100.1","0.13","203","2","203","2","","","","","","","","4","P -1","-P 1","2","1,3-(DIPP-nacnac-ZnEt)2-pyridine","","","- C43 H61 N5 Zn2 -","- C43 H61 N5 Zn2 -","- C86 H122 N10 Zn4 -","2","1","","Piesik, Dirk F.-J.; Range, Sven; Harder, Sjoerd","Bimetallic Calcium and Zinc Complexes with Bridged β-Diketiminate Ligands: Investigations on Epoxide/CO2Copolymerization","Organometallics","2008","27","23","6178","","10.1021/om800597f","","","0.71073","MoKα","","0.047","0.0333","","","0.0818","0.0878","","","","","","1.068","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072116","11.2229","0.0003","28.1674","0.0008","15.3663","0.0004","90","","108.547","0.002","90","","4605.3","0.2","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","PYR-(nacnac)[Zn(O2SEt)]2","","","- C43 H61 N5 O4 S2 Zn2 -","- C43 H61 N5 O4 S2 Zn2 -","- C172 H244 N20 O16 S8 Zn8 -","4","1","","Piesik, Dirk F.-J.; Range, Sven; Harder, Sjoerd","Bimetallic Calcium and Zinc Complexes with Bridged β-Diketiminate Ligands: Investigations on Epoxide/CO2Copolymerization","Organometallics","2008","27","23","6178","","10.1021/om800597f","","","0.71073","MoKα","","0.0727","0.0439","","","0.0983","0.1091","","","","","","1.053","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4072117","11.4175","0.0008","17.6207","0.0013","16.6197","0.0012","90","","106.796","0.001","90","","3201","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H56 B2 P2 Pb Si2 -","- C22 H56 B2 P2 Pb Si2 -","- C88 H224 B8 P8 Pb4 Si8 -","4","1","","Izod, Keith; McFarlane, William; Wills, Corinne; Clegg, William; Harrington, Ross W.","Agostic-Type B−H···Pb Interactions Stabilize a Dialkylplumbylene. Structure of and Bonding in [{nPr2P(BH3)}(Me3Si)C(CH2)]2Pb","Organometallics","2008","27","17","4386","","10.1021/om800598b","","","0.6895","synchrotron","","0.0508","0.0437","","","0.0899","0.0929","","","","","","1.05","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072118","11.4623","0.0008","14.0466","0.0012","22.4174","0.0015","101.861","0.001","93.528","0.001","114.037","0.001","3183.1","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H56 B2 P2 Pb Si2 -","- C22 H56 B2 P2 Pb Si2 -","- C88 H224 B8 P8 Pb4 Si8 -","4","2","","Izod, Keith; McFarlane, William; Wills, Corinne; Clegg, William; Harrington, Ross W.","Agostic-Type B−H···Pb Interactions Stabilize a Dialkylplumbylene. Structure of and Bonding in [{nPr2P(BH3)}(Me3Si)C(CH2)]2Pb","Organometallics","2008","27","17","4386","","10.1021/om800598b","","","0.71073","MoKα","","0.0328","0.0246","","","0.0571","0.0607","","","","","","1.016","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072119","11.4667","0.0013","8.5646","0.0008","14.1478","0.0016","90","","98.271","0.009","90","","1375","0.3","143","2","143","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C30 H16 Au2 F6 Fe N2 -","- C30 H16 Au2 F6 Fe N2 -","- C60 H32 Au4 F12 Fe2 N4 -","2","0.5","","Siemeling, Ulrich; Rother, Dag; Bruhn, Clemens","Reactions of Gold(I) Acetylides with 1,1′-Diisocyanoferrocene: From Orthodox to Unorthodox Behavior","Organometallics","2008","27","24","6419","","10.1021/om8005992","","","0.71073","MoKα","","0.0829","0.0455","","","0.0819","0.091","","","","","","0.878","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072120","9.0781","0.0007","24.9236","0.0018","13.4933","0.0011","90","","128.191","0.005","90","","2399.5","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H18 Au2 Fe N2 -","- C28 H18 Au2 Fe N2 -","- C112 H72 Au8 Fe4 N8 -","4","1","","Siemeling, Ulrich; Rother, Dag; Bruhn, Clemens","Reactions of Gold(I) Acetylides with 1,1′-Diisocyanoferrocene: From Orthodox to Unorthodox Behavior","Organometallics","2008","27","24","6419","","10.1021/om8005992","","","0.71073","MoKα","","0.0539","0.0457","","","0.1044","0.1073","","","","","","1.004","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072121","8.4412","0.0012","11.8387","0.0018","14.197","0.002","87.29","0.012","81.08","0.011","84.569","0.012","1394.5","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H46 Au4 Cl2 Fe2 N4 O4 -","- C61 H46 Au4 Cl2 Fe2 N4 O4 -","- C61 H46 Au4 Cl2 Fe2 N4 O4 -","1","0.5","","Siemeling, Ulrich; Rother, Dag; Bruhn, Clemens","Reactions of Gold(I) Acetylides with 1,1′-Diisocyanoferrocene: From Orthodox to Unorthodox Behavior","Organometallics","2008","27","24","6419","","10.1021/om8005992","","","0.71073","MoKα","","0.1034","0.0614","","","0.1363","0.1478","","","","","","0.82","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072122","14.6431","0.0008","11.779","0.0005","27.4725","0.0015","90","","90","","90","","4738.5","0.4","143","2","143","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C58 H46 Au2 Fe3 P2 -","- C58 H46 Au2 Fe3 P2 -","- C232 H184 Au8 Fe12 P8 -","4","0.5","","Siemeling, Ulrich; Rother, Dag; Bruhn, Clemens","Reactions of Gold(I) Acetylides with 1,1′-Diisocyanoferrocene: From Orthodox to Unorthodox Behavior","Organometallics","2008","27","24","6419","","10.1021/om8005992","","","0.71073","MoKα","","0.0862","0.043","","","0.0808","0.09","","","","","","0.879","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072123","18.4915","0.0002","6.7105","0.0003","10.2849","0.0005","90","","90","","90","","1276.22","0.09","150","2","150","2","","","","","","","synthesized by the authors","5","P c a 21","P 2c -2ac","29","","","","- C5 H20 B9 N S -","- C5 H20 B9 N S -","- C20 H80 B36 N4 S4 -","4","1","","Perekalin, Dmitry S.; Glukhov, Ivan V.; Holub, Josef; Císařova, Ivana; Štíbr, Bohumil; Kudinov, Alexander R.","Iron and Cobalt Complexes with Thiacarborane Ligands","Organometallics","2008","27","20","5273","","10.1021/om800601u","","","0.71073","MoKα","","0.0342","0.0321","","","0.0787","0.0801","","","","","","1.143","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072124","9.441","0.002","15.717","0.004","22.341","0.005","90","","90","","90","","3315.1","1.3","120","2","120","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C10 H24 B9 Fe N S -","- C10 H24 B9 Fe N S -","- C80 H192 B72 Fe8 N8 S8 -","8","1","","Perekalin, Dmitry S.; Glukhov, Ivan V.; Holub, Josef; Císařova, Ivana; Štíbr, Bohumil; Kudinov, Alexander R.","Iron and Cobalt Complexes with Thiacarborane Ligands","Organometallics","2008","27","20","5273","","10.1021/om800601u","","","0.71073","MoKα","","0.1347","0.0537","","","0.1075","0.1629","","","","","","1.039","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072125","9.3712","0.0011","16.954","0.002","12.8825","0.0016","90","","97.711","0.002","90","","2028.3","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H31 B9 Co N S -","- C13 H31 B9 Co N S -","- C52 H124 B36 Co4 N4 S4 -","4","1","","Perekalin, Dmitry S.; Glukhov, Ivan V.; Holub, Josef; Císařova, Ivana; Štíbr, Bohumil; Kudinov, Alexander R.","Iron and Cobalt Complexes with Thiacarborane Ligands","Organometallics","2008","27","20","5273","","10.1021/om800601u","","","0.71073","MoKα","","0.0582","0.04","","","0.0925","0.1001","","","","","","0.98","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072126","6.7953","0.0003","13.234","0.0007","15.1439","0.0008","90","","94.436","0.001","90","","1357.8","0.12","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 B9 Fe O2 S -","- C6 H15 B9 Fe O2 S -","- C24 H60 B36 Fe4 O8 S4 -","4","1","","Perekalin, Dmitry S.; Glukhov, Ivan V.; Holub, Josef; Císařova, Ivana; Štíbr, Bohumil; Kudinov, Alexander R.","Iron and Cobalt Complexes with Thiacarborane Ligands","Organometallics","2008","27","20","5273","","10.1021/om800601u","","","0.71073","MoKα","","0.0653","0.0343","","","0.0667","0.0733","","","","","","1.011","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072127","18.4222","0.0017","23.949","0.002","18.8965","0.0018","90","","101.982","0.002","90","","8155.4","1.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H67 N3 O3 Zr -","- C39 H67 N3 O3 Zr -","- C312 H536 N24 O24 Zr8 -","8","2","","Ning, Yalan; Zhang, Yuetao; Rodriguez-Delgado, Antonio; Chen, Eugene Y.-X.","Neutral Metallocene Ester Enolate and Non-Metallocene Alkoxy Complexes of Zirconium for Catalytic Ring-Opening Polymerization of Cyclic Esters","Organometallics","2008","27","21","5632","","10.1021/om800602s","","","0.71073","MoKα","","0.0654","0.0498","","","0.1379","0.1485","","","","","","1.094","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072128","8.607","0.006","10.833","0.008","17.866","0.012","93.782","0.011","92.825","0.012","112.388","0.011","1531.9","1.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H32 N4 O4 Sn W -","- C30 H32 N4 O4 Sn W -","- C60 H64 N8 O8 Sn2 W2 -","2","1","","Xie, Yun-Fu; Wen, Zhen-Kang; Tan, Run-Yu; Hong, Juan; Zhao, Shu-Bin; Tang, Liang-Fu","Bis(3,5-dimethylpyrazol-1-yl)acyl and Bis(3,5-dimethylpyrazol-1-yl)methide Carbonyl Tungsten Derivatives","Organometallics","2008","27","21","5684","","10.1021/om800603p","","","0.71073","MoKα","","0.1095","0.0516","","","0.0806","0.0945","","","","","","0.925","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072129","7.1875","0.0013","14.16","0.003","9.0408","0.0016","90","","97.959","0.003","90","","911.3","0.3","294","2","294","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C15 H15 I N4 O4 W -","- C15 H15 I N4 O4 W -","- C30 H30 I2 N8 O8 W2 -","2","0.5","","Xie, Yun-Fu; Wen, Zhen-Kang; Tan, Run-Yu; Hong, Juan; Zhao, Shu-Bin; Tang, Liang-Fu","Bis(3,5-dimethylpyrazol-1-yl)acyl and Bis(3,5-dimethylpyrazol-1-yl)methide Carbonyl Tungsten Derivatives","Organometallics","2008","27","21","5684","","10.1021/om800603p","","","0.71073","MoKα","","0.054","0.0354","","","0.0693","0.0751","","","","","","1.025","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072130","10.6878","0.0016","12.4245","0.0018","17.41","0.003","74.486","0.003","75.947","0.003","65.769","0.002","2008","0.5","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H48 Cl4 N4 O3 Sn2 W -","- C32 H48 Cl4 N4 O3 Sn2 W -","- C64 H96 Cl8 N8 O6 Sn4 W2 -","2","1","","Xie, Yun-Fu; Wen, Zhen-Kang; Tan, Run-Yu; Hong, Juan; Zhao, Shu-Bin; Tang, Liang-Fu","Bis(3,5-dimethylpyrazol-1-yl)acyl and Bis(3,5-dimethylpyrazol-1-yl)methide Carbonyl Tungsten Derivatives","Organometallics","2008","27","21","5684","","10.1021/om800603p","","","0.71073","MoKα","","0.0686","0.0398","","","0.0787","0.0898","","","","","","0.984","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072131","9.196","0.002","14.033","0.003","14.305","0.003","81.941","0.005","81.338","0.004","73.698","0.004","1742.2","0.6","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 Cl N4 O3 W -","- C14 H15 Cl N4 O3 W -","- C56 H60 Cl4 N16 O12 W4 -","4","2","","Xie, Yun-Fu; Wen, Zhen-Kang; Tan, Run-Yu; Hong, Juan; Zhao, Shu-Bin; Tang, Liang-Fu","Bis(3,5-dimethylpyrazol-1-yl)acyl and Bis(3,5-dimethylpyrazol-1-yl)methide Carbonyl Tungsten Derivatives","Organometallics","2008","27","21","5684","","10.1021/om800603p","","","0.71073","MoKα","","0.1663","0.0566","","","0.085","0.1135","","","","","","0.891","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072132","11.036","0.0005","11.7476","0.0006","11.8519","0.0007","83.696","0.005","67.575","0.004","83.281","0.004","1407.05","0.13","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C60 H92 Cl2 Ti2 -","- C60 H92 Cl2 Ti2 -","- C60 H92 Cl2 Ti2 -","1","1","","Klahn, Marcus; Arndt, Perdita; Spannenberg, Anke; Gansäuer, Andreas; Rosenthal, Uwe","Menthyl-Substituted Group 4 Metallocene Dihalides","Organometallics","2008","27","22","5846","","10.1021/om800605x","","","0.71073","MoKα","","0.0903","0.0389","","","0.0492","0.0562","","","","","","0.709","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072133","15.502","0.002","15.502","0.002","5.8576","0.0012","90","","90","","90","","1407.7","0.4","200","2","200","2","","","","","","","","4","P 42","P 4c","77","","","","- C30 H46 F2 Zr -","- C30 H46 F2 Zr -","- C60 H92 F4 Zr2 -","2","0.5","","Klahn, Marcus; Arndt, Perdita; Spannenberg, Anke; Gansäuer, Andreas; Rosenthal, Uwe","Menthyl-Substituted Group 4 Metallocene Dihalides","Organometallics","2008","27","22","5846","","10.1021/om800605x","","","0.71073","MoKα","","0.0264","0.0179","","","0.04","0.0411","","","","","","0.902","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072134","13.362","0.003","25.112","0.005","6.5155","0.0013","90","","90","","90","","2186.3","0.8","200","2","200","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C42 H54 Cl2 Zr -","- C42 H54 Cl2 Zr -","- C84 H108 Cl4 Zr2 -","2","0.5","","Klahn, Marcus; Arndt, Perdita; Spannenberg, Anke; Gansäuer, Andreas; Rosenthal, Uwe","Menthyl-Substituted Group 4 Metallocene Dihalides","Organometallics","2008","27","22","5846","","10.1021/om800605x","","","0.71073","MoKα","","0.0439","0.0341","","","0.0703","0.072","","","","","","0.928","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072135","15.3372","0.001","15.3372","0.001","6.4757","0.0004","90","","90","","90","","1523.28","0.17","200","2","200","2","","","","","","","","4","P 42","P 4c","77","","","","- C30 H46 Cl2 Hf -","- C30 H46 Cl2 Hf -","- C60 H92 Cl4 Hf2 -","2","0.5","","Klahn, Marcus; Arndt, Perdita; Spannenberg, Anke; Gansäuer, Andreas; Rosenthal, Uwe","Menthyl-Substituted Group 4 Metallocene Dihalides","Organometallics","2008","27","22","5846","","10.1021/om800605x","","","0.71073","MoKα","","0.0345","0.0145","","","0.0238","0.0254","","","","","","0.829","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072136","15.3556","0.0015","15.3556","0.0015","5.7986","0.0006","90","","90","","90","","1367.3","0.2","200","2","200","2","","","","","","","","4","P 42","P 4c","77","","","","- C30 H46 F2 Ti -","- C30 H46 F2 Ti -","- C60 H92 F4 Ti2 -","2","0.5","","Klahn, Marcus; Arndt, Perdita; Spannenberg, Anke; Gansäuer, Andreas; Rosenthal, Uwe","Menthyl-Substituted Group 4 Metallocene Dihalides","Organometallics","2008","27","22","5846","","10.1021/om800605x","","","0.71073","MoKα","","0.1071","0.0518","","","0.055","0.0644","","","","","","0.79","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072137","15.4892","0.0005","15.4892","0.0005","5.86566","0.00019","90","","90","","90","","1407.26","0.08","200","2","200","2","","","","","","","","4","P 42","P 4c","77","","","","- C30 H46 F2 Hf -","- C30 H46 F2 Hf -","- C60 H92 F4 Hf2 -","2","0.5","","Klahn, Marcus; Arndt, Perdita; Spannenberg, Anke; Gansäuer, Andreas; Rosenthal, Uwe","Menthyl-Substituted Group 4 Metallocene Dihalides","Organometallics","2008","27","22","5846","","10.1021/om800605x","","","0.71073","MoKα","","0.0251","0.0129","","","0.0264","0.0276","","","","","","0.982","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072138","10.4372","0.0002","11.7904","0.0003","14.1541","0.0004","76.651","0.001","80.236","0.002","87.845","0.001","1670.18","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 N O2 -","- C22 H15 N O2 -","- C88 H60 N4 O8 -","4","2","","Chu, Jean-Ho; Chen, Chin-Chau; Wu, Ming-Jung","Palladium-Catalyzed Arylation and Alkylation of 3,5-Diphenylisoxazole with Boronic Acids via C−H Activation","Organometallics","2008","27","20","5173","","10.1021/om800606c","","","0.71073","MoKα","","0.0892","0.0513","","","0.1282","0.1599","","","","","","1.047","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072139","15.0024","0.0002","23.9112","0.0004","19.8972","0.0003","90","","104.317","0.001","90","","6915.95","0.18","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 N2 O6 Pd2 -","- C34 H26 N2 O6 Pd2 -","- C272 H208 N16 O48 Pd16 -","8","2","","Chu, Jean-Ho; Chen, Chin-Chau; Wu, Ming-Jung","Palladium-Catalyzed Arylation and Alkylation of 3,5-Diphenylisoxazole with Boronic Acids via C−H Activation","Organometallics","2008","27","20","5173","","10.1021/om800606c","","","0.71073","MoKα","","0.1033","0.058","","","0.1652","0.1974","","","","","","0.828","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072140","9.6108","0.0011","10.0711","0.0012","12.944","0.002","94.732","0.012","105.693","0.011","92.37","0.009","1199.4","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 N P2 Pt S2 -","- C23 H27 N P2 Pt S2 -","- C46 H54 N2 P4 Pt2 S4 -","2","1","","Lee, Kyung-Eun; Chang, Xiaohong; Kim, Yong-Joo; Huh, Hyun Sue; Lee, Soon W.","Reactivity of Bis(silyl)platinum(II) Complexes toward Organic Isothiocyanates: Preparation and Structures of (Dithiocarbonimidato)- and (Diphenylsilanedithiolato)platinum(II) Complexes,cis-[Pt(S2CNPh)L2] andcis-[Pt(S2SiPh2)L2] (L = PMe2Ph, PEt3; L-L = dppp)","Organometallics","2008","27","21","5566","","10.1021/om8006079","","","0.71073","MoKα","","0.0391","0.0298","","","0.0666","0.0707","","","","","","1.027","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072141","27.652","0.004","13.789","0.002","20.128","0.002","90","","112.905","0.011","90","","7069.5","1.7","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C35 H35 Cl2 N O P2 Pt S2 -","- C35 H33 Cl2 N O P2 Pt S2 -","- C280 H264 Cl16 N8 O8 P16 Pt8 S16 -","8","1","","Lee, Kyung-Eun; Chang, Xiaohong; Kim, Yong-Joo; Huh, Hyun Sue; Lee, Soon W.","Reactivity of Bis(silyl)platinum(II) Complexes toward Organic Isothiocyanates: Preparation and Structures of (Dithiocarbonimidato)- and (Diphenylsilanedithiolato)platinum(II) Complexes,cis-[Pt(S2CNPh)L2] andcis-[Pt(S2SiPh2)L2] (L = PMe2Ph, PEt3; L-L = dppp)","Organometallics","2008","27","21","5566","","10.1021/om8006079","","","0.71073","MoKα","","0.123","0.0586","","","0.1148","0.1392","","","","","","1.005","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072142","14.898","0.002","11.8386","0.0009","16.944","0.004","90","","106.882","0.013","90","","2859.7","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 P2 Pt S2 Si -","- C28 H32 P2 Pt S2 Si -","- C112 H128 P8 Pt4 S8 Si4 -","4","0.5","","Lee, Kyung-Eun; Chang, Xiaohong; Kim, Yong-Joo; Huh, Hyun Sue; Lee, Soon W.","Reactivity of Bis(silyl)platinum(II) Complexes toward Organic Isothiocyanates: Preparation and Structures of (Dithiocarbonimidato)- and (Diphenylsilanedithiolato)platinum(II) Complexes,cis-[Pt(S2CNPh)L2] andcis-[Pt(S2SiPh2)L2] (L = PMe2Ph, PEt3; L-L = dppp)","Organometallics","2008","27","21","5566","","10.1021/om8006079","","","0.71073","MoKα","","0.0262","0.0223","","","0.0543","0.0564","","","","","","1.042","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072143","17.707","0.002","13.5049","0.0019","11.8162","0.0012","90","","90","","90","","2825.6","0.6","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C24 H34 P2 Pt S2 Si -","- C24 H34 P2 Pt S2 Si -","- C96 H136 P8 Pt4 S8 Si4 -","4","0.5","","Lee, Kyung-Eun; Chang, Xiaohong; Kim, Yong-Joo; Huh, Hyun Sue; Lee, Soon W.","Reactivity of Bis(silyl)platinum(II) Complexes toward Organic Isothiocyanates: Preparation and Structures of (Dithiocarbonimidato)- and (Diphenylsilanedithiolato)platinum(II) Complexes,cis-[Pt(S2CNPh)L2] andcis-[Pt(S2SiPh2)L2] (L = PMe2Ph, PEt3; L-L = dppp)","Organometallics","2008","27","21","5566","","10.1021/om8006079","","","0.71073","MoKα","","0.0325","0.0292","","","0.074","0.0762","","","","","","1.066","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072144","24.6268","0.0015","24.6268","","11.061","0.0006","90","","90","","120","","5809.5","0.5","100","2","100","2","","","","","","","synthesis as described","6","P 31 2 1","P 31 2""","152","","","","- C42 H54 F24 N4 O10 Y2 -","- C42 H54 F24 N4 O10 Y2 -","- C126 H162 F72 N12 O30 Y6 -","3","0.5","","Grunova, Ekaterina; Kirillov, Evgueni; Roisnel, Thierry; Carpentier, Jean-François","Group 3 Metal Complexes of Salen-like Fluorous Dialkoxy−Diimino Ligands: Synthesis, Structure, and Application in Ring-Opening Polymerization ofrac-Lactide andrac-β-Butyrolactone","Organometallics","2008","27","21","5691","","10.1021/om800611c","","x-ray","0.71073","MoKα","","0.0843","0.0524","","","0.1152","0.1248","","","","","","0.944","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072145","17.5672","0.0008","18.3588","0.0009","27.1018","0.0013","90","","90","","90","","8740.7","0.7","100","2","100","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C35 H40 F24 La N4 O4 -","- C35 H40 F24 La N4 O4 -","- C280 H320 F192 La8 N32 O32 -","8","2","","Grunova, Ekaterina; Kirillov, Evgueni; Roisnel, Thierry; Carpentier, Jean-François","Group 3 Metal Complexes of Salen-like Fluorous Dialkoxy−Diimino Ligands: Synthesis, Structure, and Application in Ring-Opening Polymerization ofrac-Lactide andrac-β-Butyrolactone","Organometallics","2008","27","21","5691","","10.1021/om800611c","","x-ray","0.71073","MoKα","","0.0321","0.0292","","","0.0708","0.0723","","","","","","1.04","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072146","18.0582","0.0008","22.6925","0.0009","18.8519","0.0009","90","","92.771","0.004","90","","7716.2","0.6","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C81 H88 Cl4 N10 O4 P2 Ru2 -","- C81 H88 Cl4 N10 O4 P2 Ru2 -","- C324 H352 Cl16 N40 O16 P8 Ru8 -","4","1","","Kopf, Henning; Holzberger, Bastian; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai","Neutral Ruthenium Carbene Complexes bearing N,N,O Heteroscorpionate Ligands: Syntheses and Activity in Metathesis Reactions","Organometallics","2008","27","22","5894","","10.1021/om8006129","","x-ray","0.71073","MoKα","","0.0698","0.0438","","","0.0858","0.0945","","","","","","1.023","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072147","15.35","0.003","10.613","0.002","25.671","0.005","90","","98.78","0.03","90","","4133","1.4","100","2","100","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C34.5 H49 Cl4 N4 O2 P Ru -","- C34.5 H49 Cl4 N4 O2 P Ru -","- C138 H196 Cl16 N16 O8 P4 Ru4 -","4","1","","Kopf, Henning; Holzberger, Bastian; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai","Neutral Ruthenium Carbene Complexes bearing N,N,O Heteroscorpionate Ligands: Syntheses and Activity in Metathesis Reactions","Organometallics","2008","27","22","5894","","10.1021/om8006129","","","0.71073","MoKα","","0.1185","0.0688","","","0.1719","0.1955","","","","","","0.978","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4072148","32.805","0.01","14.103","0.007","20.868","0.009","90","","110.59","0.03","90","","9038","7","188","2","188","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H63 Cl4 N4 O2 P Ru -","- C41 H63 Cl4 N4 O2 P Ru -","- C328 H504 Cl32 N32 O16 P8 Ru8 -","8","1","","Kopf, Henning; Holzberger, Bastian; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai","Neutral Ruthenium Carbene Complexes bearing N,N,O Heteroscorpionate Ligands: Syntheses and Activity in Metathesis Reactions","Organometallics","2008","27","22","5894","","10.1021/om8006129","","","0.71073","MoKα","","0.0749","0.047","","","0.1012","0.1133","","","","","","1.014","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072149","14.278","0.003","18.997","0.004","16.217","0.003","90","","115.07","0.03","90","","3984.3","1.7","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C39 H40 Cl5 N4 O2 P Ru -","- C39 H40 Cl5 N4 O2 P Ru -","- C156 H160 Cl20 N16 O8 P4 Ru4 -","4","1","","Kopf, Henning; Holzberger, Bastian; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai","Neutral Ruthenium Carbene Complexes bearing N,N,O Heteroscorpionate Ligands: Syntheses and Activity in Metathesis Reactions","Organometallics","2008","27","22","5894","","10.1021/om8006129","","","0.71073","MoKα","","0.0657","0.0484","","","0.122","0.1256","","","","","","0.923","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072150","14.925","0.003","17.76","0.003","9.3659","0.0018","90","","99.702","0.003","90","","2447.1","0.8","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C21 H27 I2 N5 O Ru -","- C21 H27 I2 N5 O Ru -","- C84 H108 I8 N20 O4 Ru4 -","4","1","","Zeng, Fanlong; Yu, Zhengkun","Ruthenium(II) Complexes Bearing a Pyridyl-Supported Pyrazolyl−N-Heterocyclic Carbene (NNC) Ligand and Their Catalytic Activity in the Transfer Hydrogenation of Ketones","Organometallics","2008","27","22","6025","","10.1021/om8006213","","","0.71073","MoKα","","0.0582","0.057","","","0.1504","0.1516","","","","","","1.047","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072151","8.5406","0.0016","16.293","0.003","15.827","0.003","90","","98.717","0.002","90","","2176.9","0.7","120","1","120","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H30 I2 U -","- C20 H30 I2 U -","- C80 H120 I8 U4 -","4","1","","Graves, Christopher R.; Schelter, Eric J.; Cantat, Thibault; Scott, Brian L.; Kiplinger, Jaqueline L.","A Mild Protocol To Generate Uranium(IV) Mixed-Ligand Metallocene Complexes using Copper(I) Iodide","Organometallics","2008","27","20","5371","","10.1021/om800622g","","","0.71073","MoKα","","0.0708","0.0476","","","0.1289","0.1401","","","","","","1.194","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072152","9.76","0.002","17.856","0.004","18.371","0.004","95.73","0.03","100.47","0.03","93.31","0.03","3123.1","1.2","141","2","141","2","","","","","","","","6","P -1","-P 1","2","","","","- C22.5 H51.5 I N Si2 U -","- C27.5 H51.5 I N Si2 U -","- C110 H206 I4 N4 Si8 U4 -","4","2","","Graves, Christopher R.; Schelter, Eric J.; Cantat, Thibault; Scott, Brian L.; Kiplinger, Jaqueline L.","A Mild Protocol To Generate Uranium(IV) Mixed-Ligand Metallocene Complexes using Copper(I) Iodide","Organometallics","2008","27","20","5371","","10.1021/om800622g","","","0.71073","MoKα","","0.041","0.0264","","","0.0469","0.0496","","","","","","0.983","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072153","16.5602","0.0017","18.6484","0.0019","19.595","0.002","90","","90","","90","","6051.4","1.1","120","1","120","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H47 I O U -","- C32 H47 I O U -","- C256 H376 I8 O8 U8 -","8","2","","Graves, Christopher R.; Schelter, Eric J.; Cantat, Thibault; Scott, Brian L.; Kiplinger, Jaqueline L.","A Mild Protocol To Generate Uranium(IV) Mixed-Ligand Metallocene Complexes using Copper(I) Iodide","Organometallics","2008","27","20","5371","","10.1021/om800622g","","","0.71073","MoKα","","0.0493","0.0359","","","0.0685","0.0739","","","","","","1.029","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072154","8.753","0.003","15.573","0.005","11.017","0.003","90","","110.86","","90","","1403.3","0.8","120","1","120","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C26 H48 N Si2 U -","- C26 H47 N Si2 U -","- C52 H94 N2 Si4 U2 -","2","0.5","","Graves, Christopher R.; Schelter, Eric J.; Cantat, Thibault; Scott, Brian L.; Kiplinger, Jaqueline L.","A Mild Protocol To Generate Uranium(IV) Mixed-Ligand Metallocene Complexes using Copper(I) Iodide","Organometallics","2008","27","20","5371","","10.1021/om800622g","","","0.71073","MoKα","","0.1049","0.0787","","","0.2064","0.2123","","","","","","1.539","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072155","9.2465","0.0009","10.885","0.0011","13.7791","0.0014","86.5926","0.0014","80.0815","0.0014","80.0828","0.0015","1345.1","0.2","120","1","120","1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H44 N U -","- C32 H39 N U -","- C64 H78 N2 U2 -","2","1","","Graves, Christopher R.; Schelter, Eric J.; Cantat, Thibault; Scott, Brian L.; Kiplinger, Jaqueline L.","A Mild Protocol To Generate Uranium(IV) Mixed-Ligand Metallocene Complexes using Copper(I) Iodide","Organometallics","2008","27","20","5371","","10.1021/om800622g","","","0.71073","MoKα","","0.0441","0.0374","","","0.0842","0.0875","","","","","","0.826","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072156","12.7591","0.0006","14.5248","0.0009","17.2981","0.0011","111.594","0.002","100.07","0.003","104.797","0.003","2750","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H76 Cl2 Cu2 N2 O2 -","- C54 H76 Cl2 Cu2 N2 O2 -","- C108 H152 Cl4 Cu4 N4 O4 -","2","1","","Olson, Jeremy A.; Boyd, Ramon; Quail, J. Wilson; Foley, Stephen R.","Copper(II) Ethylene Polymerization Catalysts: Do They Really Exist?","Organometallics","2008","27","20","5333","","10.1021/om800625f","","","0.71073","MoKα","","0.0832","0.0513","","","0.1097","0.1244","","","","","","1.054","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072157","8.4373","0.0005","9.7007","0.0005","19.346","0.0011","82.033","0.004","80.769","0.003","69.565","0.003","1458.71","0.14","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H49 Al N2 -","- C31 H49 Al N2 -","- C62 H98 Al2 N4 -","2","1","","Olson, Jeremy A.; Boyd, Ramon; Quail, J. Wilson; Foley, Stephen R.","Copper(II) Ethylene Polymerization Catalysts: Do They Really Exist?","Organometallics","2008","27","20","5333","","10.1021/om800625f","","","0.71073","MoKα","","0.1131","0.068","","","0.1356","0.1552","","","","","","1.033","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072158","16.4243","0.0002","16.4243","0.0002","47.099","0.0004","90","","90","","120","","11003.1","0.2","200","","200","","","","","","","","?","7","P 61 2 2","P 61 2 (0 0 5)","178","","","","- C38.73 H37.2 As Cl0.53 F6 O1.37 P2 -","- C38.734 H37.1999 As Cl0.532 F6 O1.367 P2 -","- C464.808 H446.399 As12 Cl6.384 F72 O16.404 P24 -","12","1","","Coote, Michelle L.; Krenske, Elizabeth H.; Porter, Keith A.; Weir, Michelle L.; Willis, Anthony C.; Zhou, Xiangting; Wild, S. Bruce","Asymmetric Synthesis of a Tertiary Arsine by Nucleophilic Addition to a Chiral Phosphine-Stabilized Arsenium Salt","Organometallics","2008","27","19","5099","","10.1021/om8006272","","","0.71073","MoKα","","0.0464","0.0366","","0.0432","0.0386","0.0386","","","","","","1.1271","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072159","9.9468","0.0001","13.537","0.0002","18.6809","0.0002","90","","90","","90","","2515.38","0.05","200","","200","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 As Cl N Pd -","- C25 H31.83 As Cl N Pd -","- C100 H127.32 As4 Cl4 N4 Pd4 -","4","1","","Coote, Michelle L.; Krenske, Elizabeth H.; Porter, Keith A.; Weir, Michelle L.; Willis, Anthony C.; Zhou, Xiangting; Wild, S. Bruce","Asymmetric Synthesis of a Tertiary Arsine by Nucleophilic Addition to a Chiral Phosphine-Stabilized Arsenium Salt","Organometallics","2008","27","19","5099","","10.1021/om8006272","","","0.7107","MoKα","","0.0425","0.0309","","0.0362","","0.0321","","","0.746","","","0.734","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072160","16.4293","0.0014","8.8025","0.0007","17.288","0.0015","90","","103.974","0.002","90","","2426.2","0.4","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Tetrakis-μ-(pyrrolidinato)-bis(acetonitrile)dirhodium(II) sequihydrate","","- C40 H66 N12 O11 Rh4 -","- C40 H66 N12 O11 Rh4 -","- C80 H132 N24 O22 Rh8 -","2","0.5","","Wolf, Joffrey; Poli, Rinaldo; Xie, Jian-Hua; Nichols, Jason; Xi, Bin; Zavalij, Peter; Doyle, Michael P.","Removal of Metal−Metal Bonding in a Dimetallic Paddlewheel Complex: Molecular and Electronic Structure of Bis(phenyl) Dirhodium(III) Carboxamidate Compounds","Organometallics","2008","27","22","5836","","10.1021/om800631b","","","0.71073","MoKα","","0.0315","0.0273","","","0.0645","0.0692","","","","","","1","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4072161","18.983","0.0019","18.6893","0.0019","8.7736","0.0009","90","","95.933","0.002","90","","3096","0.5","220","2","220","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis-μ-(valerolactamate)-bis(acetonitrile)dirhodium(II) tetrahydrate","","- C24 H46 N6 O8 Rh2 -","- C24 H46 N6 O8 Rh2 -","- C96 H184 N24 O32 Rh8 -","4","1","","Wolf, Joffrey; Poli, Rinaldo; Xie, Jian-Hua; Nichols, Jason; Xi, Bin; Zavalij, Peter; Doyle, Michael P.","Removal of Metal−Metal Bonding in a Dimetallic Paddlewheel Complex: Molecular and Electronic Structure of Bis(phenyl) Dirhodium(III) Carboxamidate Compounds","Organometallics","2008","27","22","5836","","10.1021/om800631b","","","0.71073","MoKα","","0.0381","0.0309","","","0.0649","0.0677","","","","","","1","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4072162","9.371","0.0008","15.8919","0.0013","23.994","0.002","90","","97.408","0.002","90","","3543.4","0.5","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Tetrakis-μ-(caprolactamate)-bis(acetonitrile)dirhodium(II) bisacetonitrile","","- C32 H52 N8 O4 Rh2 -","- C32 H52 N8 O4 Rh2 -","- C128 H208 N32 O16 Rh8 -","4","1","","Wolf, Joffrey; Poli, Rinaldo; Xie, Jian-Hua; Nichols, Jason; Xi, Bin; Zavalij, Peter; Doyle, Michael P.","Removal of Metal−Metal Bonding in a Dimetallic Paddlewheel Complex: Molecular and Electronic Structure of Bis(phenyl) Dirhodium(III) Carboxamidate Compounds","Organometallics","2008","27","22","5836","","10.1021/om800631b","","","0.71073","MoKα","","0.0594","0.0429","","","0.0875","0.0923","","","","","","1","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4072163","8.1512","0.0014","15.89","0.003","13.803","0.002","90","","97.983","0.003","90","","1770.5","0.5","220","2","220","2","","","","","","","","8","P 1 21 1","P 2yb","4","","Tetrakis-μ-(pyrrolidinato)-bis(benzonitrile)dirhodium(II,III) tetrafluoroborate","","- C30.7 H35.4 B Cl1.4 F4 N6 O4 Rh2 -","- C30.704 H35.408 B Cl1.408 F4 N6 O4 Rh2 -","- C61.408 H70.816 B2 Cl2.816 F8 N12 O8 Rh4 -","2","1","","Wolf, Joffrey; Poli, Rinaldo; Xie, Jian-Hua; Nichols, Jason; Xi, Bin; Zavalij, Peter; Doyle, Michael P.","Removal of Metal−Metal Bonding in a Dimetallic Paddlewheel Complex: Molecular and Electronic Structure of Bis(phenyl) Dirhodium(III) Carboxamidate Compounds","Organometallics","2008","27","22","5836","","10.1021/om800631b","","","0.71073","MoKα","","0.0418","0.0351","","","0.0774","0.0798","","","","","","1","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4072164","12.4694","0.0006","17.4131","0.0008","13.4049","0.0006","90","","110.823","0.001","90","","2720.5","0.2","220","2","220","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","Tetrakis-μ-(valerolactamate)-bis(hydrate)dirhodium(II,III) tetrafluoroborate","","- C20 H36 B F4 N4 O6 Rh2 -","- C20 H36 B F4 N4 O6 Rh2 -","- C80 H144 B4 F16 N16 O24 Rh8 -","4","0.5","","Wolf, Joffrey; Poli, Rinaldo; Xie, Jian-Hua; Nichols, Jason; Xi, Bin; Zavalij, Peter; Doyle, Michael P.","Removal of Metal−Metal Bonding in a Dimetallic Paddlewheel Complex: Molecular and Electronic Structure of Bis(phenyl) Dirhodium(III) Carboxamidate Compounds","Organometallics","2008","27","22","5836","","10.1021/om800631b","","","0.71073","MoKα","","0.0294","0.0242","","","0.0527","0.0544","","","","","","1","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072165","20.7453","0.0009","16.8043","0.0007","9.9841","0.0004","90","","90","","90","","3480.6","0.3","223","2","223","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","Tetrakis-μ-(caprolactamate)-bis(acetonitrile)dirhodium(II,III) tetrafluoroborate","","- C28 H46 B F4 N6 O4 Rh2 -","- C28 H46 B F4 N6 O4 Rh2 -","- C112 H184 B4 F16 N24 O16 Rh8 -","4","0.5","","Wolf, Joffrey; Poli, Rinaldo; Xie, Jian-Hua; Nichols, Jason; Xi, Bin; Zavalij, Peter; Doyle, Michael P.","Removal of Metal−Metal Bonding in a Dimetallic Paddlewheel Complex: Molecular and Electronic Structure of Bis(phenyl) Dirhodium(III) Carboxamidate Compounds","Organometallics","2008","27","22","5836","","10.1021/om800631b","","","0.71073","MoKα","","0.0613","0.0331","","","0.064","0.0693","","","","","","1","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072166","8.2971","0.0013","11.5643","0.0018","14.67","0.002","78.139","0.003","81.744","0.002","79.456","0.003","1346","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","Bis-σ-(phenyl)tetrakis-μ-(pyrrolidinato)-dirhodium(III)","","- C28 H34 N4 O4 Rh2 -","- C28 H34 N4 O4 Rh2 -","- C56 H68 N8 O8 Rh4 -","2","1","","Wolf, Joffrey; Poli, Rinaldo; Xie, Jian-Hua; Nichols, Jason; Xi, Bin; Zavalij, Peter; Doyle, Michael P.","Removal of Metal−Metal Bonding in a Dimetallic Paddlewheel Complex: Molecular and Electronic Structure of Bis(phenyl) Dirhodium(III) Carboxamidate Compounds","Organometallics","2008","27","22","5836","","10.1021/om800631b","","","0.71073","MoKα","","0.0746","0.0569","","","0.1244","0.1297","","","","","","1","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072167","8.3492","0.0006","12.2916","0.0008","14.5016","0.001","90","","90.191","0.001","90","","1488.22","0.18","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Bis-σ-(phenyl)-tetrakis-μ-(valerolactamato)-dirhodium(III)","","- C32 H42 N4 O4 Rh2 -","- C32 H42 N4 O4 Rh2 -","- C64 H84 N8 O8 Rh4 -","2","0.5","","Wolf, Joffrey; Poli, Rinaldo; Xie, Jian-Hua; Nichols, Jason; Xi, Bin; Zavalij, Peter; Doyle, Michael P.","Removal of Metal−Metal Bonding in a Dimetallic Paddlewheel Complex: Molecular and Electronic Structure of Bis(phenyl) Dirhodium(III) Carboxamidate Compounds","Organometallics","2008","27","22","5836","","10.1021/om800631b","","","0.71073","MoKα","","0.0401","0.0327","","","0.084","0.087","","","","","","1","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072168","13.6022","0.0008","8.5341","0.0005","18.0885","0.0011","90","","90.447","0.001","90","","2099.7","0.2","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C54 H44 P2 Pt -","- C54 H44 P2 Pt -","- C108 H88 P4 Pt2 -","2","0.5","","Sadowy, Amber L.; Ferguson, Michael J.; McDonald, Robert; Tykwinski, Rik R.","Chiralcis-Platinum Acetylide Complexes via Diphosphine Ligand Exchange: Effect of the Ligand","Organometallics","2008","27","23","6321","","10.1021/om800633h","","","0.71073","MoKα","","0.0404","0.025","","","0.0677","0.0736","","","","","","1.102","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072169","9.8524","0.0009","18.986","0.0018","19.524","0.0018","90","","90","","90","","3652.1","0.6","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H44 Cl2 P2 Pt -","- C37 H44 Cl2 P2 Pt -","- C148 H176 Cl8 P8 Pt4 -","4","1","","Sadowy, Amber L.; Ferguson, Michael J.; McDonald, Robert; Tykwinski, Rik R.","Chiralcis-Platinum Acetylide Complexes via Diphosphine Ligand Exchange: Effect of the Ligand","Organometallics","2008","27","23","6321","","10.1021/om800633h","","","0.71073","MoKα","","0.0217","0.0203","","","0.0518","0.0573","","","","","","1.091","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072170","10.95","0.002","17.141","0.003","20.219","0.004","69.65","0.03","84.14","0.03","82.15","0.03","3518.7","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H88 B20 K La O7 -","- C50 H88 B20 K La O7 -","- C100 H176 B40 K2 La2 O14 -","2","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of Constrained-Geometry Organolanthanide Chlorides and Alkyls Incorporating the Ligand [η5:σ-(C9H6)C2B10H10]2−","Organometallics","2008","27","20","5309","","10.1021/om8006344","","","0.71073","MoKα","","0.1065","0.0917","","","0.2508","0.2745","","","","","","1.073","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072171","10.3117","0.0009","15.4772","0.0013","16.0368","0.0014","61.719","0.001","76.49","0.001","73.435","0.001","2145.6","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H96 B20 Cl4 K2 O8 Y2 -","- C54 H96 B20 Cl4 K2 O8 Y2 -","- C54 H96 B20 Cl4 K2 O8 Y2 -","1","0.5","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of Constrained-Geometry Organolanthanide Chlorides and Alkyls Incorporating the Ligand [η5:σ-(C9H6)C2B10H10]2−","Organometallics","2008","27","20","5309","","10.1021/om8006344","","","0.71073","MoKα","","0.1204","0.0822","","","0.2709","0.3005","","","","","","1.085","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072172","15.9672","0.0016","10.634","0.0011","22.436","0.002","90","","103.323","0.002","90","","3707","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H96 B20 Cl4 Gd2 K2 O8 -","- C54 H96 B20 Cl4 Gd2 K2 O8 -","- C108 H192 B40 Cl8 Gd4 K4 O16 -","2","0.5","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of Constrained-Geometry Organolanthanide Chlorides and Alkyls Incorporating the Ligand [η5:σ-(C9H6)C2B10H10]2−","Organometallics","2008","27","20","5309","","10.1021/om8006344","","","0.71073","MoKα","","0.0712","0.0448","","","0.089","0.0976","","","","","","0.974","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072173","16.4219","0.0013","17.2152","0.0014","28.682","0.002","90","","120.51","0.002","90","","6985.9","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 B10 N O3 Y -","- C28 H46 B10 N O3 Y -","- C224 H368 B80 N8 O24 Y8 -","8","2","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of Constrained-Geometry Organolanthanide Chlorides and Alkyls Incorporating the Ligand [η5:σ-(C9H6)C2B10H10]2−","Organometallics","2008","27","20","5309","","10.1021/om8006344","","","0.71073","MoKα","","0.2514","0.0838","","","0.1908","0.2759","","","","","","0.948","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072174","8.8115","0.0009","10.4327","0.001","12.6598","0.0013","90","","90","","90","","1163.8","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C4 H15 B10 N O -","- C4 H15 B10 N O -","- C16 H60 B40 N4 O4 -","4","1","","Mukhin, Sergey N.; Kabytaev, Kuanysh Z.; Zhigareva, Galina G.; Glukhov, Ivan V.; Starikova, Zoya A.; Bregadze, Vladimir I.; Beletskaya, Irina P.","Catalytic Amidation of 9-Iodo-m-carborane and 2-Iodo-p-carborane at a Boron Atom","Organometallics","2008","27","22","5937","","10.1021/om800635d","","","0.71073","MoKα","","0.045","0.0394","","","0.0948","0.0992","","","","","","0.985","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072175","11.0222","0.0016","15.039","0.002","20.857","0.003","90","","90","","90","","3457.3","0.8","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10.5 H20 B10 Cl N O -","- C10.5 H20 B10 Cl N O -","- C84 H160 B80 Cl8 N8 O8 -","8","2","","Mukhin, Sergey N.; Kabytaev, Kuanysh Z.; Zhigareva, Galina G.; Glukhov, Ivan V.; Starikova, Zoya A.; Bregadze, Vladimir I.; Beletskaya, Irina P.","Catalytic Amidation of 9-Iodo-m-carborane and 2-Iodo-p-carborane at a Boron Atom","Organometallics","2008","27","22","5937","","10.1021/om800635d","","","0.71073","MoKα","","0.0881","0.0649","","","0.1391","0.1473","","","","","","0.975","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072176","16.7029","0.0008","7.4094","0.0004","19.8847","0.0009","90","","90","","90","","2460.9","0.2","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H17 B10 N O -","- C6 H17 B10 N O -","- C48 H136 B80 N8 O8 -","8","2","","Mukhin, Sergey N.; Kabytaev, Kuanysh Z.; Zhigareva, Galina G.; Glukhov, Ivan V.; Starikova, Zoya A.; Bregadze, Vladimir I.; Beletskaya, Irina P.","Catalytic Amidation of 9-Iodo-m-carborane and 2-Iodo-p-carborane at a Boron Atom","Organometallics","2008","27","22","5937","","10.1021/om800635d","","","0.71073","MoKα","","0.0365","0.0343","","","0.0935","0.0956","","","","","","1.039","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072177","13.2117","0.0009","14.6163","0.0012","15.5367","0.0014","92.319","0.004","109.009","0.004","89.863","0.003","2834.1","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H44 F12 Fe2 O2 P2 -","- C56 H44 F12 Fe2 O2 P2 -","- C112 H88 F24 Fe4 O4 P4 -","2","1","","Ba, Fatou; Cabon, Nolwenn; Robin-Le Guen, Françoise; Le Poul, Pascal; Le Poul, Nicolas; Le Mest, Yves; Golhen, Stéphane; Caro, Bertrand","Diferrocenylbispyrylium Salts and Electron-Rich Diferrocenylbispyran from Oxidative Coupling of Ferrocenylpyran. Induced Electron Transfer C−C Bond Making/Breaking Involving a Metallocenyl Radical Intermediate","Organometallics","2008","27","24","6396","","10.1021/om800638q","","","0.71073","MoKα","","0.1671","0.0824","","","0.2198","0.2631","","","","","","0.896","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072178","12.9686","0.0003","16.0334","0.0003","21.869","0.0005","109.837","0.001","99.327","0.001","90.918","0.001","4208.49","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C56 H42 Fe2 O2 -","- C56 H42 Fe2 O2 -","- C224 H168 Fe8 O8 -","4","2","","Ba, Fatou; Cabon, Nolwenn; Robin-Le Guen, Françoise; Le Poul, Pascal; Le Poul, Nicolas; Le Mest, Yves; Golhen, Stéphane; Caro, Bertrand","Diferrocenylbispyrylium Salts and Electron-Rich Diferrocenylbispyran from Oxidative Coupling of Ferrocenylpyran. Induced Electron Transfer C−C Bond Making/Breaking Involving a Metallocenyl Radical Intermediate","Organometallics","2008","27","24","6396","","10.1021/om800638q","","","0.71073","MoKα","","0.1654","0.0711","","","0.1709","0.2271","","","","","","1.019","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072179","17.949","0.002","10.2839","0.0012","20.216","0.002","90","","102.473","0.003","90","","3643.5","0.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C33 H46 F12 Mo N2 O2 -","- C33 H46 F12 Mo N2 O2 -","- C132 H184 F48 Mo4 N8 O8 -","4","1","","Lokare, Kapil S.; Staples, Richard J.; Odom, Aaron L.","Synthesis, Properties, and Structure of Tethered Molybdenum Alkylidenes","Organometallics","2008","27","19","5130","","10.1021/om800650v","","","0.71073","MoKα","","0.0995","0.0428","","","0.0837","0.1002","","","","","","0.924","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072180","10.55","0.003","13.514","0.003","15.842","0.004","102.763","0.005","90.02","0.005","107.753","0.005","2092.4","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H56 F12 Mo N2 O3 -","- C37 H56 F12 Mo N2 O3 -","- C74 H112 F24 Mo2 N4 O6 -","2","1","","Lokare, Kapil S.; Staples, Richard J.; Odom, Aaron L.","Synthesis, Properties, and Structure of Tethered Molybdenum Alkylidenes","Organometallics","2008","27","19","5130","","10.1021/om800650v","","","0.71073","MoKα","","0.1121","0.0535","","","0.1159","0.1356","","","","","","0.941","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072181","9.82","0.003","14.543","0.004","15.017","0.004","94.018","0.005","105.146","0.005","107.555","0.005","1947.7","1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C38.5 H66 Mo N2 -","- C38.5 H66 Mo N2 -","- C77 H132 Mo2 N4 -","2","1","","Lokare, Kapil S.; Staples, Richard J.; Odom, Aaron L.","Synthesis, Properties, and Structure of Tethered Molybdenum Alkylidenes","Organometallics","2008","27","19","5130","","10.1021/om800650v","","x-ray","0.71073","MoKα","","0.0968","0.0702","","","0.1806","0.2023","","","","","","1.051","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072182","34.32","0.02","14.82","0.01","14.379","0.009","90","","90","","90","","7313","8","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C26 H41 F6 Mo N O8.5 S2 -","- C26 H41 F6 Mo N O8.5 S2 -","- C208 H328 F48 Mo8 N8 O68 S16 -","8","1","","Lokare, Kapil S.; Staples, Richard J.; Odom, Aaron L.","Synthesis, Properties, and Structure of Tethered Molybdenum Alkylidenes","Organometallics","2008","27","19","5130","","10.1021/om800650v","","x-ray","0.71073","MoKα","","0.1898","0.1401","","","0.2882","0.3081","","","","","","1.197","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072183","7.3782","0.0016","22.163","0.005","7.7542","0.0014","90","","91.228","0.007","90","","1267.7","0.5","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 F12 N2 O2 -","- C22 H32 F12 N2 O2 -","- C44 H64 F24 N4 O4 -","2","0.5","","Bouyahyi, Miloud; Grunova, Ekaterina; Marquet, Nicolas; Kirillov, Evgueni; Thomas, Christophe M.; Roisnel, Thierry; Carpentier, Jean-François","Aluminum Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters","Organometallics","2008","27","22","5815","","10.1021/om800651z","","x-ray","0.71073","MoKα","","0.0727","0.0603","","","0.1128","0.1173","","","","","","1.189","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072184","12.0774","0.0005","12.4309","0.0005","16.7774","0.0006","74.731","0.002","89.694","0.002","66.091","0.002","2206.68","0.16","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C18 H22 F12 N2 O2 -","- C18 H22 F12 N2 O2 -","- C72 H88 F48 N8 O8 -","4","2","","Bouyahyi, Miloud; Grunova, Ekaterina; Marquet, Nicolas; Kirillov, Evgueni; Thomas, Christophe M.; Roisnel, Thierry; Carpentier, Jean-François","Aluminum Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters","Organometallics","2008","27","22","5815","","10.1021/om800651z","","x-ray","0.71073","MoKα","","0.0484","0.0398","","","0.1151","0.1259","","","","","","1.067","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072185","11.0304","0.0007","13.3518","0.0009","13.8804","0.001","90","","112.863","0.003","90","","1883.6","0.2","100","2","100","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H15 Al F12 N2 O3 -","- C14 H15 Al F12 N2 O3 -","- C56 H60 Al4 F48 N8 O12 -","4","1","","Bouyahyi, Miloud; Grunova, Ekaterina; Marquet, Nicolas; Kirillov, Evgueni; Thomas, Christophe M.; Roisnel, Thierry; Carpentier, Jean-François","Aluminum Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters","Organometallics","2008","27","22","5815","","10.1021/om800651z","","x-ray","0.71073","MoKα","","0.0591","0.0369","","","0.0955","0.1117","","","","","","1.073","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072186","8.0836","0.0004","10.2938","0.0006","15.0534","0.0007","102.211","0.003","105.267","0.002","100.619","0.002","1142.17","0.11","100","2","100","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C19 H23 Al F12 N2 O2 -","- C19 H23 Al F12 N2 O2 -","- C38 H46 Al2 F24 N4 O4 -","2","1","","Bouyahyi, Miloud; Grunova, Ekaterina; Marquet, Nicolas; Kirillov, Evgueni; Thomas, Christophe M.; Roisnel, Thierry; Carpentier, Jean-François","Aluminum Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters","Organometallics","2008","27","22","5815","","10.1021/om800651z","","x-ray","0.71073","MoKα","","0.047","0.0415","","","0.1082","0.1124","","","","","","1.025","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072187","10.5749","0.0013","15.88","0.002","16.688","0.002","70.161","0.007","79.861","0.007","85.599","0.007","2594.5","0.6","100","2","100","2","","","","","","","synthesis as described","6","P 1","P 1","1","","","","- C21 H27 Al F12 N2 O3 -","- C21 H27 Al F12 N2 O3 -","- C84 H108 Al4 F48 N8 O12 -","4","4","","Bouyahyi, Miloud; Grunova, Ekaterina; Marquet, Nicolas; Kirillov, Evgueni; Thomas, Christophe M.; Roisnel, Thierry; Carpentier, Jean-François","Aluminum Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters","Organometallics","2008","27","22","5815","","10.1021/om800651z","","x-ray","0.71073","MoKα","","0.1877","0.07","","","0.1103","0.1482","","","","","","0.933","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072188","12.3309","0.0008","26.0824","0.0019","33.405","0.002","90","","90","","90","","10743.7","1.2","100","2","100","2","","","","","","","synthesis as described","6","F 2 d d","F -2d 2","43","","","","- C23 H33 Al F12 N2 O2 -","- C23 H33 Al F12 N2 O2 -","- C368 H528 Al16 F192 N32 O32 -","16","1","","Bouyahyi, Miloud; Grunova, Ekaterina; Marquet, Nicolas; Kirillov, Evgueni; Thomas, Christophe M.; Roisnel, Thierry; Carpentier, Jean-François","Aluminum Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters","Organometallics","2008","27","22","5815","","10.1021/om800651z","","x-ray","0.71073","MoKα","","0.0394","0.0382","","","0.0937","0.0945","","","","","","1.08","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072189","12.2935","0.0007","25.7402","0.0014","33.4121","0.0019","90","","90","","90","","10572.8","1","100","2","100","2","","","","","","","synthesis as described","7","F 2 d d","F -2d 2","43","","","","- C22 H30 Al Cl F12 N2 O2 -","- C22 H30 Al Cl F12 N2 O2 -","- C352 H480 Al16 Cl16 F192 N32 O32 -","16","1","","Bouyahyi, Miloud; Grunova, Ekaterina; Marquet, Nicolas; Kirillov, Evgueni; Thomas, Christophe M.; Roisnel, Thierry; Carpentier, Jean-François","Aluminum Complexes of Fluorinated Dialkoxy-Diimino Salen-like Ligands: Syntheses, Structures, and Use in Ring-Opening Polymerization of Cyclic Esters","Organometallics","2008","27","22","5815","","10.1021/om800651z","","x-ray","0.71073","MoKα","","0.0486","0.0418","","","0.0988","0.103","","","","","","1.06","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072190","10.9457","0.0012","12.8989","0.0011","11.2301","0.0011","90","","104.899","0.009","90","","1532.2","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H40 O2 P2 -","- C34 H40 O2 P2 -","- C68 H80 O4 P4 -","2","0.5","","Long, Richard J.; Jones, David J.; Gibson, Vernon C.; White, Andrew J. P.","Zirconium Complexes Containing Tetradentate O,P,P,O Ligands: Ethylene and Propylene Polymerization Studies","Organometallics","2008","27","22","5960","","10.1021/om800652w","","","1.54248","CuKα","","0.0586","0.0386","","","0.096","0.1058","","","","","","0.992","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072191","8.3957","0.0002","17.8816","0.0003","23.1612","0.0004","90","","99","0.002","90","","3434.35","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H38 Cl2 O2 P2 Zr -","- C34 H38 Cl2 O2 P2 Zr -","- C136 H152 Cl8 O8 P8 Zr4 -","4","1","","Long, Richard J.; Jones, David J.; Gibson, Vernon C.; White, Andrew J. P.","Zirconium Complexes Containing Tetradentate O,P,P,O Ligands: Ethylene and Propylene Polymerization Studies","Organometallics","2008","27","22","5960","","10.1021/om800652w","","","1.54248","CuKα","","0.1149","0.0848","","","0.2585","0.2832","","","","","","1.154","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072192","25.638","0.003","13.5433","0.0015","23.532","0.003","90","","115.018","0.011","90","","7404.2","1.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C70 H80 Cl8 O4 P4 Zr2 -","- C70 H80 Cl8 O4 P4 Zr2 -","- C280 H320 Cl32 O16 P16 Zr8 -","4","0.5","","Long, Richard J.; Jones, David J.; Gibson, Vernon C.; White, Andrew J. P.","Zirconium Complexes Containing Tetradentate O,P,P,O Ligands: Ethylene and Propylene Polymerization Studies","Organometallics","2008","27","22","5960","","10.1021/om800652w","","","0.71073","MoKα","","0.0458","0.0342","","","0.0852","0.0886","","","","","","1.069","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072193","17.865","0.0005","24.3175","0.0007","27.4188","0.0007","90","","90","","90","","11911.6","0.6","123","2","123","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C56 H84 Li2 N4 O4 Zn -","- C56 H84 Li2 N4 O4 Zn -","- C448 H672 Li16 N32 O32 Zn8 -","8","0.25","","Armstrong, David R.; Drummond, Allison M.; Balloch, Liam; Graham, David V.; Hevia, Eva; Kennedy, Alan R.","Metalation of 2,4,6-Trimethylacetophenone Using Organozinc Reagents: The Role of the Base in Determining Composition and Structure of the Developing Enolate","Organometallics","2008","27","22","5860","","10.1021/om800658s","","","0.71073","MoKα","","0.0507","0.0342","","","0.074","0.0804","","","","","","1.061","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072194","20.948","0.005","20.964","0.005","27.849","0.008","90","","90","","90","","12230","5","173","2","173","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C62 H90 Li2 N2 O4 Zn -","- C62 H90 Li2 N2 O4 Zn -","- C496 H720 Li16 N16 O32 Zn8 -","8","0.25","","Armstrong, David R.; Drummond, Allison M.; Balloch, Liam; Graham, David V.; Hevia, Eva; Kennedy, Alan R.","Metalation of 2,4,6-Trimethylacetophenone Using Organozinc Reagents: The Role of the Base in Determining Composition and Structure of the Developing Enolate","Organometallics","2008","27","22","5860","","10.1021/om800658s","","","0.71073","MoKα","","0.0627","0.0454","","","0.1135","0.1186","","","","","","0.982","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072195","16.4657","0.0008","12.1496","0.0006","8.7833","0.0005","90","","90","","90","","1757.11","0.16","150","2","150","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C34 H58 Li2 N4 O2 -","- C34 H58 Li2 N4 O2 -","- C68 H116 Li4 N8 O4 -","2","0.5","","Armstrong, David R.; Drummond, Allison M.; Balloch, Liam; Graham, David V.; Hevia, Eva; Kennedy, Alan R.","Metalation of 2,4,6-Trimethylacetophenone Using Organozinc Reagents: The Role of the Base in Determining Composition and Structure of the Developing Enolate","Organometallics","2008","27","22","5860","","10.1021/om800658s","","","0.71073","MoKα","","0.0739","0.0395","","","0.0768","0.084","","","","","","0.865","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4072196","9.4749","0.0003","12.6708","0.0003","11.6753","0.0003","90","","98.468","0.001","90","","1386.39","0.07","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H42 N2 O2 Zn -","- C28 H42 N2 O2 Zn -","- C56 H84 N4 O4 Zn2 -","2","1","","Armstrong, David R.; Drummond, Allison M.; Balloch, Liam; Graham, David V.; Hevia, Eva; Kennedy, Alan R.","Metalation of 2,4,6-Trimethylacetophenone Using Organozinc Reagents: The Role of the Base in Determining Composition and Structure of the Developing Enolate","Organometallics","2008","27","22","5860","","10.1021/om800658s","","","0.71073","MoKα","","0.0335","0.0283","","","0.0625","0.065","","","","","","1.026","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072197","12.0645","0.0008","14.3557","0.0009","15.3451","0.001","99.231","0.001","96.813","0.001","102.039","0.001","2533.5","0.3","184","2","184","2","","","","","","","","8","P -1","-P 1","2","EtNPNSc(CH2SiMe3)2THF","","","- C48.5 H66 Lu N2 O P S Si2 -","- C48.5 H62 Lu N2 O P S Si2 -","- C97 H124 Lu2 N4 O2 P2 S2 Si4 -","2","1","","Wang, Dun; Li, Shihui; Liu, Xinli; Gao, Wei; Cui, Dongmei","Thiophene-NPN Ligand Supported Rare-Earth Metal Bis(alkyl) Complexes. Synthesis and Catalysis toward Highlytrans-1,4 Selective Polymerization of Butadiene","Organometallics","2008","27","24","6531","","10.1021/om800660j","","","0.71073","MoKα","","0.0564","0.047","","","0.1179","0.1228","","","","","","1.014","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4072198","12.2694","0.0009","26.4988","0.0019","14.3383","0.001","90","","93.135","0.001","90","","4654.8","0.6","185","2","185","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","EtNPNSMeSc","","","- C46 H64 N2 O P S Sc Si2 -","- C46 H64 N2 O P S Sc Si2 -","- C184 H256 N8 O4 P4 S4 Sc4 Si8 -","4","1","","Wang, Dun; Li, Shihui; Liu, Xinli; Gao, Wei; Cui, Dongmei","Thiophene-NPN Ligand Supported Rare-Earth Metal Bis(alkyl) Complexes. Synthesis and Catalysis toward Highlytrans-1,4 Selective Polymerization of Butadiene","Organometallics","2008","27","24","6531","","10.1021/om800660j","","","0.71073","MoKα","","0.1159","0.056","","","0.0928","0.1102","","","","","","0.877","","","","has coordinates,has disorder","178610","2020-10-21","18:00:00",""
"4072199","41.905","0.003","11.7333","0.0008","20.3477","0.0014","90","","115.156","0.001","90","","9055.7","1.1","185","2","185","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","iPrNPNSMeSc(CH2SiMe3)2","","","- C44 H60 N2 P S Sc Si2 -","- C44 H60 N2 P S Sc Si2 -","- C352 H480 N16 P8 S8 Sc8 Si16 -","8","1","","Wang, Dun; Li, Shihui; Liu, Xinli; Gao, Wei; Cui, Dongmei","Thiophene-NPN Ligand Supported Rare-Earth Metal Bis(alkyl) Complexes. Synthesis and Catalysis toward Highlytrans-1,4 Selective Polymerization of Butadiene","Organometallics","2008","27","24","6531","","10.1021/om800660j","","","0.71073","MoKα","","0.1321","0.0631","","","0.1178","0.1453","","","","","","0.963","","","","has coordinates","178610","2020-10-21","18:00:00",""
"4072200","13.1455","0.0007","25.6245","0.0014","14.6598","0.0008","90","","91.278","0.001","90","","4936.9","0.5","185","2","185","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","EtNPNSc(CH2SiMe3)2(THF)","","","- C50.5 H68 N2 O P Sc Si2 -","- C49.5 H64 N2 O P Sc Si2 -","- C198 H256 N8 O4 P4 Sc4 Si8 -","4","1","","Wang, Dun; Li, Shihui; Liu, Xinli; Gao, Wei; Cui, Dongmei","Thiophene-NPN Ligand Supported Rare-Earth Metal Bis(alkyl) Complexes. Synthesis and Catalysis toward Highlytrans-1,4 Selective Polymerization of Butadiene","Organometallics","2008","27","24","6531","","10.1021/om800660j","","","0.71073","MoKα","","0.1007","0.0651","","","0.1748","0.1997","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072201","17.2434","0.0006","10.037","0.0003","17.8692","0.0005","90","","116.194","0.002","90","","2775.06","0.16","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 12, C2H4(Flu)(5,6-C3H6-2-2MeInd)Hf(Cl)CH2SiMe3","(chloro)(9-[2-(2-methyl-5,6,7-trihydroindacen-1-yl)ethyl]-fluorenyl) (trimethylsilylmethyl)hafnium","","- C32 H35 Cl Hf Si -","- C32 H35 Cl Hf Si -","- C128 H140 Cl4 Hf4 Si4 -","4","1","","Bryliakov, Konstantin P.; Talsi, Evgenii P.; Voskoboynikov, Alexander Z.; Lancaster, Simon J.; Bochmann, Manfred","Formation and Structures of Hafnocene Complexes in MAO- and AlBui3/CPh3[B(C6F5)4]-Activated Systems","Organometallics","2008","27","23","6333","","10.1021/om800664p","","","0.71073","MoKα","","0.0837","0.0542","","","0.0951","0.1036","","","","","","1.137","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072202","13.392","0.002","18.203","0.003","19.051","0.003","90","","95.945","0.003","90","","4619.2","1.3","173.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H47 Br O6 P2 Pd S2 -","- C48 H47 Br O6 P2 Pd S2 -","- C192 H188 Br4 O24 P8 Pd4 S8 -","4","1","","Kimura, Tsutomu; Uozumi, Yasuhiro","Synthesis of [2,6-Bis(2-oxazolinyl)phenyl]palladium Complexes via the Ligand Introduction Route","Organometallics","2008","27","19","5159","","10.1021/om800666x","","","0.7107","MoKα","","","0.036","","","","0.044","","","","","","1.077","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072203","6.4305","0.0011","11.728","0.0013","12.283","0.001","90","","103.426","0.005","90","","901","0.2","173.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H23 Cl N2 O2 Pd -","- C18 H23 Cl N2 O2 Pd -","- C36 H46 Cl2 N4 O4 Pd2 -","2","1","","Kimura, Tsutomu; Uozumi, Yasuhiro","Synthesis of [2,6-Bis(2-oxazolinyl)phenyl]palladium Complexes via the Ligand Introduction Route","Organometallics","2008","27","19","5159","","10.1021/om800666x","","","0.7107","MoKα","","","0.02","","","","0.026","","","","","","0.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072204","12.4126","0.0011","20.842","0.002","13.268","0.002","90","","117.754","0.004","90","","3037.6","0.6","173.1","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H27 Cl N2 O2 Pd -","- C20 H27 Cl N2 O2 Pd -","- C120 H162 Cl6 N12 O12 Pd6 -","6","3","","Kimura, Tsutomu; Uozumi, Yasuhiro","Synthesis of [2,6-Bis(2-oxazolinyl)phenyl]palladium Complexes via the Ligand Introduction Route","Organometallics","2008","27","19","5159","","10.1021/om800666x","","","0.7107","MoKα","","","0.036","","","","0.045","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072205","16.019","0.007","9.903","0.005","21.732","0.01","90","","105.974","0.005","90","","3314","3","173.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl N2 O2 Pd -","- C16 H19 Cl N2 O2 Pd -","- C128 H152 Cl8 N16 O16 Pd8 -","8","2","","Kimura, Tsutomu; Uozumi, Yasuhiro","Synthesis of [2,6-Bis(2-oxazolinyl)phenyl]palladium Complexes via the Ligand Introduction Route","Organometallics","2008","27","19","5159","","10.1021/om800666x","","","0.7107","MoKα","","","0.036","","","","0.053","","","","","","1.102","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072206","13.6779","0.0006","14.7453","0.0006","32.7016","0.0012","90","","90","","90","","6595.4","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H42 Cl2 N3 Pd -","- C36 H42 Cl2 N3 Pd -","- C288 H336 Cl16 N24 Pd8 -","8","1","","Broggi, Julie; Clavier, Hervé; Nolan, Steven P.","N-Heterocyclic Carbenes (NHCs) ContainingN-C-Palladacycle Complexes: Synthesis and Reactivity in Aryl Amination Reactions","Organometallics","2008","27","21","5525","","10.1021/om8006689","","","0.71073","MoKα","","0.0466","0.0326","","","0.0768","0.0836","","","","","","1.025","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072207","10.3012","0.0005","20.3145","0.001","19.4043","0.0008","90","","98.103","0.002","90","","4020.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H54 Cl3 N3 Pd -","- C42 H54 Cl3 N3 Pd -","- C168 H216 Cl12 N12 Pd4 -","4","1","","Broggi, Julie; Clavier, Hervé; Nolan, Steven P.","N-Heterocyclic Carbenes (NHCs) ContainingN-C-Palladacycle Complexes: Synthesis and Reactivity in Aryl Amination Reactions","Organometallics","2008","27","21","5525","","10.1021/om8006689","","","0.71073","MoKα","","0.0439","0.0326","","","0.0833","0.0896","","","","","","1.022","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072208","15.9022","0.0016","12.5955","0.0013","23.306","0.003","90","","102.427","0.002","90","","4558.7","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C54 H56 B P Pd S -","- C54 H56 B P Pd S -","- C216 H224 B4 P4 Pd4 S4 -","4","1","","Emslie, David J. H.; Harrington, Laura E.; Jenkins, Hilary A.; Robertson, Craig M.; Britten, James F.","Group 10 Transition-Metal Complexes of an Ambiphilic PSB-Ligand: Investigations into η3(BCC)-Triarylborane Coordination","Organometallics","2008","27","20","5317","","10.1021/om800670e","","","0.71073","MoKα","","0.1242","0.0567","","","0.1249","0.1515","","","","","","1.042","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072209","31.3273","0.0012","14.7189","0.0006","21.3425","0.0008","90","","91.473","0.002","90","","9837.8","0.7","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C100 H110 B2 Cl2 P2 Pd2 S2 -","- C100 H110 B2 Cl2 P2 Pd2 S2 -","- C400 H440 B8 Cl8 P8 Pd8 S8 -","4","0.5","","Emslie, David J. H.; Harrington, Laura E.; Jenkins, Hilary A.; Robertson, Craig M.; Britten, James F.","Group 10 Transition-Metal Complexes of an Ambiphilic PSB-Ligand: Investigations into η3(BCC)-Triarylborane Coordination","Organometallics","2008","27","20","5317","","10.1021/om800670e","","","0.71073","MoKα","","0.1662","0.0754","","","0.1582","0.1827","","","","","","0.925","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072210","11.3711","0.0018","13.09","0.002","16.842","0.004","106.206","0.005","97.013","0.005","106.216","0.004","2256.5","0.7","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H76 B Ni P S -","- C47 H48 B Ni P S -","- C94 H96 B2 Ni2 P2 S2 -","2","1","","Emslie, David J. H.; Harrington, Laura E.; Jenkins, Hilary A.; Robertson, Craig M.; Britten, James F.","Group 10 Transition-Metal Complexes of an Ambiphilic PSB-Ligand: Investigations into η3(BCC)-Triarylborane Coordination","Organometallics","2008","27","20","5317","","10.1021/om800670e","","","0.71073","MoKα","","0.1264","0.0567","","","0.1053","0.1224","","","","","","0.861","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072211","17.16","0.007","9.849","0.004","36.227","0.016","90","","96.351","0.007","90","","6085","4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C67 H94 B O P Pd S Si2 -","- C61 H80 B O P Pd S Si2 -","- C244 H320 B4 O4 P4 Pd4 S4 Si8 -","4","1","","Emslie, David J. H.; Harrington, Laura E.; Jenkins, Hilary A.; Robertson, Craig M.; Britten, James F.","Group 10 Transition-Metal Complexes of an Ambiphilic PSB-Ligand: Investigations into η3(BCC)-Triarylborane Coordination","Organometallics","2008","27","20","5317","","10.1021/om800670e","","","0.71073","MoKα","","0.166","0.1053","","","0.2411","0.2723","","","","","","1.052","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072212","9.8451","0.0004","15.2773","0.0008","17.2635","0.0009","84.936","0.001","84.033","0.001","89.179","0.001","2572.4","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48.74 H51.48 Cl3.48 I2 P2 Pt S -","- C48.74 H51.48 Cl3.48 I2 P2 Pt S -","- C97.48 H102.96 Cl6.96 I4 P4 Pt2 S2 -","2","1","","Emslie, David J. H.; Harrington, Laura E.; Jenkins, Hilary A.; Robertson, Craig M.; Britten, James F.","Group 10 Transition-Metal Complexes of an Ambiphilic PSB-Ligand: Investigations into η3(BCC)-Triarylborane Coordination","Organometallics","2008","27","20","5317","","10.1021/om800670e","","","0.71073","MoKα","","0.1064","0.0582","","","0.145","0.171","","","","","","1.022","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072213","24.31","0.0007","17.7651","0.0006","27.445","0.0008","90","","105.813","0.003","90","","11404.1","0.6","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C122 H92 Cl16 O4 Rh4 -","- C122 H92 Cl16 O4 Rh4 -","- C488 H368 Cl64 O16 Rh16 -","4","0.5","","Rechavi, Dalit; Scopelliti, Rosario; Severin, Kay","The Enigmatic Nature of RhICl(cyclopentadienone) Complexes: Dimers, Trimers, and Tetramers","Organometallics","2008","27","22","5978","","10.1021/om800671x","","","0.71073","MoKα","","0.0913","0.0506","","","0.1026","0.1178","","","","","","1.028","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072214","12.1598","0.0009","13.6567","0.0012","20.194","0.002","90.772","0.008","97.825","0.008","111.784","0.008","3077.5","0.5","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H62 Cl5 O3 Rh3 -","- C64 H62 Cl5 O3 Rh3 -","- C128 H124 Cl10 O6 Rh6 -","2","1","","Rechavi, Dalit; Scopelliti, Rosario; Severin, Kay","The Enigmatic Nature of RhICl(cyclopentadienone) Complexes: Dimers, Trimers, and Tetramers","Organometallics","2008","27","22","5978","","10.1021/om800671x","","","0.71073","MoKα","","0.1569","0.0696","","","0.146","0.1667","","","","","","0.842","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072215","11.6158","0.0006","24.7527","0.0013","24.7806","0.0012","90","","91.395","0.005","90","","7122.9","0.6","140","2","140","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C89 H58 Cl7 O3 Rh3 -","- C89 H58 Cl7 O3 Rh3 -","- C356 H232 Cl28 O12 Rh12 -","4","1","","Rechavi, Dalit; Scopelliti, Rosario; Severin, Kay","The Enigmatic Nature of RhICl(cyclopentadienone) Complexes: Dimers, Trimers, and Tetramers","Organometallics","2008","27","22","5978","","10.1021/om800671x","","","0.71073","MoKα","","0.1664","0.0571","","","0.0842","0.1035","","","","","","0.818","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072216","18.823","0.002","9.3966","0.0017","23.578","0.005","90","","95.544","0.014","90","","4150.8","1.2","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H46 Cl2 N2 O2 Rh2 -","- C46 H46 Cl2 N2 O2 Rh2 -","- C184 H184 Cl8 N8 O8 Rh8 -","4","1","","Rechavi, Dalit; Scopelliti, Rosario; Severin, Kay","The Enigmatic Nature of RhICl(cyclopentadienone) Complexes: Dimers, Trimers, and Tetramers","Organometallics","2008","27","22","5978","","10.1021/om800671x","","","0.71073","MoKα","","0.1044","0.0504","","","0.1111","0.1365","","","","","","0.917","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072217","11.7647","0.0003","18.6753","0.0007","20.0806","0.0006","69.319","0.003","89.865","0.002","81.665","0.003","4078.3","0.2","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C99 H72 Cl3 N6 O3 Rh3 -","- C99 H72 Cl3 N6 O3 Rh3 -","- C198 H144 Cl6 N12 O6 Rh6 -","2","1","","Rechavi, Dalit; Scopelliti, Rosario; Severin, Kay","The Enigmatic Nature of RhICl(cyclopentadienone) Complexes: Dimers, Trimers, and Tetramers","Organometallics","2008","27","22","5978","","10.1021/om800671x","","","0.71073","MoKα","","0.0693","0.0354","","","0.0565","0.0605","","","","","","0.854","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072218","12.2777","0.0014","16.159","0.003","20.531","0.003","90","","90","","90","","4073.3","1.1","193","2","193","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H18 Cl2 N2 O4 S Si -","- C18 H18 Cl2 N2 O4 S Si -","- C144 H144 Cl16 N16 O32 S8 Si8 -","8","1","","Metz, Stefan; Burschka, Christian; Tacke, Reinhold","A Neutral Pentacoordinate Silicon(IV) Complex with a Monodentate Nitrato Ligand: Synthesis and Structural Characterization","Organometallics","2008","27","22","6032","","10.1021/om800676a","","","0.71073","MoKα","","0.0469","0.0381","","","0.0987","0.103","","","","","","1.046","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072219","13.0986","0.0007","17.2349","0.0007","20.24","0.001","101.036","0.002","102.763","0.002","94.732","0.002","4336.6","0.4","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","","","- C78 H95 B2 Br Cl4 F24 N2 P2 Pt -","- C78 H95 B2 Br Cl4 F24 N2 P2 Pt -","- C156 H190 B4 Br2 Cl8 F48 N4 P4 Pt2 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Uttinger, Katharina","Syntheses and Structures of Mono- and Dinuclear Cationic Base-Stabilized Platinum Borylene Complexes","Organometallics","2008","27","22","6005","","10.1021/om800689h","","","0.71073","MoKα","","0.0444","0.0392","","","0.1045","0.1079","","","","","","1.037","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4072220","13.4787","0.001","19.3931","0.0014","19.6039","0.0014","102.695","0.004","104.641","0.004","97.209","0.004","4746.9","0.6","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C91 H123 B2 Br F24 N2 P2 Pt -","- C91 H123 B2 Br F24 N2 P2 Pt -","- C182 H246 B4 Br2 F48 N4 P4 Pt2 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Uttinger, Katharina","Syntheses and Structures of Mono- and Dinuclear Cationic Base-Stabilized Platinum Borylene Complexes","Organometallics","2008","27","22","6005","","10.1021/om800689h","","","0.71073","MoKα","","0.0744","0.049","","","0.1056","0.1187","","","","","","1.06","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072221","15.5886","0.0004","14.4814","0.0003","38.158","0.001","90","","92.916","0.001","90","","8602.8","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C82 H101 B2 Br F24 N2 P2 Pt -","- C82 H101 B2 Br F23.997 N2 P2 Pt -","- C328 H404 B8 Br4 F95.988 N8 P8 Pt4 -","4","1","","Braunschweig, Holger; Radacki, Krzysztof; Uttinger, Katharina","Syntheses and Structures of Mono- and Dinuclear Cationic Base-Stabilized Platinum Borylene Complexes","Organometallics","2008","27","22","6005","","10.1021/om800689h","","","0.71073","MoKα","","0.0511","0.0469","","","0.1156","0.1197","","","","","","0.843","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072222","12.7827","0.0004","24.4857","0.0007","16.2173","0.0005","90","","90.412","0.002","90","","5075.8","0.3","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C42 H74 B Br2 Cl6 P2 Pt -","- C42 H74 B Br2 Cl6 P2 Pt -","- C168 H296 B4 Br8 Cl24 P8 Pt4 -","4","1","","Braunschweig, Holger; Radacki, Krzysztof; Uttinger, Katharina","Syntheses and Structures of Mono- and Dinuclear Cationic Base-Stabilized Platinum Borylene Complexes","Organometallics","2008","27","22","6005","","10.1021/om800689h","","","0.71073","MoKα","","0.0493","0.0314","","","0.0638","0.0711","","","","","","1.11","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072223","14.9389","0.0005","24.4311","0.0009","21.7945","0.0006","90","","90.988","0.001","90","","7953.2","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H125 B2 Br4 P3 Pt -","- C78 H125 B2 Br4 P3 Pt -","- C312 H500 B8 Br16 P12 Pt4 -","4","1","","Braunschweig, Holger; Radacki, Krzysztof; Uttinger, Katharina","Syntheses and Structures of Mono- and Dinuclear Cationic Base-Stabilized Platinum Borylene Complexes","Organometallics","2008","27","22","6005","","10.1021/om800689h","","","0.71073","MoKα","","0.0814","0.043","","","0.0955","0.1168","","","","","","1.131","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4072224","14.1057","0.0003","14.7139","0.0003","18.4361","0.0005","66.952","0.001","68.653","0.001","78.726","0.001","3273.14","0.13","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H70 B2 Br Cl2 F20 P2 Pt -","- C64 H70 B2 Br Cl2 F20 P2 Pt -","- C128 H140 B4 Br2 Cl4 F40 P4 Pt2 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Uttinger, Katharina","Syntheses and Structures of Mono- and Dinuclear Cationic Base-Stabilized Platinum Borylene Complexes","Organometallics","2008","27","22","6005","","10.1021/om800689h","","","0.71073","MoKα","","0.0242","0.0217","","","0.0529","0.0547","","","","","","1.022","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072225","10.0271","0.0003","13.3244","0.0004","20.5151","0.0005","90","","95.788","0.003","90","","2726.95","0.13","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H39 Ti -","- C34 H39 Ti -","- C136 H156 Ti4 -","4","1","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.0925","0.0444","","","0.076","0.0897","","","","","","0.964","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072226","34.8395","0.0014","8.5922","0.0003","20.4083","0.0008","90","","125.774","0.0015","90","","4956.5","0.3","150","2","150","2","","","","","","","synthesized by the authors","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H41 Si Ti -","- C26 H41 Si Ti -","- C208 H328 Si8 Ti8 -","8","1","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.0535","0.0496","","","0.1354","0.1388","","","","","","1.047","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072227","8.6571","0.0002","11.5401","0.0003","14.2383","0.0003","99.8037","0.001","90.9041","0.0013","103.774","0.0012","1359.02","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H43 Si Ti -","- C31 H43 Si Ti -","- C62 H86 Si2 Ti2 -","2","1","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.0436","0.0353","","","0.0882","0.0931","","","","","","1.021","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072228","8.8959","0.0004","12.1869","0.0006","15.2672","0.0008","92.443","0.002","105.854","0.003","111.242","0.003","1465.41","0.13","298","2","293","2","","","","","","","synthesized by the authors","3","P -1","-P 1","2","","","","- C32 H47 Ti -","- C32 H47 Ti -","- C64 H94 Ti2 -","2","1","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.0863","0.0758","","","0.2496","0.2575","","","","","","1.134","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072229","13.781","0.0002","12.388","0.0002","18.374","0.0004","90","","105.566","0.001","90","","3021.74","0.09","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H47 Si2 Ti -","- C30 H47 Si2 Ti -","- C120 H188 Si8 Ti4 -","4","1","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.0548","0.0386","","","0.0932","0.1018","","","","","","1.055","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072230","14.953","0.0007","17.0466","0.0004","21.464","0.0009","90","","90","","90","","5471.1","0.4","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H45 Ti -","- C30 H45 Ti -","- C240 H360 Ti8 -","8","1","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.154","0.0674","","","0.1521","0.1883","","","","","","1.022","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072231","9.0306","0.0002","11.9583","0.0003","14.7172","0.0002","89.3701","0.0013","82.0966","0.0013","71.3318","0.001","1490.48","0.05","150","2","150","2","","","","","","","synthesized by the authors","4","P -1","-P 1","2","","","","- C30 H49 Si2 Ti -","- C30 H49 Si2 Ti -","- C60 H98 Si4 Ti2 -","2","1","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.0407","0.0331","","","0.0826","0.0874","","","","","","1.025","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072232","19.3155","0.0002","12.015","0.0003","28.9179","0.0005","90","","90","","90","","6711.1","0.2","150","2","150","2","","","","","","","synthesized by the authors","4","P c a 21","P 2c -2ac","29","","","","- C32 H53 Si3 Ti -","- C32 H53 Si3 Ti -","- C256 H424 Si24 Ti8 -","8","2","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.0348","0.0307","","","0.0752","0.0785","","","","","","1.037","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072233","29.3847","0.0002","11.9628","0.0001","18.7935","0.0003","90","","108.441","0.0005","90","","6267.11","0.12","150","2","150","2","","","","","","","synthesized by the authors","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H53 Si Ti -","- C34 H53 Si Ti -","- C272 H424 Si8 Ti8 -","8","2","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.0639","0.0486","","","0.1169","0.1247","","","","","","1.063","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072234","10.4972","0.0001","11.3834","0.0002","20.923","0.0003","90","","90","","90","","2500.17","0.06","150","2","150","2","","","","","","","synthesized by the authors","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 Cl Si Ti -","- C26 H41 Cl Si Ti -","- C104 H164 Cl4 Si4 Ti4 -","4","1","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.03","0.0278","","","0.071","0.0725","","","","","","1.051","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072235","22.1646","0.0008","18.0672","0.0007","15.7913","0.0003","90","","97.899","0.002","90","","6263.7","0.4","150","2","150","2","","","","","","","synthesized by the authors","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H47 Cl Si2 Ti -","- C30 H47 Cl Si2 Ti -","- C240 H376 Cl8 Si16 Ti8 -","8","1","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.0513","0.0388","","","0.0952","0.1064","","","","","","1.062","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072236","8.6384","0.0003","11.4893","0.0002","15.6002","0.0004","78.9559","0.0016","77.8493","0.0014","86.9128","0.0016","1485.44","0.07","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C30 H49 Cl Si2 Ti -","- C30 H49 Cl Si2 Ti -","- C60 H98 Cl2 Si4 Ti2 -","2","1","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.0613","0.041","","","0.0937","0.104","","","","","","1.022","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072237","31.7739","0.0005","20.4057","0.0003","11.187","0.0001","90","","109.552","0.0009","90","","6835.04","0.16","150","2","150","2","","","","","","","synthesized by the authors","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H53 Cl Si Ti -","- C34 H53 Cl Si Ti -","- C272 H424 Cl8 Si8 Ti8 -","8","1","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.0402","0.032","","","0.0858","0.0903","","","","","","1.051","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072238","15.3776","0.0004","15.3776","0.0004","8.3838","0.0002","90","","90","","90","","1982.52","0.09","150","2","150","2","","","","","","","synthesized by the authors","4","P -4","P -4","81","","","","- C22 H33 Cl Ti -","- C22 H33 Cl Ti -","- C88 H132 Cl4 Ti4 -","4","1","","Pinkas, J.; Císařová, I.; Gyepes, R.; Horáček, M.; Kubišta, J.; Čejka, J.; Gómez-Ruiz, S.; Hey-Hawkins, E.; Mach, K.","Insertion of Internal Alkynes and Ethene into Permethylated Singly Tucked-in Titanocene","Organometallics","2008","27","21","5532","","10.1021/om800691f","","","0.71073","MoKα","","0.0518","0.051","","","0.151","0.1517","","","","","","1.12","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072239","8.9484","0.0006","10.9534","0.0008","24.7479","0.0018","90","","98.5","0.001","90","","2399","0.3","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Cl2 N O4 Ta -","- C24 H26 Cl2 N O4 Ta -","- C96 H104 Cl8 N4 O16 Ta4 -","4","1","","Conde, Ana; Fandos, Rosa; Otero, Antonio; Rodríguez, Ana","Oxo and Hydroxo Organometallic Complexes of Tantalum: Soluble Molecular Models of Tantalum Oxide","Organometallics","2008","27","23","6090","","10.1021/om8006932","","","0.71073","MoKα","","0.0432","0.0392","","","0.0961","0.0984","","","","","","1.042","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072240","8.9762","0.0011","14.6889","0.0017","20.673","0.002","90","","91.598","0.002","90","","2724.7","0.5","180","2","180","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 Cl F3 N O7 S Ta -","- C25 H26 Cl F3 N O7 S Ta -","- C100 H104 Cl4 F12 N4 O28 S4 Ta4 -","4","1","","Conde, Ana; Fandos, Rosa; Otero, Antonio; Rodríguez, Ana","Oxo and Hydroxo Organometallic Complexes of Tantalum: Soluble Molecular Models of Tantalum Oxide","Organometallics","2008","27","23","6090","","10.1021/om8006932","","","0.71073","MoKα","","0.0648","0.0423","","","0.088","0.0956","","","","","","1.084","","","","has coordinates,has disorder","198632","2020-10-21","18:00:00",""
"4072241","11.089","0.0011","12.084","0.0012","17.119","0.0017","102.968","0.002","99.251","0.002","92.625","0.002","2198.3","0.4","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H42 Cl6 N2 O10 Ta2 -","- C37 H42 Cl6 N2 O10 Ta2 -","- C74 H84 Cl12 N4 O20 Ta4 -","2","1","","Conde, Ana; Fandos, Rosa; Otero, Antonio; Rodríguez, Ana","Oxo and Hydroxo Organometallic Complexes of Tantalum: Soluble Molecular Models of Tantalum Oxide","Organometallics","2008","27","23","6090","","10.1021/om8006932","","","0.71073","MoKα","","0.0641","0.0421","","","0.0893","0.0982","","","","","","1.047","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072242","16.414","0.003","13.115","0.002","22.553","0.004","90","","106.737","0.003","90","","4649.3","1.4","180","2","180","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H55 F3 N2 O16 S Ta2 -","- C43 H55 F3 N2 O16 S Ta2 -","- C172 H220 F12 N8 O64 S4 Ta8 -","4","1","","Conde, Ana; Fandos, Rosa; Otero, Antonio; Rodríguez, Ana","Oxo and Hydroxo Organometallic Complexes of Tantalum: Soluble Molecular Models of Tantalum Oxide","Organometallics","2008","27","23","6090","","10.1021/om8006932","","","0.71073","MoKα","","0.1177","0.0591","","","0.1107","0.1352","","","","","","0.971","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072243","12.514","0.004","11.847","0.004","17.498","0.006","90","","108.541","0.004","90","","2459.5","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H56 Cl8 Ir2 N4 O8 -","- C36 H56 Cl8 Ir2 N4 O8 -","- C72 H112 Cl16 Ir4 N8 O16 -","2","0.5","","Jia, Wei-Guo; Han, Ying-Feng; Jin, Guo-Xin","Synthesis and Characterization of Binuclear Half-Sandwich Iridium and Rhodium Carbene Complexes Containing 1,2-Dichalcogenolato Carborane or Carbonato Ligands","Organometallics","2008","27","22","6035","","10.1021/om800694h","","","0.71073","MoKα","","0.0573","0.0353","","","0.0711","0.0781","","","","","","0.992","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072244","11.215","0.004","11.238","0.004","14.053","0.005","72.147","0.005","80.786","0.005","60.952","0.005","1473.7","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H32 B10 Ir N2 Se2 -","- C17 H32 B10 Ir N2 Se2 -","- C34 H64 B20 Ir2 N4 Se4 -","2","1","","Jia, Wei-Guo; Han, Ying-Feng; Jin, Guo-Xin","Synthesis and Characterization of Binuclear Half-Sandwich Iridium and Rhodium Carbene Complexes Containing 1,2-Dichalcogenolato Carborane or Carbonato Ligands","Organometallics","2008","27","22","6035","","10.1021/om800694h","","","0.71073","MoKα","","0.0742","0.0463","","","0.0866","0.0925","","","","","","0.898","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072245","11.104","0.008","11.219","0.008","14.042","0.01","71.071","0.009","78.586","0.009","62.268","0.008","1462.3","1.8","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H68 B20 Cl4 N4 Rh2 S4 -","- C36 H68 B20 Cl4 N4 Rh2 S4 -","- C36 H68 B20 Cl4 N4 Rh2 S4 -","1","0.5","","Jia, Wei-Guo; Han, Ying-Feng; Jin, Guo-Xin","Synthesis and Characterization of Binuclear Half-Sandwich Iridium and Rhodium Carbene Complexes Containing 1,2-Dichalcogenolato Carborane or Carbonato Ligands","Organometallics","2008","27","22","6035","","10.1021/om800694h","","","0.71073","MoKα","","0.0705","0.0589","","","0.1561","0.1649","","","","","","1.064","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072246","9.0095","0.0006","16.9233","0.0012","16.3307","0.0012","90","","100.047","0.002","90","","2451.8","0.3","298","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N8 O Ru -","- C27 H22 N8 O Ru -","- C108 H88 N32 O4 Ru4 -","4","1","","Singh, Amardeep; Pramanik, Avijit; Das, Gopal; Mondal, Biplab","Reduction of Coordinated Acetonitrile to Ethylamine in a Ruthenium Complex byp-Phenylenediamine or Hydroquinone","Organometallics","2008","27","24","6403","","10.1021/om800697n","","","0.71073","MoKα","","0.0773","0.0599","","","0.2129","0.2268","","","","","","0.992","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072247","24.113","0.003","10.6297","0.0011","23.011","0.002","90","","121.6","","90","","5023.5","0.9","298","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H23 N8 Ru -","- C27 H23 N8 Ru -","- C216 H184 N64 Ru8 -","8","1","","Singh, Amardeep; Pramanik, Avijit; Das, Gopal; Mondal, Biplab","Reduction of Coordinated Acetonitrile to Ethylamine in a Ruthenium Complex byp-Phenylenediamine or Hydroquinone","Organometallics","2008","27","24","6403","","10.1021/om800697n","","","0.71073","MoKα","","0.0711","0.0456","","","0.1121","0.127","","","","","","0.958","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072248","6.5504","0.0011","16.014","0.003","16.457","0.003","76.516","0.003","82.67","0.003","85.427","0.004","1662.8","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 Fe N4 -","- C24 H30 Fe N4 -","- C72 H90 Fe3 N12 -","3","1.5","","Tan, Weiqiang; Yu, Zhengkun; He, Wei; Wang, Liandi; Sun, Jie; Chen, Jinzhu","A Toluene Guest in a Poly(heteronuclear) Complex Host of Ferrocenyl−(CH2)2-Bridged Bis(pyrazole)","Organometallics","2008","27","19","4833","","10.1021/om800704a","","","0.71073","MoKα","","0.1215","0.0897","","","0.2111","0.2374","","","","","","0.897","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072249","36.66","0.004","9.5881","0.0011","8.6187","0.001","90","","92.467","0.002","90","","3026.7","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Fe N4 O -","- C36 H40 Fe N4 O -","- C144 H160 Fe4 N16 O4 -","4","0.5","","Tan, Weiqiang; Yu, Zhengkun; He, Wei; Wang, Liandi; Sun, Jie; Chen, Jinzhu","A Toluene Guest in a Poly(heteronuclear) Complex Host of Ferrocenyl−(CH2)2-Bridged Bis(pyrazole)","Organometallics","2008","27","19","4833","","10.1021/om800704a","","","0.71073","MoKα","","0.0671","0.0489","","","0.1153","0.1216","","","","","","0.934","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072250","12.7273","0.0007","18.5978","0.0009","17.265","0.0009","90","","90.644","0.001","90","","4086.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H79 Cl6 Fe2 N8 Ni4 -","- C87 H76 Cl6 Fe2 N8 Ni4 -","- C174 H152 Cl12 Fe4 N16 Ni8 -","2","0.5","","Tan, Weiqiang; Yu, Zhengkun; He, Wei; Wang, Liandi; Sun, Jie; Chen, Jinzhu","A Toluene Guest in a Poly(heteronuclear) Complex Host of Ferrocenyl−(CH2)2-Bridged Bis(pyrazole)","Organometallics","2008","27","19","4833","","10.1021/om800704a","","","0.71073","MoKα","","0.0883","0.0579","","","0.1406","0.1554","","","","","","0.846","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072251","10.9417","0.0008","11.8878","0.0009","14.2357","0.0011","79.239","0.001","83.872","0.001","89.668","0.002","1808.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C82 H92 Fe2 N8 Ni4 -","- C82 H83 Fe2 N8 Ni4 -","- C82 H83 Fe2 N8 Ni4 -","1","0.5","","Tan, Weiqiang; Yu, Zhengkun; He, Wei; Wang, Liandi; Sun, Jie; Chen, Jinzhu","A Toluene Guest in a Poly(heteronuclear) Complex Host of Ferrocenyl−(CH2)2-Bridged Bis(pyrazole)","Organometallics","2008","27","19","4833","","10.1021/om800704a","","","0.71073","MoKα","","0.0787","0.0455","","","0.0849","0.093","","","","","","0.834","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072252","10.5506","0.0009","11.7665","0.001","18.0307","0.0016","72.868","0.002","81.398","0.002","76.811","0.002","2074.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H54 Fe N4 Ni2 -","- C49.5 H46 Fe N4 Ni2 -","- C99 H92 Fe2 N8 Ni4 -","2","1","","Tan, Weiqiang; Yu, Zhengkun; He, Wei; Wang, Liandi; Sun, Jie; Chen, Jinzhu","A Toluene Guest in a Poly(heteronuclear) Complex Host of Ferrocenyl−(CH2)2-Bridged Bis(pyrazole)","Organometallics","2008","27","19","4833","","10.1021/om800704a","","","0.71073","MoKα","","0.0564","0.039","","","0.084","0.0878","","","","","","0.85","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072253","9.053","0.002","23.341","0.006","12.827","0.003","90","","90.305","0.005","90","","2710.4","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H51 N Os P2 -","- C24 H51 N Os P2 -","- C96 H204 N4 Os4 P8 -","4","1","","Esteruelas, Miguel A.; Forcén, Elena; Oliván, Montserrat; Oñate, Enrique","Aromatic C−H Bond Activation of 2-Methylpyridine Promoted by an Osmium(VI) Complex: Formation of an η2(N,C)-Pyridyl Derivative","Organometallics","2008","27","23","6188","","10.1021/om800706g","","","0.71073","MoKα","","0.0482","0.0316","","","0.0528","0.0553","","","","","","1.006","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072254","10.867","0.005","15.319","0.007","17.315","0.007","90","","105.762","0.008","90","","2774","2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H50 Cl N Os P2 -","- C24 H50 Cl N Os P2 -","- C96 H200 Cl4 N4 Os4 P8 -","4","1","","Esteruelas, Miguel A.; Forcén, Elena; Oliván, Montserrat; Oñate, Enrique","Aromatic C−H Bond Activation of 2-Methylpyridine Promoted by an Osmium(VI) Complex: Formation of an η2(N,C)-Pyridyl Derivative","Organometallics","2008","27","23","6188","","10.1021/om800706g","","","0.71073","MoKα","","0.0874","0.0507","","","0.0941","0.1045","","","","","","0.979","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072255","11.6237","0.0002","12.7345","0.0003","17.5683","0.0004","110.764","0.0008","100.462","0.0009","102.264","0.001","2280.25","0.09","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","6","P -1","-P 1","2","","[Ti(NtBu)(Me3[9]aneN3)(NCMe2)(MeCN)][BArF4]","","- C42 H39 B F20 N6 Ti -","- C42 H39 B F20 N6 Ti -","- C84 H78 B2 F40 N12 Ti2 -","2","1","","Bolton, Paul D.; Feliz, Marta; Cowley, Andrew R.; Clot, Eric; Mountford, Philip","TiNR vs Ti−R′ Functional Group Selectivity in Titanium Imido Alkyl Cations from an Experimental Perspective","Organometallics","2008","27","23","6096","","10.1021/om800709f","","","0.71073","MoKα","","0.0734","0.0513","","0.0808","0.066","0.066","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072256","12.3574","0.0002","14.2186","0.0002","14.5834","0.0002","86.511","0.0006","85.619","0.0006","74.544","0.0007","2460.3","0.06","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","7","P -1","-P 1","2","","[Ti(NtBu)(Me3[9]aneN3){N(H)CMeCHCMeN(H)}][BArF4] . CH2Cl2","","- C43 H41 B Cl2 F20 N6 Ti -","- C43 H41 B Cl2 F20 N6 Ti -","- C86 H82 B2 Cl4 F40 N12 Ti2 -","2","1","","Bolton, Paul D.; Feliz, Marta; Cowley, Andrew R.; Clot, Eric; Mountford, Philip","TiNR vs Ti−R′ Functional Group Selectivity in Titanium Imido Alkyl Cations from an Experimental Perspective","Organometallics","2008","27","23","6096","","10.1021/om800709f","","","0.71073","MoKα","","0.0728","0.0506","","0.084","0.0632","0.0632","","","","","","1.0722","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4072257","19.107","0.0002","13.2045","0.0002","20.4267","0.0003","90","","113.494","0.0007","90","","4726.4","0.11","150","","150","","","","","","","","?","6","P 1 21/n 1","-P 2yn","14","","[Ti(NtBu)(Me3[9]aneN3){MeC(NiPr)2}][BArF4]","","- C45 H47 B F20 N6 Ti -","- C45 H47 B F20 N6 Ti -","- C180 H188 B4 F80 N24 Ti4 -","4","1","","Bolton, Paul D.; Feliz, Marta; Cowley, Andrew R.; Clot, Eric; Mountford, Philip","TiNR vs Ti−R′ Functional Group Selectivity in Titanium Imido Alkyl Cations from an Experimental Perspective","Organometallics","2008","27","23","6096","","10.1021/om800709f","","","0.71073","MoKα","","0.0827","0.0414","","0.0748","0.0485","0.0485","","","","","","1.1065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072258","11.9619","0.0002","12.7619","0.0002","17.984","0.0002","75.5723","0.0005","80.1952","0.0005","86.9238","0.0005","2619.78","0.07","150","","150","","","","","","","","synthesis as described","7","P -1","-P 1","2","","[Ti(NtBu)(Me3[9]aneN3){Me3SiCH2C(NiPr)2}][BArF4]","","- C48 H55 B F20 N6 Si Ti -","- C48 H55 B F20 N6 Si Ti -","- C96 H110 B2 F40 N12 Si2 Ti2 -","2","1","","Bolton, Paul D.; Feliz, Marta; Cowley, Andrew R.; Clot, Eric; Mountford, Philip","TiNR vs Ti−R′ Functional Group Selectivity in Titanium Imido Alkyl Cations from an Experimental Perspective","Organometallics","2008","27","23","6096","","10.1021/om800709f","","","0.71073","MoKα","","0.0652","0.0402","","0.0703","0.0476","0.0476","","","","","","1.0982","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4072259","7.775","0.006","11.533","0.008","12.12","0.009","75.005","0.009","73.448","0.008","84.909","0.008","1006.1","1.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H36 F12 N14 Ni2 P2 -","- C30 H36 F12 N14 Ni2 P2 -","- C30 H36 F12 N14 Ni2 P2 -","1","0.5","","Zhou, Yongbo; Xi, Zhenxing; Chen, Wanzhi; Wang, Daqi","Dinickel(II) Complexes of Bis(N-heterocyclic carbene) Ligands Containing [Ni2(μ-OH)] Cores as Highly Efficient Catalysts for the Coupling of Aryl Chlorides","Organometallics","2008","27","22","5911","","10.1021/om800711g","","","0.71073","MoKα","","0.0529","0.0381","","","0.0974","0.1044","","","","","","0.983","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072260","15.508","0.002","7.7234","0.0016","32.033","0.003","90","","114.543","0.004","90","","3490.1","0.9","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 F12 N8 Ni2 O P2 -","- C23 H22 F12 N8 Ni2 O P2 -","- C92 H88 F48 N32 Ni8 O4 P8 -","4","1","","Zhou, Yongbo; Xi, Zhenxing; Chen, Wanzhi; Wang, Daqi","Dinickel(II) Complexes of Bis(N-heterocyclic carbene) Ligands Containing [Ni2(μ-OH)] Cores as Highly Efficient Catalysts for the Coupling of Aryl Chlorides","Organometallics","2008","27","22","5911","","10.1021/om800711g","","","0.71073","MoKα","","0.114","0.0629","","","0.1537","0.17","","","","","","0.926","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072261","8.0204","0.001","13.7196","0.0015","14.9468","0.0018","109.605","0.009","96.764","0.001","101.033","0.01","1491","0.3","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H21 F12 N9 Ni2 O P2 -","- C23 H21 F12 N9 Ni2 O P2 -","- C46 H42 F24 N18 Ni4 O2 P4 -","2","1","","Zhou, Yongbo; Xi, Zhenxing; Chen, Wanzhi; Wang, Daqi","Dinickel(II) Complexes of Bis(N-heterocyclic carbene) Ligands Containing [Ni2(μ-OH)] Cores as Highly Efficient Catalysts for the Coupling of Aryl Chlorides","Organometallics","2008","27","22","5911","","10.1021/om800711g","","","0.71073","MoKα","","0.0803","0.0518","","","0.1357","0.1615","","","","","","1.04","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072262","10.1297","0.0011","8.8751","0.001","26.927","0.003","90","","100.262","0.002","90","","2382.1","0.5","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H32 P2 Si V -","- C23 H32 P2 Si V -","- C92 H128 P8 Si4 V4 -","4","1","","Shinohara, Akihiro; McBee, Jennifer; Waterman, Rory; Tilley, T. Don","Paramagnetic Vanadium Silyl Complexes: Synthesis, Structure, and Reactivity","Organometallics","2008","27","21","5717","","10.1021/om800712k","","","0.71073","MoKα","","0.0647","0.0427","","","0.0784","0.0848","","","","","","0.931","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072263","15.365","0.006","17.074","0.006","17.199","0.007","90","","90","","90","","4512","3","152","2","152","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H34 P2 Si V -","- C20 H34 P2 Si V -","- C160 H272 P16 Si8 V8 -","8","2","","Shinohara, Akihiro; McBee, Jennifer; Waterman, Rory; Tilley, T. Don","Paramagnetic Vanadium Silyl Complexes: Synthesis, Structure, and Reactivity","Organometallics","2008","27","21","5717","","10.1021/om800712k","","","0.71073","MoKα","","0.1133","0.0607","","","0.108","0.1237","","","","","","0.992","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072264","17.424","0.0013","9.493","0.0007","17.8481","0.0014","90","","90","","90","","2952.2","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C29 H37 Cl2 P2 Si V -","- C29 H37 Cl2 P2 Si V -","- C116 H148 Cl8 P8 Si4 V4 -","4","1","","Shinohara, Akihiro; McBee, Jennifer; Waterman, Rory; Tilley, T. Don","Paramagnetic Vanadium Silyl Complexes: Synthesis, Structure, and Reactivity","Organometallics","2008","27","21","5717","","10.1021/om800712k","","","0.71073","MoKα","","0.0603","0.0335","","","0.0543","0.0564","","","","","","0.632","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072265","7.024","0.002","13.185","0.004","8.438","0.002","90","","101.602","0.004","90","","765.5","0.4","125","2","125","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H21 O2 P2 V -","- C13 H21 O2 P2 V -","- C26 H42 O4 P4 V2 -","2","0.5","","Shinohara, Akihiro; McBee, Jennifer; Waterman, Rory; Tilley, T. Don","Paramagnetic Vanadium Silyl Complexes: Synthesis, Structure, and Reactivity","Organometallics","2008","27","21","5717","","10.1021/om800712k","","","0.71073","MoKα","","0.0703","0.0391","","","0.0786","0.0834","","","","","","0.857","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072266","14.037","0.003","11.109","0.002","11.847","0.002","90","","115.2","0.03","90","","1671.6","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H23 Cl Ge N2 -","- C15 H23 Cl Ge N2 -","- C60 H92 Cl4 Ge4 N8 -","4","0.5","","Nagendran, Selvarajan; Sen, Sakya S.; Roesky, Herbert W.; Koley, Debasis; Grubmüller, Helmut; Pal, Aritra; Herbst-Irmer, Regine","RGe(I)Ge(I)R Compound (R = PhC(NtBu)2) with a Ge−Ge Single Bond and a Comparison with the Gauche Conformation of Hydrazine†","Organometallics","2008","27","21","5459","","10.1021/om800714f","","","1.54178","CuKα","","0.0299","0.029","","","0.0669","0.0675","","","","","","1.147","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072267","20.397","0.003","14.12","0.002","21.943","0.003","90","","90","","90","","6319.7","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C30 H46 Ge2 N4 -","- C30 H46 Ge2 N4 -","- C240 H368 Ge16 N32 -","8","1","","Nagendran, Selvarajan; Sen, Sakya S.; Roesky, Herbert W.; Koley, Debasis; Grubmüller, Helmut; Pal, Aritra; Herbst-Irmer, Regine","RGe(I)Ge(I)R Compound (R = PhC(NtBu)2) with a Ge−Ge Single Bond and a Comparison with the Gauche Conformation of Hydrazine†","Organometallics","2008","27","21","5459","","10.1021/om800714f","","","1.54178","CuKα","","0.0467","0.0299","","","0.0661","0.0743","","","","","","1.043","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072268","10.546","0.0005","14.0282","0.0005","15.4839","0.0005","90","","106.382","0.0013","90","","2197.71","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 Cl2 Ir Ti -","- C20 H33 Cl2 Ir Ti -","- C80 H132 Cl8 Ir4 Ti4 -","4","1","","Oishi, Masataka; Kato, Takeshi; Nakagawa, Mayuko; Suzuki, Hiroharu","Synthesis and Reactivity of Early−Late Heterobimetallic Hydrides of Group 4 Metals and Iridium Supported by Mono(η5-C5Me5) Ancillary Ligands: Bimetallic Carbon−Hydrogen Bond Activation","Organometallics","2008","27","23","6046","","10.1021/om800715b","","","0.71069","MoKα","","0.0225","0.0206","","","0.0503","0.0516","","","","","","1.038","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072269","10.7052","0.0003","14.1183","0.0005","15.6994","0.0006","90","","105.764","0.0011","90","","2283.55","0.14","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H33 Cl2 Ir Zr -","- C20 H33 Cl2 Ir Zr -","- C80 H132 Cl8 Ir4 Zr4 -","4","1","","Oishi, Masataka; Kato, Takeshi; Nakagawa, Mayuko; Suzuki, Hiroharu","Synthesis and Reactivity of Early−Late Heterobimetallic Hydrides of Group 4 Metals and Iridium Supported by Mono(η5-C5Me5) Ancillary Ligands: Bimetallic Carbon−Hydrogen Bond Activation","Organometallics","2008","27","23","6046","","10.1021/om800715b","","","0.71069","MoKα","","0.0264","0.0231","","","0.0498","0.0515","","","","","","0.971","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072270","11.4919","0.0005","16.8746","0.0006","17.1034","0.0006","90.998","0.0011","94.715","0.0013","91.896","0.0014","3303","0.2","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H55 Ir Si2 Zr -","- C28.048 Ir Si2 Zr -","- C112.192 Ir4 Si8 Zr4 -","4","2","","Oishi, Masataka; Kato, Takeshi; Nakagawa, Mayuko; Suzuki, Hiroharu","Synthesis and Reactivity of Early−Late Heterobimetallic Hydrides of Group 4 Metals and Iridium Supported by Mono(η5-C5Me5) Ancillary Ligands: Bimetallic Carbon−Hydrogen Bond Activation","Organometallics","2008","27","23","6046","","10.1021/om800715b","","","0.71069","MoKα","","0.0572","0.044","","","0.1102","0.1176","","","","","","1.052","","","","has coordinates,has disorder","304654","2026-02-27","09:09:29",""
"4072271","11.1075","0.0008","11.5985","0.0007","12.909","0.0008","87.188","0.002","83.846","0.0019","82.685","0.002","1638.97","0.18","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H55 Hf Ir Si2 -","- C28 Hf Ir Si2 -","- C56 Hf2 Ir2 Si4 -","2","1","","Oishi, Masataka; Kato, Takeshi; Nakagawa, Mayuko; Suzuki, Hiroharu","Synthesis and Reactivity of Early−Late Heterobimetallic Hydrides of Group 4 Metals and Iridium Supported by Mono(η5-C5Me5) Ancillary Ligands: Bimetallic Carbon−Hydrogen Bond Activation","Organometallics","2008","27","23","6046","","10.1021/om800715b","","","0.71069","MoKα","","0.0448","0.0423","","","0.1226","0.1264","","","","","","1.057","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4072272","11.1561","0.0006","11.174","0.0007","12.3671","0.0008","89.535","0.002","81.628","0.0019","88.713","0.0017","1524.83","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H43 Ir N2 Zr -","- C32 H Ir N2 Zr -","- C64 H2 Ir2 N4 Zr2 -","2","1","","Oishi, Masataka; Kato, Takeshi; Nakagawa, Mayuko; Suzuki, Hiroharu","Synthesis and Reactivity of Early−Late Heterobimetallic Hydrides of Group 4 Metals and Iridium Supported by Mono(η5-C5Me5) Ancillary Ligands: Bimetallic Carbon−Hydrogen Bond Activation","Organometallics","2008","27","23","6046","","10.1021/om800715b","","","0.71069","MoKα","","0.0633","0.0434","","","0.0995","0.1268","","","","","","1.043","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072273","12.706","0.001","11.551","0.001","15.914","0.001","90","","98.78","0.01","90","","2308.3","0.3","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H34 Co N3 -","- C25 H34 Co N3 -","- C100 H136 Co4 N12 -","4","1","","Wallenhorst, Carolin; Kehr, Gerald; Luftmann, Heinrich; Fröhlich, Roland; Erker, Gerhard","Bis(iminoethyl)pyridine Systems with a Pendant Alkenyl Group. Part A: Cobalt and Iron Complexes and Their Catalytic Behavior†","Organometallics","2008","27","24","6547","","10.1021/om800726y","","","0.71073","MoKα","","0.0824","0.0458","","","0.0945","0.1062","","","","","","1.015","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072274","8.42","0.003","11.852","0.001","12.291","0.002","109.84","0.01","108.27","0.02","90.96","0.02","1085.1","0.5","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H31 N3 -","- C24 H31 N3 -","- C48 H62 N6 -","2","1","","Wallenhorst, Carolin; Kehr, Gerald; Luftmann, Heinrich; Fröhlich, Roland; Erker, Gerhard","Bis(iminoethyl)pyridine Systems with a Pendant Alkenyl Group. Part A: Cobalt and Iron Complexes and Their Catalytic Behavior†","Organometallics","2008","27","24","6547","","10.1021/om800726y","","","1.54178","CuKα","","0.1257","0.0556","","","0.1423","0.1619","","","","","","1.01","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072275","8.459","0.001","11.49","0.001","12.48","0.001","100.34","0.01","107.97","0.01","95.02","0.01","1121.8","0.2","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H33 N3 -","- C25 H33 N3 -","- C50 H66 N6 -","2","1","","Wallenhorst, Carolin; Kehr, Gerald; Luftmann, Heinrich; Fröhlich, Roland; Erker, Gerhard","Bis(iminoethyl)pyridine Systems with a Pendant Alkenyl Group. Part A: Cobalt and Iron Complexes and Their Catalytic Behavior†","Organometallics","2008","27","24","6547","","10.1021/om800726y","","","1.54178","CuKα","","0.054","0.0505","","","0.1382","0.1418","","","","","","1.048","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072276","9.247","0.001","20.691","0.001","12.481","0.001","90","","94.74","0.01","90","","2379.8","0.3","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 N3 -","- C26 H35 N3 -","- C104 H140 N12 -","4","1","","Wallenhorst, Carolin; Kehr, Gerald; Luftmann, Heinrich; Fröhlich, Roland; Erker, Gerhard","Bis(iminoethyl)pyridine Systems with a Pendant Alkenyl Group. Part A: Cobalt and Iron Complexes and Their Catalytic Behavior†","Organometallics","2008","27","24","6547","","10.1021/om800726y","","","1.54178","CuKα","","0.0675","0.0541","","","0.1395","0.1512","","","","","","1.044","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072277","12.387","0.001","16.007","0.001","12.911","0.001","90","","115.16","0.01","90","","2317.1","0.4","198","2","198","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H35 N3 -","- C25 H35 N3 -","- C100 H140 N12 -","4","1","","Wallenhorst, Carolin; Kehr, Gerald; Luftmann, Heinrich; Fröhlich, Roland; Erker, Gerhard","Bis(iminoethyl)pyridine Systems with a Pendant Alkenyl Group. Part A: Cobalt and Iron Complexes and Their Catalytic Behavior†","Organometallics","2008","27","24","6547","","10.1021/om800726y","","","0.71073","MoKα","","0.1179","0.0654","","","0.1571","0.1837","","","","","","1.034","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072278","17.433","0.001","9.802","0.001","15.579","0.001","90","","115.26","0.01","90","","2407.6","0.4","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H31 Cl2 Co N3 -","- C24 H31 Cl2 Co N3 -","- C96 H124 Cl8 Co4 N12 -","4","1","","Wallenhorst, Carolin; Kehr, Gerald; Luftmann, Heinrich; Fröhlich, Roland; Erker, Gerhard","Bis(iminoethyl)pyridine Systems with a Pendant Alkenyl Group. Part A: Cobalt and Iron Complexes and Their Catalytic Behavior†","Organometallics","2008","27","24","6547","","10.1021/om800726y","","","0.71073","MoKα","","0.1003","0.0823","","","0.2073","0.2164","","","","","","1.012","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072279","17.509","0.001","9.837","0.001","15.598","0.001","90","","114.4","0.01","90","","2446.6","0.4","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Cl2 Co N3 -","- C25 H33 Cl2 Co N3 -","- C100 H132 Cl8 Co4 N12 -","4","1","","Wallenhorst, Carolin; Kehr, Gerald; Luftmann, Heinrich; Fröhlich, Roland; Erker, Gerhard","Bis(iminoethyl)pyridine Systems with a Pendant Alkenyl Group. Part A: Cobalt and Iron Complexes and Their Catalytic Behavior†","Organometallics","2008","27","24","6547","","10.1021/om800726y","","","0.71073","MoKα","","0.075","0.0415","","","0.0721","0.0802","","","","","","1.015","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072280","9.451","0.001","13.486","0.001","10.434","0.001","90","","95.63","0.01","90","","1323.5","0.2","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H35 Cl2 Co N3 -","- C26 H35 Cl2 Co N3 -","- C52 H70 Cl4 Co2 N6 -","2","1","","Wallenhorst, Carolin; Kehr, Gerald; Luftmann, Heinrich; Fröhlich, Roland; Erker, Gerhard","Bis(iminoethyl)pyridine Systems with a Pendant Alkenyl Group. Part A: Cobalt and Iron Complexes and Their Catalytic Behavior†","Organometallics","2008","27","24","6547","","10.1021/om800726y","","","0.71073","MoKα","","0.0473","0.0389","","","0.0905","0.0957","","","","","","1.024","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072281","9.5883","0.0003","12.9838","0.0002","10.8393","0.0004","90","","92.006","0.002","90","","1348.59","0.07","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H37 Cl2 Co N3 -","- C27 H37 Cl2 Co N3 -","- C54 H74 Cl4 Co2 N6 -","2","1","","Wallenhorst, Carolin; Kehr, Gerald; Luftmann, Heinrich; Fröhlich, Roland; Erker, Gerhard","Bis(iminoethyl)pyridine Systems with a Pendant Alkenyl Group. Part A: Cobalt and Iron Complexes and Their Catalytic Behavior†","Organometallics","2008","27","24","6547","","10.1021/om800726y","","","0.71073","MoKα","","0.0747","0.051","","","0.0939","0.103","","","","","","1.023","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072282","17.316","0.005","9.809","0.004","15.391","0.003","90","","114.315","0.009","90","","2382.3","1.3","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Cl2 Fe N3 -","- C25 H33 Cl2 Fe N3 -","- C100 H132 Cl8 Fe4 N12 -","4","1","","Wallenhorst, Carolin; Kehr, Gerald; Luftmann, Heinrich; Fröhlich, Roland; Erker, Gerhard","Bis(iminoethyl)pyridine Systems with a Pendant Alkenyl Group. Part A: Cobalt and Iron Complexes and Their Catalytic Behavior†","Organometallics","2008","27","24","6547","","10.1021/om800726y","","","0.71073","MoKα","","0.1514","0.0901","","","0.2106","0.2501","","","","","","1.08","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072283","9.4994","0.0002","13.5202","0.0004","10.409","0.0003","90","","95.779","0.001","90","","1330.07","0.06","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H35 Cl2 Fe N3 -","- C26 H35 Cl2 Fe N3 -","- C52 H70 Cl4 Fe2 N6 -","2","1","","Wallenhorst, Carolin; Kehr, Gerald; Luftmann, Heinrich; Fröhlich, Roland; Erker, Gerhard","Bis(iminoethyl)pyridine Systems with a Pendant Alkenyl Group. Part A: Cobalt and Iron Complexes and Their Catalytic Behavior†","Organometallics","2008","27","24","6547","","10.1021/om800726y","","","0.71073","MoKα","","0.0841","0.0664","","","0.1655","0.1774","","","","","","1.065","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072284","9.688","0.001","11.853","0.001","36.224","0.001","90","","93.24","0.01","90","","4153","0.6","198","2","198","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43 H48 Cl4 N3 P Ru -","- C43 H48 Cl4 N3 P Ru -","- C172 H192 Cl16 N12 P4 Ru4 -","4","1","","Wallenhorst, Carolin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Unsymmetrical Bis(iminoethyl)pyridine Metal Complexes with a Pendant Alkenyl Substituent. Part B: Internal Olefin Coordination to Ruthenium†","Organometallics","2008","27","24","6557","","10.1021/om800727q","","","0.71073","MoKα","","0.062","0.0456","","","0.1225","0.1353","","","","","","1.03","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072285","15.651","0.001","10.898","0.001","30.092","0.001","90","","91.9","0.01","90","","5129.8","0.6","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H33 Cl2 N3 Ru -","- C25 H33 Cl2 N3 Ru -","- C200 H264 Cl16 N24 Ru8 -","8","2","","Wallenhorst, Carolin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Unsymmetrical Bis(iminoethyl)pyridine Metal Complexes with a Pendant Alkenyl Substituent. Part B: Internal Olefin Coordination to Ruthenium†","Organometallics","2008","27","24","6557","","10.1021/om800727q","","","0.71073","MoKα","","0.1016","0.056","","","0.1241","0.1408","","","","","","1.034","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072286","25.836","0.001","10.897","0.001","19.487","0.001","90","","96.4","0.01","90","","5452.1","0.6","198","2","198","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26.5 H36 Cl3 N3 Ru -","- C26.5 H36 Cl3 N3 Ru -","- C212 H288 Cl24 N24 Ru8 -","8","1","","Wallenhorst, Carolin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Unsymmetrical Bis(iminoethyl)pyridine Metal Complexes with a Pendant Alkenyl Substituent. Part B: Internal Olefin Coordination to Ruthenium†","Organometallics","2008","27","24","6557","","10.1021/om800727q","","","0.71073","MoKα","","0.0611","0.0544","","","0.1472","0.1548","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072287","25.8516","0.0005","10.8712","0.0002","20.0594","0.0003","90","","94.351","0.001","90","","5621.2","0.17","198","2","198","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27.5 H38 Cl3 N3 Ru -","- C27.5 H38 Cl3 N3 Ru -","- C220 H304 Cl24 N24 Ru8 -","8","1","","Wallenhorst, Carolin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Unsymmetrical Bis(iminoethyl)pyridine Metal Complexes with a Pendant Alkenyl Substituent. Part B: Internal Olefin Coordination to Ruthenium†","Organometallics","2008","27","24","6557","","10.1021/om800727q","","","0.71073","MoKα","","0.0565","0.0421","","","0.0941","0.1","","","","","","1.146","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072288","15.031","0.001","10.724","0.001","19.3","0.001","90","","101.05","0.01","90","","3053.3","0.4","198","2","198","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H44 Cl2 N3 P Ru -","- C29 H44 Cl2 N3 P Ru -","- C116 H176 Cl8 N12 P4 Ru4 -","4","1","","Wallenhorst, Carolin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Unsymmetrical Bis(iminoethyl)pyridine Metal Complexes with a Pendant Alkenyl Substituent. Part B: Internal Olefin Coordination to Ruthenium†","Organometallics","2008","27","24","6557","","10.1021/om800727q","","","0.71073","MoKα","","0.0575","0.0387","","","0.0681","0.0733","","","","","","1.071","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072289","15.6678","0.0004","10.4923","0.0004","19.886","0.0006","90","","102.581","0.003","90","","3190.59","0.18","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H46 Cl2 N3 P Ru -","- C30 H46 Cl2 N3 P Ru -","- C120 H184 Cl8 N12 P4 Ru4 -","4","1","","Wallenhorst, Carolin; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard","Unsymmetrical Bis(iminoethyl)pyridine Metal Complexes with a Pendant Alkenyl Substituent. Part B: Internal Olefin Coordination to Ruthenium†","Organometallics","2008","27","24","6557","","10.1021/om800727q","","","0.71073","MoKα","","0.1017","0.0469","","","0.0936","0.1107","","","","","","1.018","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072290","13.7417","0.0013","8.8007","0.0009","15.3125","0.0015","90","","111.659","0.011","90","","1721.1","0.3","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N3 P S -","- C18 H18 N3 P S -","- C72 H72 N12 P4 S4 -","4","1","","Oshovsky, Gennady V.; Ouali, Armelle; Xia, Ning; Zablocka, Maria; Boeré, René T.; Duhayon, Carine; Taillefer, Marc; Majoral, Jean Pierre","Thiazolyl Phosphine Ligands for Copper-Catalyzed Arylation and Vinylation of Nucleophiles in Organic and Aqueous Media","Organometallics","2008","27","21","5733","","10.1021/om800728m","","","0.71073","MoKα","","0.0661","0.0398","","0.0462","0.0396","0.0396","","","","","","1.1308","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072291","6.0288","0.0004","18.5959","0.0008","12.3146","0.0006","90","","93.68","0.004","90","","1377.75","0.13","180","","180","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N2 P S -","- C15 H13 N2 P S -","- C60 H52 N8 P4 S4 -","4","1","","Oshovsky, Gennady V.; Ouali, Armelle; Xia, Ning; Zablocka, Maria; Boeré, René T.; Duhayon, Carine; Taillefer, Marc; Majoral, Jean Pierre","Thiazolyl Phosphine Ligands for Copper-Catalyzed Arylation and Vinylation of Nucleophiles in Organic and Aqueous Media","Organometallics","2008","27","21","5733","","10.1021/om800728m","","","0.71073","MoKα","","0.0404","0.0286","","0.0362","0.0327","0.0327","","","","","","1.1056","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072292","8.0591","0.0001","18.4282","0.0003","18.6374","0.0003","90","","99.198","0.001","90","","2732.34","0.07","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 B Mo N6 O3 Se -","- C23 H35 B Mo N6 O3 Se -","- C92 H140 B4 Mo4 N24 O12 Se4 -","4","1","","Cordiner, Richard L.; Hill, Anthony F.; Wagler, Jörg","Facile Generation of Lithiocarbyne Complexes: [M(CLi)(CO)2{HB(pzMe2)3}] (M = Mo, W; pz = Pyrazol-1-yl)","Organometallics","2008","27","20","5177","","10.1021/om800733m","","","0.71073","MoKα","","0.0453","0.0345","","","0.088","0.0923","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072293","7.015","0.005","8.164","0.005","14.067","0.01","75.68","0.02","83.06","0.02","70.01","0.02","733","0.9","193.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C11 H12 Cl F3 N2 O2 Ru S -","- C11 H12 Cl F3 N2 O2 Ru S -","- C22 H24 Cl2 F6 N4 O4 Ru2 S2 -","2","1","","Ito, Masato; Endo, Yoshinori; Ikariya, Takao","Well-Defined Triflylamide-Tethered Arene−Ru(Tsdpen) Complexes for Catalytic Asymmetric Hydrogenation of Ketones","Organometallics","2008","27","23","6053","","10.1021/om800735z","","","0.7107","MoKα","","","0.04","","","","0.112","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072294","11.781","0.015","9.656","0.012","14.3","0.019","90","","105.102","0.016","90","","1571","3","193.1","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 Cl F3 N2 O2 Ru S -","- C12 H14 Cl F3 N2 O2 Ru S -","- C48 H56 Cl4 F12 N8 O8 Ru4 S4 -","4","1","","Ito, Masato; Endo, Yoshinori; Ikariya, Takao","Well-Defined Triflylamide-Tethered Arene−Ru(Tsdpen) Complexes for Catalytic Asymmetric Hydrogenation of Ketones","Organometallics","2008","27","23","6053","","10.1021/om800735z","","","0.7107","MoKα","","","0.044","","","","0.163","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072295","10.3427","0.0018","13.9319","0.0018","11.2884","0.0019","90","","99.369","0.01","90","","1604.9","0.4","193.1","","","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C32 H33 F3 N4 O4 Ru S2 -","- C32 H33 F3 N4 O4 Ru S2 -","- C64 H66 F6 N8 O8 Ru2 S4 -","2","1","","Ito, Masato; Endo, Yoshinori; Ikariya, Takao","Well-Defined Triflylamide-Tethered Arene−Ru(Tsdpen) Complexes for Catalytic Asymmetric Hydrogenation of Ketones","Organometallics","2008","27","23","6053","","10.1021/om800735z","","","0.7107","MoKα","","","0.0383","","","","0.1132","","","","","","1.001","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072296","13.297","0.0001","16.628","0.0002","21.755","0.0003","90","","90","","90","","4810.09","0.1","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C48 H78 Ca N2 O2 Si -","- C48 H78 Ca N2 O2 Si -","- C192 H312 Ca4 N8 O8 Si4 -","4","1","","Barrett, Anthony G. M.; Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.; Lomas, Sarah L.; Mahon, Mary F.; Procopiou, Panayiotis A.; Suntharalingam, Kogularamanan","β-Diketiminato Calcium Acetylides: Synthesis, Solution Dimerization, and Catalytic Carbon−Carbon Bond Formation","Organometallics","2008","27","23","6300","","10.1021/om800738r","","","0.71073","MoKα","","0.0462","0.0367","","","0.0866","0.0913","","","","","","1.052","","","","has coordinates,has disorder","178611","2020-10-21","18:00:00",""
"4072297","11.7318","0.0001","18.3367","0.0002","23.4138","0.0003","90","","94.186","0.001","90","","5023.4","0.09","173","2","173","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H77 Ca N4 O -","- C52 H77 Ca N4 O -","- C208 H308 Ca4 N16 O4 -","4","1","","Barrett, Anthony G. M.; Crimmin, Mark R.; Hill, Michael S.; Hitchcock, Peter B.; Lomas, Sarah L.; Mahon, Mary F.; Procopiou, Panayiotis A.; Suntharalingam, Kogularamanan","β-Diketiminato Calcium Acetylides: Synthesis, Solution Dimerization, and Catalytic Carbon−Carbon Bond Formation","Organometallics","2008","27","23","6300","","10.1021/om800738r","","x-ray","0.71073","MoKα","","0.0634","0.0477","","","0.121","0.1314","","","","","","1.022","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4072298","8.3256","0.0005","15.1105","0.001","21.0117","0.0014","84.0995","0.0009","79.32","0.0009","78.8049","0.0009","2542","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H38 N P Ru -","- C27 H38 N P Ru -","- C108 H152 N4 P4 Ru4 -","4","2","","Rankin, Matthew A.; Schatte, Gabriele; McDonald, Robert; Stradiotto, Mark","Indenyl Hemilability: Unveiling a Masked (η5-C5Me5)Ru(κ2-P,Carbene) Zwitterion Via Facile and Reversible Ru−C(sp3) Bond Cleavage","Organometallics","2008","27","23","6286","","10.1021/om800740z","","","0.71073","MoKα","","0.0282","0.0247","","","0.0656","0.0691","","","","","","1.089","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072299","9.487","0.0017","11.844","0.002","16.851","0.004","98.505","0.01","101.4","0.008","107.029","0.009","1731.4","0.6","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H50 N P Ru Si -","- C39 H50 N P Ru Si -","- C78 H100 N2 P2 Ru2 Si2 -","2","1","","Rankin, Matthew A.; Schatte, Gabriele; McDonald, Robert; Stradiotto, Mark","Indenyl Hemilability: Unveiling a Masked (η5-C5Me5)Ru(κ2-P,Carbene) Zwitterion Via Facile and Reversible Ru−C(sp3) Bond Cleavage","Organometallics","2008","27","23","6286","","10.1021/om800740z","","","0.71073","MoKα","","0.0964","0.0631","","","0.1269","0.1436","","","","","","1.045","","","","has coordinates","178611","2020-10-21","18:00:00",""
"4072300","8.83","0.0003","10.96","0.0004","17.135","0.0005","87.246","0.002","83.675","0.002","69.536","0.002","1544.08","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H48 N3 P Ru -","- C34 H48 N3 P Ru -","- C68 H96 N6 P2 Ru2 -","2","1","","Rankin, Matthew A.; Schatte, Gabriele; McDonald, Robert; Stradiotto, Mark","Indenyl Hemilability: Unveiling a Masked (η5-C5Me5)Ru(κ2-P,Carbene) Zwitterion Via Facile and Reversible Ru−C(sp3) Bond Cleavage","Organometallics","2008","27","23","6286","","10.1021/om800740z","","","0.71073","MoKα","","0.0642","0.0459","","","0.0917","0.102","","","","","","1.043","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072301","12.903","0.0016","12.922","0.001","15.899","0.0012","74.415","0.003","71.476","0.005","70.052","0.004","2324.2","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H64 N P2 Ru -","- C54 H64 N P2 Ru -","- C108 H128 N2 P4 Ru2 -","2","1","","Rankin, Matthew A.; Schatte, Gabriele; McDonald, Robert; Stradiotto, Mark","Indenyl Hemilability: Unveiling a Masked (η5-C5Me5)Ru(κ2-P,Carbene) Zwitterion Via Facile and Reversible Ru−C(sp3) Bond Cleavage","Organometallics","2008","27","23","6286","","10.1021/om800740z","","","0.71073","MoKα","","0.0555","0.0413","","","0.0842","0.0906","","","","","","1.021","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072302","8.815","0.0004","10.673","0.0004","18.027","0.0008","76.406","0.002","75.879","0.003","69.245","0.002","1517.25","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H45 N P2 Ru -","- C33 H45 N P2 Ru -","- C66 H90 N2 P4 Ru2 -","2","1","","Rankin, Matthew A.; Schatte, Gabriele; McDonald, Robert; Stradiotto, Mark","Indenyl Hemilability: Unveiling a Masked (η5-C5Me5)Ru(κ2-P,Carbene) Zwitterion Via Facile and Reversible Ru−C(sp3) Bond Cleavage","Organometallics","2008","27","23","6286","","10.1021/om800740z","","","0.71073","MoKα","","0.0616","0.0428","","","0.0904","0.1009","","","","","","1.061","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072303","15.986","0.0002","22.708","0.0004","23.811","0.0002","90","","90","","90","","8643.6","0.2","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C51 H59 N P2 Ru -","- C51 H59 N P2 Ru -","- C408 H472 N8 P16 Ru8 -","8","1","","Rankin, Matthew A.; Schatte, Gabriele; McDonald, Robert; Stradiotto, Mark","Indenyl Hemilability: Unveiling a Masked (η5-C5Me5)Ru(κ2-P,Carbene) Zwitterion Via Facile and Reversible Ru−C(sp3) Bond Cleavage","Organometallics","2008","27","23","6286","","10.1021/om800740z","","","0.71073","MoKα","","0.0647","0.0405","","","0.0863","0.0974","","","","","","1.029","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072304","10.951","0.0009","14.3673","0.0012","16.7877","0.0013","84.2967","0.0011","77.9902","0.001","73.5579","0.001","2475.5","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H76.5 N4.5 P Ru -","- C55 H76.5 N4.5 P Ru -","- C110 H153 N9 P2 Ru2 -","2","1","","Rankin, Matthew A.; Schatte, Gabriele; McDonald, Robert; Stradiotto, Mark","Indenyl Hemilability: Unveiling a Masked (η5-C5Me5)Ru(κ2-P,Carbene) Zwitterion Via Facile and Reversible Ru−C(sp3) Bond Cleavage","Organometallics","2008","27","23","6286","","10.1021/om800740z","","","0.71073","MoKα","","0.0426","0.037","","","0.0969","0.1016","","","","","","1.06","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4072305","9.566","0.002","9.877","0.002","15.129","0.004","104.407","0.004","95.245","0.004","112.58","0.004","1250.1","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 Ni O5 P S -","- C28 H27 Ni O5 P S -","- C56 H54 Ni2 O10 P2 S2 -","2","1","","Zhou, Xiaoyuan; Bontemps, Sébastien; Jordan, Richard F.","Base-Free Phosphine−Sulfonate Nickel Benzyl Complexes","Organometallics","2008","27","19","4821","","10.1021/om800741w","","","0.71073","MoKα","","0.0687","0.0488","","","0.1136","0.1204","","","","","","0.985","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072306","10.524","0.003","14.941","0.004","17.791","0.005","87.493","0.005","85.024","0.005","81.311","0.005","2753.6","1.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H78 Ni2 O6 P2 S2 -","- C59 H78 Ni2 O6 P2 S2 -","- C118 H156 Ni4 O12 P4 S4 -","2","1","","Zhou, Xiaoyuan; Bontemps, Sébastien; Jordan, Richard F.","Base-Free Phosphine−Sulfonate Nickel Benzyl Complexes","Organometallics","2008","27","19","4821","","10.1021/om800741w","","","0.71073","MoKα","","0.0877","0.0514","","","0.0973","0.1075","","","","","","0.892","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072307","17.0596","0.0007","8.9122","0.0003","18.6207","0.0007","90","","93.9558","0.0014","90","","2824.32","0.18","173.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H43 Cl2 P Ru2 S -","- C25 H43 Cl2 P Ru2 S -","- C100 H172 Cl8 P4 Ru8 S4 -","4","1","","Miyake, Yoshihiro; Endo, Satoshi; Yuki, Masahiro; Tanabe, Yoshiaki; Nishibayashi, Yoshiaki","Synthesis and Reactivity of Hybrid Phosphido- and Thiolato-Bridged Diruthenium Complexes","Organometallics","2008","27","22","6039","","10.1021/om800749e","","","0.71069","MoKα","","","0.0322","","","","0.0761","","","","","","1.05","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072308","10.5851","0.0004","12.3136","0.0007","13.1597","0.0007","78.4177","0.0017","81.6515","0.0015","89.9665","0.0016","1661.79","0.14","173.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C32 H49 Cl2 O P Ru2 S -","- C32 H49 Cl2 O P Ru2 S -","- C64 H98 Cl4 O2 P2 Ru4 S2 -","2","1","","Miyake, Yoshihiro; Endo, Satoshi; Yuki, Masahiro; Tanabe, Yoshiaki; Nishibayashi, Yoshiaki","Synthesis and Reactivity of Hybrid Phosphido- and Thiolato-Bridged Diruthenium Complexes","Organometallics","2008","27","22","6039","","10.1021/om800749e","","","0.71075","MoKα","","","0.022","","","","0.0494","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072309","12.7759","0.0014","15.4131","0.0017","16.196","0.0018","90","","112.371","0.002","90","","2949.2","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 O2 P2 -","- C38 H34 O2 P2 -","- C152 H136 O8 P8 -","4","1","","Doherty, Simon; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William","Highly Enantioselective Synthesis of Pseudo-C2-Symmetric Axially Chiral Biaryl Diphosphines via Rhodium-Catalyzed Double [2 + 2 + 2] Cycloaddition","Organometallics","2008","27","19","4837","","10.1021/om800755x","","","0.71073","MoKα","","0.0506","0.0405","","","0.1056","0.1134","","","","","","1.076","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072310","39.18","0.009","12.3931","0.0015","17.421","0.006","90","","102.162","0.017","90","","8269","4","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H47 O7.5 P2 -","- C48 H47 O7.5 P2 -","- C384 H376 O60 P16 -","8","1","","Doherty, Simon; Smyth, Catherine H.; Harrington, Ross W.; Clegg, William","Highly Enantioselective Synthesis of Pseudo-C2-Symmetric Axially Chiral Biaryl Diphosphines via Rhodium-Catalyzed Double [2 + 2 + 2] Cycloaddition","Organometallics","2008","27","19","4837","","10.1021/om800755x","","","0.71073","MoKα","","0.0784","0.0497","","","0.1324","0.1512","","","","","","1.157","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072311","11.3177","0.0002","12.8037","0.0003","17.9585","0.0004","90","","91.143","0.001","90","","2601.82","0.1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 F6 I Ir N2 P -","- C23 H31 F6 I Ir N2 P -","- C92 H124 F24 I4 Ir4 N8 P4 -","4","1","","Song, Guoyong; Zhang, Yao; Su, Yan; Deng, Weiqiao; Han, Keli; Li, Xingwei","Pyridine-Based N-Heterocyclic Carbene Hydride Complexes of Iridium via C−H Activation","Organometallics","2008","27","23","6193","","10.1021/om800756c","","","0.71073","MoKα","","0.0582","0.054","","","0.1094","0.1116","","","","","","1.206","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072312","13.0166","0.0004","13.5422","0.0004","24.0445","0.0007","85.127","0.001","82.979","0.002","87.956","0.001","4190","0.2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C27.67 H28 Br F6 Ir N2.33 Sb -","- C27.6667 H28 Br F6 Ir N2.33333 Sb -","- C166 H168 Br6 F36 Ir6 N14 Sb6 -","6","3","","Song, Guoyong; Zhang, Yao; Su, Yan; Deng, Weiqiao; Han, Keli; Li, Xingwei","Pyridine-Based N-Heterocyclic Carbene Hydride Complexes of Iridium via C−H Activation","Organometallics","2008","27","23","6193","","10.1021/om800756c","","","0.71073","MoKα","","0.0848","0.0389","","","0.0929","0.121","","","","","","1.035","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072313","14.5088","0.0004","12.9346","0.0003","14.1699","0.0004","90","","99.892","0.001","90","","2619.67","0.12","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 F6 I Ir N2 Sb -","- C24 H29 F6 I Ir N2 Sb -","- C96 H116 F24 I4 Ir4 N8 Sb4 -","4","1","","Song, Guoyong; Zhang, Yao; Su, Yan; Deng, Weiqiao; Han, Keli; Li, Xingwei","Pyridine-Based N-Heterocyclic Carbene Hydride Complexes of Iridium via C−H Activation","Organometallics","2008","27","23","6193","","10.1021/om800756c","","","0.71073","MoKα","","0.022","0.0197","","","0.0443","0.0456","","","","","","1.055","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072314","14.011","0.0004","19.8007","0.0006","9.4425","0.0003","90","","93.9572","0.0012","90","","2613.36","0.14","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ti(NNPh2)Cl2(py)3","","- C27 H25 Cl2 N5 Ti -","- C27 H25 Cl2 N5 Ti -","- C108 H100 Cl8 N20 Ti4 -","4","0.5","","Selby, Jonathan D.; Manley, Catherine D.; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip","Titanium Hydrazides Supported by Diamide-Amine and Related Ligands: A Combined Experimental and DFT Study","Organometallics","2008","27","24","6479","","10.1021/om8007597","","","0.71073","MoKα","","0.0574","0.0337","","0.0538","0.0367","0.0367","","","","","","1.1086","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072315","22.2899","0.0002","17.6264","0.0002","19.8028","0.0002","90","","91.9807","0.0006","90","","7775.69","0.14","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Ti(NNPh2)Cl2(py')3","","- C39 H49 Cl2 N5 Ti -","- C39 H49 Cl2 N5 Ti -","- C312 H392 Cl16 N40 Ti8 -","8","2","","Selby, Jonathan D.; Manley, Catherine D.; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip","Titanium Hydrazides Supported by Diamide-Amine and Related Ligands: A Combined Experimental and DFT Study","Organometallics","2008","27","24","6479","","10.1021/om8007597","","","0.71073","MoKα","","0.0738","0.0397","","0.07","0.0474","0.0474","","","","","","1.1118","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4072316","10.1794","0.0005","11.18","0.0007","13.8952","0.0008","89.726","0.003","77.178","0.002","85.912","0.003","1537.9","0.15","150","","150","","","","","","","","","5","P -1","-P 1","2","","Ti(NNPh2)(N2N_C2Me)(py)","","- C28 H44 N6 Si2 Ti -","- C28 H44 N6 Si2 Ti -","- C56 H88 N12 Si4 Ti2 -","2","1","","Selby, Jonathan D.; Manley, Catherine D.; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip","Titanium Hydrazides Supported by Diamide-Amine and Related Ligands: A Combined Experimental and DFT Study","Organometallics","2008","27","24","6479","","10.1021/om8007597","","","0.71073","MoKα","","0.1286","0.0728","","0.1097","0.08","0.08","","","","","","1.2067","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072317","10.3113","0.0002","11.9118","0.0003","14.0949","0.0003","92.133","0.001","90.7564","0.001","90.655","0.001","1729.75","0.07","150","","150","","","","","","","","","5","P -1","-P 1","2","","Ti(NNPh2)(N2N_C2SiMe3)(py)","","- C30 H50 N6 Si3 Ti -","- C30 H50 N6 Si3 Ti -","- C60 H100 N12 Si6 Ti2 -","2","1","","Selby, Jonathan D.; Manley, Catherine D.; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip","Titanium Hydrazides Supported by Diamide-Amine and Related Ligands: A Combined Experimental and DFT Study","Organometallics","2008","27","24","6479","","10.1021/om8007597","","","0.71073","MoKα","","0.0592","0.035","","0.054","0.0369","0.0369","","","","","","1.1159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072318","11.5182","0.0002","14.5639","0.0003","20.0751","0.0004","90","","100.681","0.0008","90","","3309.25","0.11","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ti(NNPh2)(N2N_C3Me)(py)","","- C30 H48 N6 Si2 Ti -","- C30 H48 N6 Si2 Ti -","- C120 H192 N24 Si8 Ti4 -","4","1","","Selby, Jonathan D.; Manley, Catherine D.; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip","Titanium Hydrazides Supported by Diamide-Amine and Related Ligands: A Combined Experimental and DFT Study","Organometallics","2008","27","24","6479","","10.1021/om8007597","","","0.71073","MoKα","","0.0598","0.0429","","0.0396","0.0387","0.0387","","","","","","1.0519","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072319","10.1894","0.0002","10.3302","0.0002","17.9754","0.0004","95.5849","0.001","103.246","0.0011","111.583","0.001","1677.77","0.06","150","","150","","","","","","","","","5","P -1","-P 1","2","","Ti(NNPh2)(N2Npy)(py)","","- C32 H44 N6 Si2 Ti -","- C32 H44 N6 Si2 Ti -","- C64 H88 N12 Si4 Ti2 -","2","1","","Selby, Jonathan D.; Manley, Catherine D.; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip","Titanium Hydrazides Supported by Diamide-Amine and Related Ligands: A Combined Experimental and DFT Study","Organometallics","2008","27","24","6479","","10.1021/om8007597","","","0.71073","MoKα","","0.0695","0.0524","","0.0484","0.0448","0.0448","","","","","","1.0191","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072320","14.1398","0.0001","20.4771","0.0002","23.2038","0.0002","71.222","0.0003","89.4679","0.0003","71.0947","0.0004","5983.79","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","Ti2(O2NN')2(u-NNMe2)2 . 0.5(C5H12)","","- C54.5 H70 N8 O4 Ti2 -","- C54.5 H70 N8 O4 Ti2 -","- C218 H280 N32 O16 Ti8 -","4","2","","Selby, Jonathan D.; Manley, Catherine D.; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip","Titanium Hydrazides Supported by Diamide-Amine and Related Ligands: A Combined Experimental and DFT Study","Organometallics","2008","27","24","6479","","10.1021/om8007597","","","0.71073","MoKα","","0.0955","0.0636","","0.0884","0.0712","0.0712","","","","","","1.0513","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072321","9.8205","0.0009","10.6036","0.0009","11.7149","0.001","74.735","0.007","80.07","0.007","84.505","0.007","1157.6","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H72 Fe2 Li4 O7 -","- C48 H72 Fe2 Li4 O7 -","- C48 H72 Fe2 Li4 O7 -","1","0.5","","Perucha, Alejandro Sánchez; Heilmann-Brohl, Julia; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Comparison of Doubly Lithiated, Magnesiated, and Zincated Ferrocenes: [Fe(η5-C5H4)2]2Zn2(tmeda)2, the First Example of a [1.1]Ferrocenophane with Bridging First-Row Transition Metal Atoms","Organometallics","2008","27","23","6170","","10.1021/om800765a","","","0.71073","MoKα","","0.0315","0.029","","","0.0788","0.0799","","","","","","1.051","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072322","21.715","0.004","10.645","0.002","17.523","0.004","90","","105.58","0.03","90","","3901.7","1.5","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Fe3 Mg3 N4 -","- C42 H56 Fe3 Mg3 N4 -","- C168 H224 Fe12 Mg12 N16 -","4","0.5","","Perucha, Alejandro Sánchez; Heilmann-Brohl, Julia; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Comparison of Doubly Lithiated, Magnesiated, and Zincated Ferrocenes: [Fe(η5-C5H4)2]2Zn2(tmeda)2, the First Example of a [1.1]Ferrocenophane with Bridging First-Row Transition Metal Atoms","Organometallics","2008","27","23","6170","","10.1021/om800765a","","","0.71073","MoKα","","0.0351","0.0283","","","0.0658","0.068","","","","","","1.031","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072323","31.401","0.002","18.6781","0.001","8.9302","0.0006","90","","90.241","0.006","90","","5237.6","0.6","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H72 Fe2 N4 Zn2 -","- C56 H72 Fe2 N4 Zn2 -","- C224 H288 Fe8 N16 Zn8 -","4","0.5","","Perucha, Alejandro Sánchez; Heilmann-Brohl, Julia; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","Comparison of Doubly Lithiated, Magnesiated, and Zincated Ferrocenes: [Fe(η5-C5H4)2]2Zn2(tmeda)2, the First Example of a [1.1]Ferrocenophane with Bridging First-Row Transition Metal Atoms","Organometallics","2008","27","23","6170","","10.1021/om800765a","","","0.71073","MoKα","","0.0695","0.0453","","","0.1008","0.1091","","","","","","1.04","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072324","5.8485","0.0002","17.0481","0.0005","12.987","0.0004","90","","92.072","0.001","90","","1294.03","0.07","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Fe -","- C17 H18 Fe -","- C68 H72 Fe4 -","4","1","","Ogasawara, Masamichi; Watanabe, Susumu; Nakajima, Kiyohiko; Takahashi, Tamotsu","Preparation of [4]- and [5]Ferrocenophanes by Ruthenium-Catalyzed Ring-Closing Ene−Yne Metathesis","Organometallics","2008","27","24","6565","","10.1021/om8007663","","","0.71075","MoKα","","0.0541","0.0385","","","0.077","0.0825","","","","","","1.107","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072325","9.0356","0.0003","27.0393","0.0008","11.4976","0.0003","90","","97.113","0.001","90","","2787.43","0.14","298","2","298","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C31 H34 Fe N4 -","- C31 H34 Fe N4 -","- C124 H136 Fe4 N16 -","4","1","","Ogasawara, Masamichi; Watanabe, Susumu; Nakajima, Kiyohiko; Takahashi, Tamotsu","Preparation of [4]- and [5]Ferrocenophanes by Ruthenium-Catalyzed Ring-Closing Ene−Yne Metathesis","Organometallics","2008","27","24","6565","","10.1021/om8007663","","","0.71075","MoKα","","0.1012","0.0697","","","0.1481","0.1622","","","","","","1.142","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072326","8.7156","0.0012","29.666","0.005","32.126","0.005","90","","90","","90","","8306","2","293","2","293","2","","","","","","","","6","I b c a","-I 2b 2c","73","","","","- C36 H60 B4 Cl2 N4 Y2 -","- C36 H60 B4 Cl2 N4 Y2 -","- C288 H480 B32 Cl16 N32 Y16 -","8","0.5","","Yuan, Yuanyuan; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Reactions of Boratabenzene Yttrium Complexes with KN(SiMe3)2: Salt Elimination and π-Ligand Displacement","Organometallics","2008","27","23","6307","","10.1021/om800770a","","","0.71073","MoKα","","0.1498","0.0431","","","0.0821","0.0997","","","","","","0.761","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072327","11.8415","0.0011","11.8468","0.0011","24.244","0.002","90","","101.164","0.002","90","","3336.7","0.5","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C75 H68 B4 Cl2 N4 Y2 -","- C75 H68 B4 Cl2 N4 Y2 -","- C150 H136 B8 Cl4 N8 Y4 -","2","1","","Yuan, Yuanyuan; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Reactions of Boratabenzene Yttrium Complexes with KN(SiMe3)2: Salt Elimination and π-Ligand Displacement","Organometallics","2008","27","23","6307","","10.1021/om800770a","","","0.71073","MoKα","","0.0954","0.0426","","","0.0785","0.0931","","","","","","0.917","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072328","8.6743","0.0009","17.8926","0.0019","25.385","0.003","90","","90","","90","","3939.9","0.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 B2 N3 Si2 Y -","- C40 H48 B2 N3 Si2 Y -","- C160 H192 B8 N12 Si8 Y4 -","4","1","","Yuan, Yuanyuan; Chen, Yaofeng; Li, Guangyu; Xia, Wei","Reactions of Boratabenzene Yttrium Complexes with KN(SiMe3)2: Salt Elimination and π-Ligand Displacement","Organometallics","2008","27","23","6307","","10.1021/om800770a","","","0.71073","MoKα","","0.1445","0.0487","","","0.0707","0.0921","","","","","","0.903","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072329","12.604","0.003","13.74","0.003","14.445","0.004","90","","97.494","0.004","90","","2480.2","1.1","202","2","202","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H90 Al2 Cr N4 P2 -","- C40 H90 Al2 Cr N4 P2 -","- C80 H180 Al4 Cr2 N8 P4 -","2","0.5","","Albahily, Khalid; Al-Baldawi, Danya; Gambarotta, Sandro; Koç, Ece; Duchateau, Robbert","Isolation of a Chromium Hydride Single-Component Ethylene Polymerization Catalyst","Organometallics","2008","27","22","5943","","10.1021/om800773k","","","0.71073","MoKα","","0.1052","0.0537","","","0.1292","0.1539","","","","","","1.055","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072330","9.702","0.004","10.454","0.004","14.135","0.008","107.554","0.006","95.139","0.009","101.52","0.006","1322","1.1","202","2","202","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H92 Al2 Cr2 N4 P2 -","- C40 H92 Al2 Cr2 N4 P2 -","- C40 H92 Al2 Cr2 N4 P2 -","1","0.5","","Albahily, Khalid; Al-Baldawi, Danya; Gambarotta, Sandro; Koç, Ece; Duchateau, Robbert","Isolation of a Chromium Hydride Single-Component Ethylene Polymerization Catalyst","Organometallics","2008","27","22","5943","","10.1021/om800773k","","","0.71073","MoKα","","0.1021","0.068","","","0.1813","0.2071","","","","","","1.021","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072331","13.531","0.003","11.219","0.002","20.357","0.004","90","","106.48","0.03","90","","2963.3","1.1","120","2","120","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","(quinolin-8-olato-kappaN^1^,kappaO^8^)(1H-indazole-kappaN^3^)- (1,2,3,4,5,6-hapto)-1-isopropyl-4-methylbenzene-ruthenium(II) trifluoromethanesulfonate dichloromethane solvate","","- C28 H28 Cl2 F3 N3 O4 Ru S -","- C28 H28 Cl2 F3 N3 O4 Ru S -","- C112 H112 Cl8 F12 N12 O16 Ru4 S4 -","4","1","","Schuecker, Raffael; John, Roland O.; Jakupec, Michael A.; Arion, Vladimir B.; Keppler, Bernhard K.","Water-Soluble Mixed-Ligand Ruthenium(II) and Osmium(II) Arene Complexes with High Antiproliferative Activity","Organometallics","2008","27","24","6587","","10.1021/om800774t","","","0.71073","MoKα","","0.0343","0.0273","","","0.0657","0.0688","","","","","","1.044","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4072332","10.441","0.0005","11.3821","0.0005","13.4172","0.0007","90.499","0.003","108.143","0.002","112.641","0.002","1383.35","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(quinolin-8-olato-kappaN^1^,kappaO^8^)(1H-indazol-1-ide-kappaN^2^) (1,2,3,4,5,6-hapto)-1-isopropyl-4-methylbenzene-osmium(II) trimethanol solvate","","- C29 H37 N3 O4 Os -","- C29 H37 N3 O4 Os -","- C58 H74 N6 O8 Os2 -","2","1","","Schuecker, Raffael; John, Roland O.; Jakupec, Michael A.; Arion, Vladimir B.; Keppler, Bernhard K.","Water-Soluble Mixed-Ligand Ruthenium(II) and Osmium(II) Arene Complexes with High Antiproliferative Activity","Organometallics","2008","27","24","6587","","10.1021/om800774t","","","0.71073","MoKα","","0.0139","0.0123","","","0.0298","0.0304","","","","","","1.065","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072333","12.819","0.003","12.076","0.002","15.823","0.003","90","","105.74","0.03","90","","2357.6","0.9","120","2","120","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(quinolin-8-olate-kappaN^1^,kappaO^8^)(1H-imidazole-kappaN^3^) (1,2,3,4,5,6-hapto)-1-isopropyl-4-methylbenzene-ruthenium(II) trifluoromethanesulfonate","","- C23 H24 F3 N3 O4 Ru S -","- C23 H24 F3 N3 O4 Ru S -","- C92 H96 F12 N12 O16 Ru4 S4 -","4","1","","Schuecker, Raffael; John, Roland O.; Jakupec, Michael A.; Arion, Vladimir B.; Keppler, Bernhard K.","Water-Soluble Mixed-Ligand Ruthenium(II) and Osmium(II) Arene Complexes with High Antiproliferative Activity","Organometallics","2008","27","24","6587","","10.1021/om800774t","","","0.71073","MoKα","","0.0246","0.0227","","","0.0597","0.0606","","","","","","1.099","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072334","19.878","0.004","22.441","0.004","14.179","0.003","90","","115.89","0.03","90","","5690","2","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","(1H-benzimidazole-kappaN^3^)(quinolin-8-olato-kappaN^1^, kappaO^8^)(1,2,3,4,5,6-hapto)-1-isopropyl-4-methylbenzene- ruthenium(II) trifluoromethanesulfonate diethyl ether solvate","","- C29 H31 F3 N3 O4.5 Ru S -","- C29 H31 F3 N3 O4.5 Ru S -","- C232 H248 F24 N24 O36 Ru8 S8 -","8","1","","Schuecker, Raffael; John, Roland O.; Jakupec, Michael A.; Arion, Vladimir B.; Keppler, Bernhard K.","Water-Soluble Mixed-Ligand Ruthenium(II) and Osmium(II) Arene Complexes with High Antiproliferative Activity","Organometallics","2008","27","24","6587","","10.1021/om800774t","","","0.71073","MoKα","","0.0426","0.0308","","","0.0726","0.0779","","","","","","1.061","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4072335","9.2497","0.0018","10.955","0.002","14.715","0.003","77.78","0.03","87.82","0.03","83.83","0.03","1448.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(1H-benzimidazole-kappaN^3^)(quinolin-8-olato-kappaN^1^, kappaO^8^)(1,2,3,4,5,6-hapto)-1-isopropyl-4-methylbenzene- osmium(II) hexafluorosulfate dimethanol solvate solvate","","- C28 H34 F6 N3 O3 Os P -","- C28 H34 F6 N3 O3 Os P -","- C56 H68 F12 N6 O6 Os2 P2 -","2","1","","Schuecker, Raffael; John, Roland O.; Jakupec, Michael A.; Arion, Vladimir B.; Keppler, Bernhard K.","Water-Soluble Mixed-Ligand Ruthenium(II) and Osmium(II) Arene Complexes with High Antiproliferative Activity","Organometallics","2008","27","24","6587","","10.1021/om800774t","","","0.71073","MoKα","","0.0237","0.0215","","","0.0517","0.0525","","","","","","1.03","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072336","17.261","0.004","10.044","0.002","16.238","0.003","90","","103.9","0.03","90","","2732.7","1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","(quinolin-8-olato-kappaN^1^,kappaO^8^)-(1,2,2,3,4,5,6-hapto)-1-isopropyl- 4-methylbenzene-9-methyladenine-kappa-N^7^)osmium(II)-hexafluorophosphate","","- C25 H27 F6 N6 O Os P -","- C25 H27 F6 N6 O Os P -","- C100 H108 F24 N24 O4 Os4 P4 -","4","1","","Schuecker, Raffael; John, Roland O.; Jakupec, Michael A.; Arion, Vladimir B.; Keppler, Bernhard K.","Water-Soluble Mixed-Ligand Ruthenium(II) and Osmium(II) Arene Complexes with High Antiproliferative Activity","Organometallics","2008","27","24","6587","","10.1021/om800774t","","","0.71073","MoKα","","0.0416","0.0279","","","0.0657","0.0705","","","","","","1.047","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072337","8.75","0.002","18.705","0.005","17.512","0.005","90","","96.759","0.004","90","","2846.2","1.3","105","2","105","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H51 Cl2 N Os P2 -","- C24 H51 Cl2 N Os P2 -","- C96 H204 Cl8 N4 Os4 P8 -","4","1","","Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; Oñate, Enrique","NH-Tautomerization of 2-Substituted Pyridines and Quinolines on Osmium and Ruthenium: Determining Factors and Mechanism","Organometallics","2008","27","23","6236","","10.1021/om8007772","","","0.71073","MoKα","","0.0792","0.0509","","","0.115","0.1286","","","","","","1.055","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072338","9.2152","0.0011","16.7244","0.0019","18.191","0.002","91.582","0.002","99.521","0.002","95.268","0.002","2750.7","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25.75 H38.5 Cl2 N3 O0.25 Os P -","- C25.75 H38.5 Cl2 N3 O0.25 Os P -","- C103 H154 Cl8 N12 O Os4 P4 -","4","2","","Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; Oñate, Enrique","NH-Tautomerization of 2-Substituted Pyridines and Quinolines on Osmium and Ruthenium: Determining Factors and Mechanism","Organometallics","2008","27","23","6236","","10.1021/om8007772","","","0.71073","MoKα","","0.0934","0.0441","","","0.0768","0.0907","","","","","","0.664","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4072339","13.368","0.005","14.468","0.005","17.283","0.005","113.805","0.005","91.394","0.005","110.625","0.005","2807.6","1.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","Compound 2","","","- C68 H48 B F20 N Zr -","- C68 H48 B F20 N Zr -","- C136 H96 B2 F40 N2 Zr2 -","2","1","","Wilson, Polly A.; Wright, Joseph A.; Oganesyan, Vasily S.; Lancaster, Simon J.; Bochmann, Manfred","Structural Characterization of a Cationic Zirconocene Dimethylaniline Complex and Related Catalytically Relevant Species","Organometallics","2008","27","23","6371","","10.1021/om800783h","","x-ray","0.71073","MoKα","","0.1569","0.0883","","","0.1419","0.1697","","","","","","1.147","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072340","13.045","0.002","12.697","0.002","26.825","0.005","90","","91.183","0.002","90","","4442.1","1.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 5","","","- C104 H52 B2 F42 Zr2 -","- C104 H52 B2 F42 Zr2 -","- C208 H104 B4 F84 Zr4 -","2","0.5","","Wilson, Polly A.; Wright, Joseph A.; Oganesyan, Vasily S.; Lancaster, Simon J.; Bochmann, Manfred","Structural Characterization of a Cationic Zirconocene Dimethylaniline Complex and Related Catalytically Relevant Species","Organometallics","2008","27","23","6371","","10.1021/om800783h","","","0.7977","synchrotron","","0.1135","0.0565","","","0.1047","0.1267","","","","","","0.959","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072341","10.2127","0.0008","13.5318","0.0014","16.5965","0.0015","81.864","0.008","83.95","0.007","81.446","0.007","2236.9","0.4","140","2","140","2","","","","","","","","6","P -1","-P 1","2","Compound 6","","","- C104 H52 B2 Cl2 F40 Zr2 -","- C104 H52 B2 Cl2 F40 Zr2 -","- C104 H52 B2 Cl2 F40 Zr2 -","1","0.5","","Wilson, Polly A.; Wright, Joseph A.; Oganesyan, Vasily S.; Lancaster, Simon J.; Bochmann, Manfred","Structural Characterization of a Cationic Zirconocene Dimethylaniline Complex and Related Catalytically Relevant Species","Organometallics","2008","27","23","6371","","10.1021/om800783h","","x-ray","0.71073","MoKα","","0.0986","0.0568","","","0.1138","0.1273","","","","","","0.989","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072342","17.885","0.002","13.8749","0.0014","21.482","0.003","90","","98.682","0.011","90","","5269.7","1.1","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 7","","","- C64 H48 B F15 Zr2 -","- C64 H45 B F15 Zr2 -","- C256 H180 B4 F60 Zr8 -","4","1","","Wilson, Polly A.; Wright, Joseph A.; Oganesyan, Vasily S.; Lancaster, Simon J.; Bochmann, Manfred","Structural Characterization of a Cationic Zirconocene Dimethylaniline Complex and Related Catalytically Relevant Species","Organometallics","2008","27","23","6371","","10.1021/om800783h","","x-ray","0.71073","MoKα","","0.197","0.0724","","","0.0858","0.109","","","","","","0.89","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072343","17.122","0.003","10.182","0.002","32.959","0.007","90","","90","","90","","5745.9","1.9","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C27 H39 Cl Co N3 O P2 -","- C216 H324 Cl8 Co8 N24 O8 P16 -","- C216 H324 Cl8 Co8 N24 O8 P16 -","1","0.25","","Wang, Aichen; Sun, Hongjian; Li, Xiaoyan","N-Assisted Carbon−Hydrogen Bond Activation by Cobalt(I) Complexes","Organometallics","2008","27","21","5434","","10.1021/om8007844","","","0.71073","MoKα","","0.114","0.0577","","","0.1333","0.1546","","","","","","0.853","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072344","8.834","0.0009","9.4939","0.001","18.3764","0.0019","84.975","0.002","78.725","0.002","88.533","0.002","1505.6","0.3","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C25 H33 Br2 Cl Co N3 O P2 -","- C25 H31 Br2 Cl Co N3 O P2 -","- C50 H62 Br4 Cl2 Co2 N6 O2 P4 -","2","1","","Wang, Aichen; Sun, Hongjian; Li, Xiaoyan","N-Assisted Carbon−Hydrogen Bond Activation by Cobalt(I) Complexes","Organometallics","2008","27","21","5434","","10.1021/om8007844","","","0.71073","MoKα","","0.1125","0.0463","","","0.1103","0.1507","","","","","","1.023","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072345","11.1122","0.0004","23.9375","0.0008","13.2156","0.0004","90","","104.732","0.002","90","","3399.8","0.2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H50 Co2 N2 O2 P4 -","- C26 H50 Co2 N2 O2 P4 -","- C104 H200 Co8 N8 O8 P16 -","4","1","","Wang, Aichen; Sun, Hongjian; Li, Xiaoyan","N-Assisted Carbon−Hydrogen Bond Activation by Cobalt(I) Complexes","Organometallics","2008","27","21","5434","","10.1021/om8007844","","","0.71073","MoKα","","0.0742","0.0408","","","0.0868","0.0987","","","","","","1.015","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072346","17.316","0.0004","9.1221","0.0003","17.9321","0.0006","90","","90","","90","","2832.52","0.15","123","2","123","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C19 H53 Li2 N7 Zn -","- C19 H53 Li2 N7 Zn -","- C76 H212 Li8 N28 Zn4 -","4","1","","Armstrong, David R.; Dougan, Christine; Graham, David V.; Hevia, Eva; Kennedy, Alan R.","Synthesis and Structural Elucidation of Alkyl, Amido, and Mixed Alkyl−Amido “Highly-Coordinated” Zincates","Organometallics","2008","27","23","6063","","10.1021/om800786n","","","0.71073","MoKα","","0.0903","0.0453","","","0.0723","0.0842","","","","","","1.01","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072347","17.156","0.002","11.9022","0.0008","18.1773","0.0015","90","","95.742","0.009","90","","3693.1","0.6","123","2","123","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H68 Li2 N10 Zn2 -","- C24 H68 Li2 N10 Zn2 -","- C96 H272 Li8 N40 Zn8 -","4","1","","Armstrong, David R.; Dougan, Christine; Graham, David V.; Hevia, Eva; Kennedy, Alan R.","Synthesis and Structural Elucidation of Alkyl, Amido, and Mixed Alkyl−Amido “Highly-Coordinated” Zincates","Organometallics","2008","27","23","6063","","10.1021/om800786n","","","0.71073","MoKα","","0.1901","0.086","","","0.1849","0.2103","","","","","","0.865","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072348","13.205","0.0004","14.9516","0.0005","12.0045","0.0003","90","","94.142","0.002","90","","2363.93","0.12","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H44 Li2 N4 Zn -","- C16 H44 Li2 N4 Zn -","- C64 H176 Li8 N16 Zn4 -","4","1","","Armstrong, David R.; Dougan, Christine; Graham, David V.; Hevia, Eva; Kennedy, Alan R.","Synthesis and Structural Elucidation of Alkyl, Amido, and Mixed Alkyl−Amido “Highly-Coordinated” Zincates","Organometallics","2008","27","23","6063","","10.1021/om800786n","","","0.71073","MoKα","","0.0764","0.0413","","","0.0834","0.0947","","","","","","1.076","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072349","21.327","0.004","20.487","0.006","26.1","0.007","90","","90","","90","","11404","5","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C58 H65 B F20 N P Ti -","- C58 H65 B F20 N P Ti -","- C464 H520 B8 F160 N8 P8 Ti8 -","8","1","","Friesen, Dawn M.; Piers, Warren E.; Parvez, Masood","Selective Catalytic Dimerization of Neohexene by [Cp*Ti(NPtBu3)Me][B(C6F5)4]","Organometallics","2008","27","24","6596","","10.1021/om800790d","","","0.71073","MoKα","","0.0929","0.0717","","","0.1746","0.1908","","","","","","1.034","","","","has coordinates,has disorder","301830","2025-08-20","13:17:20",""
"4072350","23.554","0.007","13.974","0.005","24.053","0.005","90","","118.863","0.015","90","","6933","4","123","2","123","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H87 B F20 N O P Ti -","- C68 H87 B F20 N O P Ti -","- C272 H348 B4 F80 N4 O4 P4 Ti4 -","4","1","","Friesen, Dawn M.; Piers, Warren E.; Parvez, Masood","Selective Catalytic Dimerization of Neohexene by [Cp*Ti(NPtBu3)Me][B(C6F5)4]","Organometallics","2008","27","24","6596","","10.1021/om800790d","","","0.71073","MoKα","","0.0908","0.0507","","","0.112","0.1344","","","","","","1.018","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072351","19.162","0.003","16.439","0.003","24.513","0.004","90","","110.692","0.01","90","","7224","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H65 Cl N P Ti -","- C34 H65 Cl N P Ti -","- C272 H520 Cl8 N8 P8 Ti8 -","8","1","","Friesen, Dawn M.; Piers, Warren E.; Parvez, Masood","Selective Catalytic Dimerization of Neohexene by [Cp*Ti(NPtBu3)Me][B(C6F5)4]","Organometallics","2008","27","24","6596","","10.1021/om800790d","","","0.71073","MoKα","","0.0689","0.043","","","0.096","0.1089","","","","","","1.037","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072352","12.23","0.02","8.46","0.015","23.49","0.04","90","","101.43","0.02","90","","2382","7","173","2","173","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C44 H52 Cu2 F6 N4 -","- C44 H52 Cu2 F6 N4 -","- C88 H104 Cu4 F12 N8 -","2","0.5","","Dubinina, Galyna G.; Ogikubo, Junichi; Vicic, David A.","Structure of Bis(trifluoromethyl)cuprate and Its Role in Trifluoromethylation Reactions","Organometallics","2008","27","23","6233","","10.1021/om800794m","","","0.71075","MoKα","","0.2065","0.0946","","","0.2139","0.2684","","","","","","1.043","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072353","12.1828","0.0002","9.7269","0.0002","18.0635","0.0003","90","","90","","90","","2140.54","0.07","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 N O2 Si -","- C10 H13 N O2 Si -","- C80 H104 N8 O16 Si8 -","8","1","","Wagler, Jörg; Hill, Anthony F.","Ring Opening of Organosilicon-Substituted Benzoxazolinone: A Convenient Route to Chelating Ureato and Carbamido Ligands","Organometallics","2008","27","24","6579","","10.1021/om800796z","","","0.71073","MoKα","","0.0449","0.0341","","","0.0909","0.095","","","","","","1.046","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072354","9.6245","0.0001","14.0115","0.0002","16.1647","0.0002","90","","100.99","0.001","90","","2139.89","0.05","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 N2 O4 Si -","- C26 H18 N2 O4 Si -","- C104 H72 N8 O16 Si4 -","4","1","","Wagler, Jörg; Hill, Anthony F.","Ring Opening of Organosilicon-Substituted Benzoxazolinone: A Convenient Route to Chelating Ureato and Carbamido Ligands","Organometallics","2008","27","24","6579","","10.1021/om800796z","","","0.71073","MoKα","","0.0646","0.0423","","","0.1109","0.1191","","","","","","1.061","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072355","7.3257","0.0002","13.6736","0.0004","14.8738","0.0004","90","","90","","90","","1489.89","0.07","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O4 Si -","- C16 H14 N2 O4 Si -","- C64 H56 N8 O16 Si4 -","4","1","","Wagler, Jörg; Hill, Anthony F.","Ring Opening of Organosilicon-Substituted Benzoxazolinone: A Convenient Route to Chelating Ureato and Carbamido Ligands","Organometallics","2008","27","24","6579","","10.1021/om800796z","","","0.71073","MoKα","","0.0439","0.0345","","","0.0834","0.0873","","","","","","1.06","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072356","9.8419","0.0001","12.6734","0.0003","13.8628","0.0002","85.201","0.001","75.716","0.001","87.212","0.001","1669.08","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H28 N4 O8 Si -","- C40 H28 N4 O8 Si -","- C80 H56 N8 O16 Si2 -","2","1","","Wagler, Jörg; Hill, Anthony F.","Ring Opening of Organosilicon-Substituted Benzoxazolinone: A Convenient Route to Chelating Ureato and Carbamido Ligands","Organometallics","2008","27","24","6579","","10.1021/om800796z","","","0.71073","MoKα","","0.0643","0.0433","","","0.1082","0.1156","","","","","","1.054","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072357","7.2892","0.0001","9.8847","0.0002","18.3983","0.0004","90","","98.578","0.001","90","","1310.8","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N3 O2 Si -","- C13 H15 N3 O2 Si -","- C52 H60 N12 O8 Si4 -","4","1","","Wagler, Jörg; Hill, Anthony F.","Ring Opening of Organosilicon-Substituted Benzoxazolinone: A Convenient Route to Chelating Ureato and Carbamido Ligands","Organometallics","2008","27","24","6579","","10.1021/om800796z","","","0.71073","MoKα","","0.0481","0.0352","","","0.0953","0.1011","","","","","","1.053","","","","has coordinates","301830","2025-08-20","13:17:20",""
"4072358","23.1498","0.0007","6.4984","0.0002","24.0295","0.0007","90","","114.71","0.001","90","","3283.92","0.17","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 N2 O4 Si -","- C17 H18 N2 O4 Si -","- C136 H144 N16 O32 Si8 -","8","1","","Wagler, Jörg; Hill, Anthony F.","Ring Opening of Organosilicon-Substituted Benzoxazolinone: A Convenient Route to Chelating Ureato and Carbamido Ligands","Organometallics","2008","27","24","6579","","10.1021/om800796z","","","0.71073","MoKα","","0.0635","0.0424","","","0.1029","0.1105","","","","","","1.06","","","","has coordinates","301830","2025-08-20","13:17:21",""
"4072359","12.0673","0.0002","12.6067","0.0002","10.8886","0.0002","90","","90.118","0.001","90","","1656.47","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N3 O2 Si -","- C15 H21 N3 O2 Si -","- C60 H84 N12 O8 Si4 -","4","1","","Wagler, Jörg; Hill, Anthony F.","Ring Opening of Organosilicon-Substituted Benzoxazolinone: A Convenient Route to Chelating Ureato and Carbamido Ligands","Organometallics","2008","27","24","6579","","10.1021/om800796z","","","0.71073","MoKα","","0.0604","0.04","","","0.0993","0.1061","","","","","","1.041","","","","has coordinates","301830","2025-08-20","13:17:21",""
"4072360","12.2364","0.0006","13.4662","0.0006","6.1023","0.0003","90","","97.017","0.002","90","","997.99","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C44 H44 N12 O8 -","4","1","","Wagler, Jörg; Hill, Anthony F.","Ring Opening of Organosilicon-Substituted Benzoxazolinone: A Convenient Route to Chelating Ureato and Carbamido Ligands","Organometallics","2008","27","24","6579","","10.1021/om800796z","","","0.71073","MoKα","","0.06","0.0418","","","0.0983","0.1045","","","","","","1.058","","","","has coordinates","301830","2025-08-20","13:17:21",""
"4072361","17.4537","0.0007","16.9011","0.0005","9.6894","0.0004","90","","123.441","0.002","90","","2385.07","0.16","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H13 N4 Ni O2.5 -","- C11 H13 N4 Ni O2.5 -","- C88 H104 N32 Ni8 O20 -","8","1","","Wagler, Jörg; Hill, Anthony F.","Ring Opening of Organosilicon-Substituted Benzoxazolinone: A Convenient Route to Chelating Ureato and Carbamido Ligands","Organometallics","2008","27","24","6579","","10.1021/om800796z","","","0.71073","MoKα","","0.0383","0.0304","","","0.0796","0.0827","","","","","","1.077","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072362","9.4184","0.0001","14.4888","0.0002","18.2332","0.0003","90","","93.932","0.001","90","","2482.27","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27.5 N6 Ni O3.75 -","- C26 H27.5 N6 Ni O3.75 -","- C104 H110 N24 Ni4 O15 -","4","1","","Wagler, Jörg; Hill, Anthony F.","Ring Opening of Organosilicon-Substituted Benzoxazolinone: A Convenient Route to Chelating Ureato and Carbamido Ligands","Organometallics","2008","27","24","6579","","10.1021/om800796z","","","0.71073","MoKα","","0.0409","0.0305","","","0.0737","0.0774","","","","","","1.055","","","","has coordinates","301830","2025-08-20","13:17:21",""
"4072363","6.96","0.0001","12.4871","0.0003","9.3214","0.0002","90","","104.732","0.002","90","","783.49","0.03","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H20 N6 Ni O4 -","- C14 H20 N6 Ni O4 -","- C28 H40 N12 Ni2 O8 -","2","0.5","","Wagler, Jörg; Hill, Anthony F.","Ring Opening of Organosilicon-Substituted Benzoxazolinone: A Convenient Route to Chelating Ureato and Carbamido Ligands","Organometallics","2008","27","24","6579","","10.1021/om800796z","","","0.71073","MoKα","","0.0466","0.0318","","","0.0736","0.0781","","","","","","1.057","","","","has coordinates","301830","2025-08-20","13:17:21",""
"4072364","15.0974","0.0003","11.6399","0.0003","23.4817","0.0005","90","","103.043","0.001","90","","4020.03","0.16","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N3 O2 Si -","- C24 H21 N3 O2 Si -","- C192 H168 N24 O16 Si8 -","8","2","","Wagler, Jörg; Hill, Anthony F.","Ring Opening of Organosilicon-Substituted Benzoxazolinone: A Convenient Route to Chelating Ureato and Carbamido Ligands","Organometallics","2008","27","24","6579","","10.1021/om800796z","","","0.71073","MoKα","","0.0565","0.0398","","","0.0977","0.1036","","","","","","1.049","","","","has coordinates","301830","2025-08-20","13:17:21",""
"4072365","12.4102","0.0011","13.6661","0.0013","15.9836","0.0015","95.656","0.002","108.915","0.002","109.094","0.002","2359","0.4","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H41 Br2 N4 O3 Sc -","- C44 H41 Br2 N4 O3 Sc -","- C88 H82 Br4 N8 O6 Sc2 -","2","1","","Lv, Kui; Cui, Dongmei","Tridentate CCC-Pincer Bis(carbene)-Ligated Rare-Earth Metal Dibromides. Synthesis and Characterization","Organometallics","2008","27","21","5438","","10.1021/om800801k","","","0.71073","MoKα","","0.1664","0.0916","","","0.2765","0.3227","","","","","","1.039","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072366","12.5889","0.0008","13.6491","0.0008","15.9722","0.001","95.998","0.001","108.746","0.001","108.725","0.001","2394.4","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H41 Br2 Lu N4 O3 -","- C44 H41 Br2 Lu N4 O3 -","- C88 H82 Br4 Lu2 N8 O6 -","2","1","","Lv, Kui; Cui, Dongmei","Tridentate CCC-Pincer Bis(carbene)-Ligated Rare-Earth Metal Dibromides. Synthesis and Characterization","Organometallics","2008","27","21","5438","","10.1021/om800801k","","","0.71073","MoKα","","0.0663","0.0534","","","0.166","0.1756","","","","","","1.059","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072367","12.7112","0.0009","13.6559","0.001","16.0694","0.0012","96.391","0.001","108.324","0.001","108.478","0.001","2441.5","0.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H41 Br2 N4 O3 Sm -","- C42.5 H41 Br2 N4 O2.5 Sm -","- C85 H82 Br4 N8 O5 Sm2 -","2","1","","Lv, Kui; Cui, Dongmei","Tridentate CCC-Pincer Bis(carbene)-Ligated Rare-Earth Metal Dibromides. Synthesis and Characterization","Organometallics","2008","27","21","5438","","10.1021/om800801k","","","0.71073","MoKα","","0.0727","0.0603","","","0.1986","0.2092","","","","","","1.137","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072368","28.7036","0.0016","11.0886","0.0005","23.9109","0.0015","90","","120.345","0.003","90","","6567.8","0.7","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H17 B Fe -","- C22 H17 B Fe -","- C352 H272 B16 Fe16 -","16","2","","Kaufmann, Linda; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","9-Ferrocenyl-9-borafluoreneA Redox-Switchable Main Group Lewis Acid","Organometallics","2008","27","23","6215","","10.1021/om800803f","","","0.71073","MoKα","","0.0562","0.0367","","","0.0763","0.0818","","","","","","0.988","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072369","9.7741","0.0012","7.6859","0.0012","25.183","0.003","90","","92.787","0.01","90","","1889.6","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 B2 F4 Fe -","- C22 H17 B2 F4 Fe -","- C88 H68 B8 F16 Fe4 -","4","1","","Kaufmann, Linda; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","9-Ferrocenyl-9-borafluoreneA Redox-Switchable Main Group Lewis Acid","Organometallics","2008","27","23","6215","","10.1021/om800803f","","","0.71073","MoKα","","0.1679","0.0866","","","0.2076","0.2516","","","","","","0.853","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072370","12.4839","0.0007","11.3114","0.0004","15.0039","0.0007","90","","97.82","0.004","90","","2099","0.17","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H22 B Fe N O -","- C27 H22 B Fe N O -","- C108 H88 B4 Fe4 N4 O4 -","4","1","","Kaufmann, Linda; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","9-Ferrocenyl-9-borafluoreneA Redox-Switchable Main Group Lewis Acid","Organometallics","2008","27","23","6215","","10.1021/om800803f","","","0.71073","MoKα","","0.0387","0.0306","","","0.0753","0.0782","","","","","","1.031","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072371","8.8567","0.0009","12.9851","0.0018","13.531","0.0014","78.523","0.01","80.93","0.008","82.496","0.01","1498","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H74 B2 Fe3 Li O8 -","- C70 H74 B2 Fe3 Li O8 -","- C70 H74 B2 Fe3 Li O8 -","1","0.5","","Kaufmann, Linda; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","9-Ferrocenyl-9-borafluoreneA Redox-Switchable Main Group Lewis Acid","Organometallics","2008","27","23","6215","","10.1021/om800803f","","","0.71073","MoKα","","0.1192","0.0575","","","0.1008","0.1199","","","","","","0.945","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072372","5.4887","0.0004","15.0318","0.0008","25.0114","0.0019","90","","90.253","0.006","90","","2063.5","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 B O -","- C13 H11 B O -","- C104 H88 B8 O8 -","8","2","","Kaufmann, Linda; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","9-Ferrocenyl-9-borafluoreneA Redox-Switchable Main Group Lewis Acid","Organometallics","2008","27","23","6215","","10.1021/om800803f","","","0.71073","MoKα","","0.0573","0.0391","","","0.0983","0.1048","","","","","","0.989","","","","has coordinates","301830","2025-08-20","13:17:21",""
"4072373","20.523","0.003","17.4242","0.0018","7.418","0.0013","90","","95.576","0.013","90","","2640.1","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 B -","- C18 H13 B -","- C144 H104 B8 -","8","2","","Kaufmann, Linda; Vitze, Hannes; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias","9-Ferrocenyl-9-borafluoreneA Redox-Switchable Main Group Lewis Acid","Organometallics","2008","27","23","6215","","10.1021/om800803f","","","0.71073","MoKα","","0.1949","0.1406","","","0.3044","0.3277","","","","","","1.127","","","","has coordinates","301830","2025-08-20","13:17:21",""
"4072374","9.921","0.002","13.999","0.003","17.112","0.003","90","","99.4","0.03","90","","2344.7","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H40 Cl P Pd -","- C22 H40 Cl P Pd -","- C88 H160 Cl4 P4 Pd4 -","4","1","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.0728","0.0434","","","0.0736","0.0815","","","","","","1.028","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072375","10.066","0.002","17.197","0.003","20.344","0.004","113.47","0.03","100.95","0.03","90.12","0.03","3159.6","1.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H52 B F4 N2 P Pd -","- C29 H52 B F4 N2 P Pd -","- C116 H208 B4 F16 N8 P4 Pd4 -","4","2","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.0404","0.0331","","","0.0775","0.081","","","","","","1.034","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072376","8.186","0.0016","10.01","0.002","17.12","0.003","79.21","0.03","86.43","0.03","67.5","0.03","1273.1","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H42 Cl P Pd -","- C27 H42 Cl P Pd -","- C54 H84 Cl2 P2 Pd2 -","2","1","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.0293","0.0261","","","0.0619","0.0635","","","","","","1.028","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072377","20.107","0.005","8.448","0.005","14.16","0.005","90","0.005","99.575","0.005","90","0.005","2371.8","1.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H17 Cl N2 Pd -","- C10 H17 Cl N2 Pd -","- C80 H136 Cl8 N16 Pd8 -","8","1","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71069","MoKα","","0.032","0.0275","","","0.0673","0.0697","","","","","","1.039","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072378","11.025","0.002","16.891","0.003","18.152","0.004","69.33","0.03","81.22","0.03","79.61","0.03","3096.3","1.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H50 B F4 N2 P Pd -","- C28 H50 B F4 N2 P Pd -","- C112 H200 B4 F16 N8 P4 Pd4 -","4","2","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.0706","0.0419","","","0.0831","0.0934","","","","","","1.038","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072379","16.804","0.0003","8.897","0.0002","18.902","0.0004","90","","105.072","0.002","90","","2728.73","0.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","kjc0723","","","- C28 H32 B F4 N2 P Pd -","- C28 H32 B F4 N2 P Pd -","- C112 H128 B4 F16 N8 P4 Pd4 -","4","1","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.0701","0.0458","","","0.1061","0.1175","","","","","","1.035","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072380","11.019","0.0002","17.662","0.0004","15.607","0.0003","90","","101.556","0.001","90","","2975.83","0.1","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","kjc0722","","","- C31 H38 B F4 N2 P Pd -","- C31 H38 B F4 N2 P Pd -","- C124 H152 B4 F16 N8 P4 Pd4 -","4","1","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.0687","0.0463","","","0.1064","0.1168","","","","","","1.04","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072381","13.609","0.0002","11.773","0.0003","15.122","0.0003","90","","110.004","0.001","90","","2276.66","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","kjc0721","","","- C21 H38 I P Pd -","- C21 H38 I P Pd -","- C84 H152 I4 P4 Pd4 -","4","1","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.0461","0.0344","","","0.0739","0.0784","","","","","","1.055","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072382","23.531","0.003","23.531","0.003","9.3592","0.0019","90","","90","","90","","5182.3","1.4","150","2","150","2","","","","","","","","7","P -4 21 c","P -4 2n","114","","","","- C23 H41 B F4 N P Pd -","- C23 H41 B F4 N P Pd -","- C184 H328 B8 F32 N8 P8 Pd8 -","8","1","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.025","0.0224","","","0.0489","0.0499","","","","","","1.022","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072383","11.476","0.0002","10.767","0.0002","12.971","0.0002","90","","90","","90","","1602.72","0.05","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","kjc0720","","","- C14 H25 Cl N2 Pd -","- C14 H25 Cl N2 Pd -","- C56 H100 Cl4 N8 Pd4 -","4","1","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.0385","0.0352","","","0.0964","0.0978","","","","","","1.144","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072384","10.9411","0.0001","19.7725","0.0002","17.8474","0.0002","90","","93.8024","0.0005","90","","3852.48","0.07","150","","150","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C24 H42.67 B0.67 F2.67 N1.33 O0.67 P0.67 Pd0.67 -","- C24 H42.6667 B0.666667 F2.66667 N1.33333 O0.666667 P0.666667 Pd0.666667 -","- C144 H256 B4 F16 N8 O4 P4 Pd4 -","6","1.5","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.0471","0.0353","","0.0913","0.0864","0.0913","","","","","","0.9583","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072385","17.938","0.0002","11.256","0.0003","18.367","0.0004","90","","90","","90","","3708.48","0.13","150","2","150","2","","","","","","","","8","P n a 21","P 2c -2n","33","kjc0702","","","- C35 H45 B F4 N2 O3 P Pd -","- C35 H45 B F4 N2 O3 P Pd -","- C140 H180 B4 F16 N8 O12 P4 Pd4 -","4","1","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.0844","0.0593","","","0.1036","0.1105","","","","","","1.074","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072386","15.22","0.0003","12.327","0.0003","19.148","0.0005","90","","90","","90","","3592.49","0.15","150","2","150","2","","","","","","","","7","P n a 21","P 2c -2n","33","kjc0701","","","- C33 H60 B F4 N2 P Pd -","- C33 H60 B F4 N2 P Pd -","- C132 H240 B4 F16 N8 P4 Pd4 -","4","1","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.0695","0.0534","","","0.1289","0.145","","","","","","1.046","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072387","8.1831","0.0002","16.9422","0.0005","18.5709","0.0006","90","","90","","90","","2574.66","0.13","150","","150","","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H42 B F4 N2 P Pd -","- C21 H42 B F4 N2 P Pd -","- C84 H168 B4 F16 N8 P4 Pd4 -","4","1","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.088","0.0635","","0.1556","0.1421","0.1556","","","","","","0.8947","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072388","10.854","0.002","15.446","0.003","12.618","0.003","90","","107.6","0.03","90","","2016.4","0.8","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 Cl N2 Pd -","- C20 H29 Cl N2 Pd -","- C80 H116 Cl4 N8 Pd4 -","4","1","","Normand, Adrien T.; Stasch, Andreas; Ooi, Li-Ling; Cavell, Kingsley J.","Design of Cationic Mixed Phosphine/N-Heterocyclic Carbene Palladium(II) π-Allyl Complexes as Monoligated Phosphine Pd(0) Precatalysts: Synthesis, Structural Studies, Catalysis, and Reactivity","Organometallics","2008","27","24","6507","","10.1021/om8008052","","","0.71073","MoKα","","0.0306","0.0261","","","0.0607","0.0628","","","","","","1.039","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072389","10.4817","0.0002","30.2472","0.0009","16.7978","0.0005","90","","98.561","0.002","90","","5266.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31.5 H29 B2 Cl N6 -","- C31.5 H29 B2 Cl N6 -","- C252 H232 B16 Cl8 N48 -","8","2","","Cade, Ian A.; Hill, Anthony F.; Wagler, Jörg","Diels−Alder Dimerization of a Boracyclohexadiene","Organometallics","2008","27","19","4844","","10.1021/om800814n","","","0.71073","MoKα","","0.1048","0.0546","","","0.1157","0.1295","","","","","","1.064","","","","has coordinates,has disorder","304654","2026-02-27","09:09:30",""
"4072390","9.468","0.003","10.102","0.003","20.072","0.006","92.682","0.005","102.986","0.005","97.859","0.005","1847.1","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40.5 H58 Mo N4 -","- C40.5 H58 Mo N4 -","- C81 H116 Mo2 N8 -","2","1","","Marinescu, Smaranda C.; Singh, Rojendra; Hock, Adam S.; Wampler, Keith M.; Schrock, Richard R.; Müller, Peter","Syntheses and Structures of Molybdenum Imido Alkylidene Pyrrolide and Indolide Complexes","Organometallics","2008","27","24","6570","","10.1021/om800816q","","","0.71073","MoKα","","0.0612","0.0494","","","0.0965","0.1029","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4072391","14.0969","0.0007","17.7008","0.0009","14.2302","0.0007","90","","106.634","0.001","90","","3402.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H53 Mo N3 -","- C38 H53 Mo N3 -","- C152 H212 Mo4 N12 -","4","1","","Marinescu, Smaranda C.; Singh, Rojendra; Hock, Adam S.; Wampler, Keith M.; Schrock, Richard R.; Müller, Peter","Syntheses and Structures of Molybdenum Imido Alkylidene Pyrrolide and Indolide Complexes","Organometallics","2008","27","24","6570","","10.1021/om800816q","","","0.71073","MoKα","","0.0345","0.0294","","","0.071","0.0747","","","","","","1.048","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072392","9.8591","0.0011","12.2228","0.0014","17.486","0.002","90.304","0.002","102.933","0.002","110.709","0.002","1912.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H61 Mo N3 -","- C42 H61 Mo N3 -","- C84 H122 Mo2 N6 -","2","1","","Marinescu, Smaranda C.; Singh, Rojendra; Hock, Adam S.; Wampler, Keith M.; Schrock, Richard R.; Müller, Peter","Syntheses and Structures of Molybdenum Imido Alkylidene Pyrrolide and Indolide Complexes","Organometallics","2008","27","24","6570","","10.1021/om800816q","","","0.71073","MoKα","","0.0321","0.0282","","","0.0691","0.0718","","","","","","1.034","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072393","10.4441","0.0007","21.2061","0.0014","18.0345","0.0012","90","","101.269","0.001","90","","3917.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H51 Mo N3 -","- C49 H51 Mo N3 -","- C196 H204 Mo4 N12 -","4","1","","Marinescu, Smaranda C.; Singh, Rojendra; Hock, Adam S.; Wampler, Keith M.; Schrock, Richard R.; Müller, Peter","Syntheses and Structures of Molybdenum Imido Alkylidene Pyrrolide and Indolide Complexes","Organometallics","2008","27","24","6570","","10.1021/om800816q","","","0.71073","MoKα","","0.0317","0.0282","","","0.1101","0.1174","","","","","","1.028","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072394","9.6278","0.0005","11.405","0.0006","17.323","0.001","86.603","0.001","81.86","0.001","84.473","0.001","1872.23","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Mo(NAr)(CHCMe2Ph)(ind)2","","","- C45 H49 Mo N3 -","- C45 H49 Mo N3 -","- C90 H98 Mo2 N6 -","2","1","","Marinescu, Smaranda C.; Singh, Rojendra; Hock, Adam S.; Wampler, Keith M.; Schrock, Richard R.; Müller, Peter","Syntheses and Structures of Molybdenum Imido Alkylidene Pyrrolide and Indolide Complexes","Organometallics","2008","27","24","6570","","10.1021/om800816q","","","0.71073","MoKα","","0.0255","0.0234","","","0.0633","0.0685","","","","","","1.085","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072395","11.3552","0.0004","11.7692","0.0003","26.8328","0.0009","91.991","0.001","100.045","0.001","94.946","0.001","3513.33","0.19","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H52 Mo N3 P -","- C38 H52 Mo N3 P -","- C152 H208 Mo4 N12 P4 -","4","2","","Marinescu, Smaranda C.; Singh, Rojendra; Hock, Adam S.; Wampler, Keith M.; Schrock, Richard R.; Müller, Peter","Syntheses and Structures of Molybdenum Imido Alkylidene Pyrrolide and Indolide Complexes","Organometallics","2008","27","24","6570","","10.1021/om800816q","","","0.71073","MoKα","","0.0466","0.0324","","","0.0723","0.0785","","","","","","1.032","","","","has coordinates,has disorder","178612","2020-10-21","18:00:00",""
"4072396","13.7643","0.0011","16.5149","0.0013","18.7349","0.0015","90","","90","","90","","4258.7","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C45 H53 F6 Mo N2 O P -","- C45 H53 F6 Mo N2 O P -","- C180 H212 F24 Mo4 N8 O4 P4 -","4","1","","Marinescu, Smaranda C.; Singh, Rojendra; Hock, Adam S.; Wampler, Keith M.; Schrock, Richard R.; Müller, Peter","Syntheses and Structures of Molybdenum Imido Alkylidene Pyrrolide and Indolide Complexes","Organometallics","2008","27","24","6570","","10.1021/om800816q","","","0.71073","MoKα","","0.0373","0.031","","","0.0649","0.0683","","","","","","1.028","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072397","14.55","0.003","15.3","0.003","34.447","0.007","90","","90","","90","","7668","3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","complex 3b","","","- C45 H50 Fe P2 -","- C45 H50 Fe P2 -","- C360 H400 Fe8 P16 -","8","2","","Takita, Ryo; Takada, Yuko; Jensen, Rader S.; Okazaki, Masaaki; Ozawa, Fumiyuki","Synthesis and Ligand Properties of 1-Phosphaethenyl-2-phosphanylferrocenes","Organometallics","2008","27","23","6279","","10.1021/om8008316","","","0.7107","MoKα","","0.0905","0.0659","","","0.1383","0.1531","","","","","","1.049","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072398","10.4639","0.0001","17.2101","0.0002","25.5495","0.0003","90","","90","","90","","4601.08","0.09","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","complex 4b","","","- C51 H66 Fe O P2 Pt -","- C51 H66 Fe O P2 Pt -","- C204 H264 Fe4 O4 P8 Pt4 -","4","1","","Takita, Ryo; Takada, Yuko; Jensen, Rader S.; Okazaki, Masaaki; Ozawa, Fumiyuki","Synthesis and Ligand Properties of 1-Phosphaethenyl-2-phosphanylferrocenes","Organometallics","2008","27","23","6279","","10.1021/om8008316","","","0.71069","MoKα","","0.0348","0.0287","","","0.0665","0.0688","","","","","","1.003","","","","has coordinates","178612","2020-10-21","18:00:00",""
"4072399","17.892","0.004","18.938","0.004","25.108","0.005","90","","94.27","0.03","90","","8484","3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H66 Si11 -","- C22 H66 Si11 -","- C176 H528 Si88 -","8","2","","Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph","Synthesis of Cyclic and Bicyclic Polysilanes of Variable Ring Sizes","Organometallics","2008","27","24","6472","","10.1021/om800842p","","","0.71073","MoKα","","0.1408","0.0624","","","0.1232","0.151","","","","","","0.94","","","","has coordinates","301830","2025-08-20","13:17:21",""
"4072400","10.329","0.002","15.447","0.003","31.058","0.006","90","","90","","90","","4955.4","1.7","200","2","200","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- C30 H72 O Si12 -","- C30 H72 O Si12 -","- C120 H288 O4 Si48 -","4","0.25","","Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph","Synthesis of Cyclic and Bicyclic Polysilanes of Variable Ring Sizes","Organometallics","2008","27","24","6472","","10.1021/om800842p","","","0.71073","MoKα","","0.0926","0.0838","","","0.1703","0.1746","","","","","","1.309","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072401","22.842","0.005","16.013","0.003","26.748","0.005","90","","109.36","0.03","90","","9230","4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H72 Si12 -","- C24 H72 Si12 -","- C192 H576 Si96 -","8","2","","Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph","Synthesis of Cyclic and Bicyclic Polysilanes of Variable Ring Sizes","Organometallics","2008","27","24","6472","","10.1021/om800842p","","","0.71073","MoKα","","0.1871","0.1487","","","0.285","0.3076","","","","","","1.094","","","","has coordinates","301830","2025-08-20","13:17:21",""
"4072402","18.509","0.004","21.689","0.004","19.166","0.004","90","","114.73","0.03","90","","6988","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H54 Si10 -","- C18 H52.5 Si10 -","- C144 H420 Si80 -","8","2","","Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph","Synthesis of Cyclic and Bicyclic Polysilanes of Variable Ring Sizes","Organometallics","2008","27","24","6472","","10.1021/om800842p","","","0.71073","MoKα","","0.1257","0.0993","","","0.1772","0.1874","","","","","","1.3","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4072403","11.201","0.0005","17.6163","0.0008","16.7825","0.0008","90","","94.928","0.001","90","","3299.3","0.3","297","2","297","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 2a.solv (L-585-4c, 967mp)","","","- C29 H42 B Ir N6 O2 -","- C29 H42 B Ir N6 O2 -","- C116 H168 B4 Ir4 N24 O8 -","4","1","","Paneque, Margarita; Poveda, Manuel L.; Santos, Laura L.; Carmona, Ernesto; Mereiter, Kurt","Generation of Metallacyclic Structures from the Reactions of Vinyl Ethers with a TpMe2IrIIICompound","Organometallics","2008","27","23","6353","","10.1021/om800844x","","","0.71073","MoKα","","0.0262","0.0195","","","0.0493","0.0509","","","","","","1.033","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072404","8.0223","0.0004","13.1372","0.0006","13.2581","0.0006","97.23","0.001","94.549","0.001","96.359","0.001","1371.46","0.11","173","2","173","2","","","","","","","","6","P -1","-P 1","2","compound 3b (L-425-6, 850 mp)","","","- C25 H40 B Ir N6 O2 -","- C25 H40 B Ir N6 O2 -","- C50 H80 B2 Ir2 N12 O4 -","2","1","","Paneque, Margarita; Poveda, Manuel L.; Santos, Laura L.; Carmona, Ernesto; Mereiter, Kurt","Generation of Metallacyclic Structures from the Reactions of Vinyl Ethers with a TpMe2IrIIICompound","Organometallics","2008","27","23","6353","","10.1021/om800844x","","","0.71073","MoKα","","0.0232","0.021","","","0.049","0.0497","","","","","","1.057","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072405","8.0575","0.0004","20.3891","0.0011","16.4221","0.0009","90","","104.086","0.001","90","","2616.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 4a (L-585-1, 978)","","","- C27 H36 B Ir N6 O -","- C27 H36 B Ir N6 O -","- C108 H144 B4 Ir4 N24 O4 -","4","1","","Paneque, Margarita; Poveda, Manuel L.; Santos, Laura L.; Carmona, Ernesto; Mereiter, Kurt","Generation of Metallacyclic Structures from the Reactions of Vinyl Ethers with a TpMe2IrIIICompound","Organometallics","2008","27","23","6353","","10.1021/om800844x","","","0.71073","MoKα","","0.0251","0.0217","","","0.0442","0.0452","","","","","","1.126","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072406","14.31","0.004","11.988","0.005","15.352","0.007","90","","102.12","0.03","90","","2574.9","1.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(2-di-iso-propylphosphinophenyl)phosphidepalladiumchloride","","- C24 H36 Cl P3 Pd -","- C24 H36 Cl P3 Pd -","- C96 H144 Cl4 P12 Pd4 -","4","1","","Mazzeo, Mina; Lamberti, Marina; Massa, Antonio; Scettri, Arrigo; Pellecchia, Claudio; Peters, Jonas C.","Phosphido Pincer Complexes of Palladium as New Efficient Catalysts for Allylation of Aldehydes","Organometallics","2008","27","22","5741","","10.1021/om8008537","","","0.71073","MoKα","","0.0895","0.0469","","","0.0866","0.0961","","","","","","1.209","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072407","19.6359","0.0016","19.7648","0.0017","22.712","0.0019","90","","90","","90","","8814.5","1.3","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C84 H124 B2 F2 N2 -","- C84 H120 B2 F2 N2 -","- C336 H480 B8 F8 N8 -","4","0.5","","Zhao, Shu-Bin; Wucher, Philipp; Hudson, Zachary M.; McCormick, Theresa M.; Liu, Xiang-Yang; Wang, Suning; Feng, Xiao-Dong; Lu, Zheng-Hong","Impact of the Linker on the Electronic and Luminescent Properties of Diboryl Compounds: Molecules with Two BMes2Groups and the Peculiar Behavior of 1,6-(BMes2)2pyrene","Organometallics","2008","27","24","6446","","10.1021/om800856g","","","0.71073","MoKα","","0.2211","0.0789","","","0.2236","0.2839","","","","","","0.87","","","","has coordinates,has disorder","178613","2020-10-21","18:00:00",""
"4072408","8.567","0.0009","11.2119","0.0012","13.7498","0.0015","98.642","0.001","103.914","0.001","98.317","0.001","1244.7","0.2","453","2","453","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H31 B -","- C34 H31 B -","- C68 H62 B2 -","2","1","","Zhao, Shu-Bin; Wucher, Philipp; Hudson, Zachary M.; McCormick, Theresa M.; Liu, Xiang-Yang; Wang, Suning; Feng, Xiao-Dong; Lu, Zheng-Hong","Impact of the Linker on the Electronic and Luminescent Properties of Diboryl Compounds: Molecules with Two BMes2Groups and the Peculiar Behavior of 1,6-(BMes2)2pyrene","Organometallics","2008","27","24","6446","","10.1021/om800856g","","","0.71073","MoKα","","0.0949","0.0538","","","0.1346","0.1552","","","","","","1.034","","","","has coordinates","301830","2025-08-20","13:17:21",""
"4072409","13.0386","0.001","14.1669","0.0011","14.6777","0.0011","67.266","0.001","87.495","0.001","80.888","0.001","2468.6","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H62 B2 Si -","- C60 H62 B2 Si -","- C120 H124 B4 Si2 -","2","1","","Zhao, Shu-Bin; Wucher, Philipp; Hudson, Zachary M.; McCormick, Theresa M.; Liu, Xiang-Yang; Wang, Suning; Feng, Xiao-Dong; Lu, Zheng-Hong","Impact of the Linker on the Electronic and Luminescent Properties of Diboryl Compounds: Molecules with Two BMes2Groups and the Peculiar Behavior of 1,6-(BMes2)2pyrene","Organometallics","2008","27","24","6446","","10.1021/om800856g","","","0.71073","MoKα","","0.0897","0.0522","","","0.1222","0.141","","","","","","1.03","","","","has coordinates","301830","2025-08-20","13:17:21",""
"4072410","18.9303","0.0013","23.0165","0.0015","19.0849","0.0013","90","","90","","90","","8315.5","1","453","2","453","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H63 B F N -","- C45 H63 B F N -","- C360 H504 B8 F8 N8 -","8","1","","Zhao, Shu-Bin; Wucher, Philipp; Hudson, Zachary M.; McCormick, Theresa M.; Liu, Xiang-Yang; Wang, Suning; Feng, Xiao-Dong; Lu, Zheng-Hong","Impact of the Linker on the Electronic and Luminescent Properties of Diboryl Compounds: Molecules with Two BMes2Groups and the Peculiar Behavior of 1,6-(BMes2)2pyrene","Organometallics","2008","27","24","6446","","10.1021/om800856g","","","0.71073","MoKα","","0.0583","0.0465","","","0.1228","0.1337","","","","","","1.033","","","","has coordinates,has disorder","178613","2020-10-21","18:00:00",""
"4072411","10.139","0.003","19.718","0.005","18.652","0.005","90","","92.459","0.004","90","","3725.5","1.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H61 B F4 O P4 Ru -","- C27 H61 B F4 O P4 Ru -","- C108 H244 B4 F16 O4 P16 Ru4 -","4","1","","Field, Leslie D.; Magill, Alison M.; Jensen, Paul","Butenynyl and Vinylidene Complexes of Ruthenium","Organometallics","2008","27","24","6539","","10.1021/om800861g","","","0.71073","MoKα","","0.0269","0.0233","","","0.0603","0.0631","","","","","","1.035","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4072412","9.8335","0.0007","15.5702","0.0011","16.4684","0.0012","90","","90","","90","","2521.5","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H39 B F4 P4 Ru -","- C16 H39 B F4 P4 Ru -","- C64 H156 B4 F16 P16 Ru4 -","4","1","","Field, Leslie D.; Magill, Alison M.; Jensen, Paul","Butenynyl and Vinylidene Complexes of Ruthenium","Organometallics","2008","27","24","6539","","10.1021/om800861g","","","0.71073","MoKα","","0.0227","0.0211","","","0.0504","0.0512","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4072413","10.7872","0.0002","9.4647","0.0003","12.7521","0.0003","90","","110.547","0.0015","90","","1219.13","0.05","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H14 Br N -","- C13 H14 Br N -","- C52 H56 Br4 N4 -","4","1","","Tan, Runyu; Jia, Peng; Rao, Yingli; Jia, Wenli; Hadzovic, Alen; Yu, Qing; Li, Xia; Song, Datong","Diplatinum Complexes Supported by Novel Tetradentate Ligands with Quinoline Functionalities for Tandem C−Cl Activation and Dearomatization","Organometallics","2008","27","24","6614","","10.1021/om800893r","","","0.71073","MoKα","","0.0436","0.0381","","","0.0913","0.0952","","","","","","1.049","","","","has coordinates","301830","2025-08-20","13:17:21",""
"4072414","4.4543","0.0004","11.6713","0.0016","18.635","0.002","90","","94.179","0.007","90","","966.21","0.19","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H5 Br F3 N O -","- C10 H5 Br F3 N O -","- C40 H20 Br4 F12 N4 O4 -","4","1","","Tan, Runyu; Jia, Peng; Rao, Yingli; Jia, Wenli; Hadzovic, Alen; Yu, Qing; Li, Xia; Song, Datong","Diplatinum Complexes Supported by Novel Tetradentate Ligands with Quinoline Functionalities for Tandem C−Cl Activation and Dearomatization","Organometallics","2008","27","24","6614","","10.1021/om800893r","","","0.71073","MoKα","","0.0981","0.0782","","","0.1993","0.22","","","","","","1.048","","","","has coordinates","301830","2025-08-20","13:17:21",""
"4072415","24.3205","0.0006","21.1932","0.0005","34.2425","0.0006","90","","93.893","0.001","90","","17608.9","0.7","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27.7 H35.37 B2 N2 O4.2 -","- C27.7 H35.0333 B2 N2 O4.2 -","- C664.8 H840.8 B48 N48 O100.8 -","24","3","","Tan, Runyu; Jia, Peng; Rao, Yingli; Jia, Wenli; Hadzovic, Alen; Yu, Qing; Li, Xia; Song, Datong","Diplatinum Complexes Supported by Novel Tetradentate Ligands with Quinoline Functionalities for Tandem C−Cl Activation and Dearomatization","Organometallics","2008","27","24","6614","","10.1021/om800893r","","","0.71073","MoKα","","0.1071","0.0686","","","0.1719","0.1847","","","","","","1.057","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4072416","12.5079","0.0003","21.9598","0.0009","19.328","0.0007","90","","91.434","0.002","90","","5307.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H46 Cl4 N4 -","- C52 H46 Cl4 N4 -","- C208 H184 Cl16 N16 -","4","1","","Tan, Runyu; Jia, Peng; Rao, Yingli; Jia, Wenli; Hadzovic, Alen; Yu, Qing; Li, Xia; Song, Datong","Diplatinum Complexes Supported by Novel Tetradentate Ligands with Quinoline Functionalities for Tandem C−Cl Activation and Dearomatization","Organometallics","2008","27","24","6614","","10.1021/om800893r","","","0.71073","MoKα","","0.134","0.0797","","","0.1654","0.1809","","","","","","1.019","","","","has coordinates","301830","2025-08-20","13:17:21",""
"4072417","12.7286","0.0004","15.2208","0.0006","15.4805","0.0005","104.52","0.002","105.413","0.002","99.82","0.002","2707.06","0.17","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H62 Cl4 N4 -","- C60 H62 Cl4 N4 -","- C120 H124 Cl8 N8 -","2","1","","Tan, Runyu; Jia, Peng; Rao, Yingli; Jia, Wenli; Hadzovic, Alen; Yu, Qing; Li, Xia; Song, Datong","Diplatinum Complexes Supported by Novel Tetradentate Ligands with Quinoline Functionalities for Tandem C−Cl Activation and Dearomatization","Organometallics","2008","27","24","6614","","10.1021/om800893r","","","0.71073","MoKα","","0.1054","0.0633","","","0.1515","0.1824","","","","","","1.024","","","","has coordinates,has disorder","301830","2025-08-20","13:17:21",""
"4072418","11.0134","0.0004","12.9399","0.0007","17.9995","0.0008","91.364","0.002","97.888","0.003","103.432","0.003","2467.2","0.2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H26 Cl4 F12 N4 O4 -","- C48 H26 Cl4 F12 N4 O4 -","- C96 H52 Cl8 F24 N8 O8 -","2","1","","Tan, Runyu; Jia, Peng; Rao, Yingli; Jia, Wenli; Hadzovic, Alen; Yu, Qing; Li, Xia; Song, Datong","Diplatinum Complexes Supported by Novel Tetradentate Ligands with Quinoline Functionalities for Tandem C−Cl Activation and Dearomatization","Organometallics","2008","27","24","6614","","10.1021/om800893r","","","0.71073","MoKα","","0.1556","0.0813","","","0.1921","0.215","","","","","","1.074","","","","has coordinates","301830","2025-08-20","13:17:21",""
"4072419","14.1247","0.0003","15.4594","0.0004","19.562","0.0005","82.4328","0.0014","72.3137","0.0015","66.3941","0.0014","3728.86","0.16","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C85.5 H80 Br2 N2 P2 Pd2 -","- C85.5 H79.5 Br2 N2 P2 Pd2 -","- C171 H159 Br4 N4 P4 Pd4 -","2","1","","Tan, Runyu; Jia, Peng; Rao, Yingli; Jia, Wenli; Hadzovic, Alen; Yu, Qing; Li, Xia; Song, Datong","Diplatinum Complexes Supported by Novel Tetradentate Ligands with Quinoline Functionalities for Tandem C−Cl Activation and Dearomatization","Organometallics","2008","27","24","6614","","10.1021/om800893r","","","0.71073","MoKα","","0.1156","0.0654","","","0.1473","0.1658","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4072420","16.0011","0.0011","11.9023","0.0008","17.194","0.0013","90","","101.73","0.003","90","","3206.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 N4 Pt2 -","- C62 H70 N4 Pt2 -","- C124 H140 N8 Pt4 -","2","0.5","","Tan, Runyu; Jia, Peng; Rao, Yingli; Jia, Wenli; Hadzovic, Alen; Yu, Qing; Li, Xia; Song, Datong","Diplatinum Complexes Supported by Novel Tetradentate Ligands with Quinoline Functionalities for Tandem C−Cl Activation and Dearomatization","Organometallics","2008","27","24","6614","","10.1021/om800893r","","","0.71073","MoKα","","0.0902","0.0668","","","0.1578","0.171","","","","","","1.043","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072421","9.3132","0.0004","11.8742","0.0004","13.3219","0.0003","67.5142","0.0017","85.269","0.002","85.9551","0.0017","1355.37","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H56 Cl8 N4 Pt2 -","- C56 H56 Cl8 N4 Pt2 -","- C56 H56 Cl8 N4 Pt2 -","1","0.5","","Tan, Runyu; Jia, Peng; Rao, Yingli; Jia, Wenli; Hadzovic, Alen; Yu, Qing; Li, Xia; Song, Datong","Diplatinum Complexes Supported by Novel Tetradentate Ligands with Quinoline Functionalities for Tandem C−Cl Activation and Dearomatization","Organometallics","2008","27","24","6614","","10.1021/om800893r","","","0.71073","MoKα","","0.0455","0.0389","","","0.0964","0.1011","","","","","","1.08","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072422","10.0472","0.0005","12.0539","0.0007","13.355","0.0007","70.392","0.002","83.136","0.004","86.422","0.003","1512.25","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H72 Cl8 N4 Pt2 -","- C64 H72 Cl8 N4 Pt2 -","- C64 H72 Cl8 N4 Pt2 -","1","0.5","","Tan, Runyu; Jia, Peng; Rao, Yingli; Jia, Wenli; Hadzovic, Alen; Yu, Qing; Li, Xia; Song, Datong","Diplatinum Complexes Supported by Novel Tetradentate Ligands with Quinoline Functionalities for Tandem C−Cl Activation and Dearomatization","Organometallics","2008","27","24","6614","","10.1021/om800893r","","","0.71073","MoKα","","0.1389","0.0738","","","0.16","0.1917","","","","","","0.992","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072423","11.2692","0.0007","12.5803","0.0011","12.6285","0.0011","69.421","0.003","77.399","0.005","84.709","0.005","1635.5","0.2","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H37 Cl11 F12 N4 O4 Pt2 -","- C53 H37 Cl11 F12 N4 O4 Pt2 -","- C53 H37 Cl11 F12 N4 O4 Pt2 -","1","0.5","","Tan, Runyu; Jia, Peng; Rao, Yingli; Jia, Wenli; Hadzovic, Alen; Yu, Qing; Li, Xia; Song, Datong","Diplatinum Complexes Supported by Novel Tetradentate Ligands with Quinoline Functionalities for Tandem C−Cl Activation and Dearomatization","Organometallics","2008","27","24","6614","","10.1021/om800893r","","","0.71073","MoKα","","0.0753","0.0618","","","0.1605","0.1714","","","","","","1.07","","","","has coordinates,has disorder","178613","2020-10-21","18:00:00",""
"4072424","17.0501","0.0016","22.666","0.002","17.7204","0.0016","90","","96.727","0.002","90","","6801","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H56 Ir N3 P2 -","- C32 H56 Ir N3 P2 -","- C256 H448 Ir8 N24 P16 -","8","2","","Whited, Matthew T.; Grubbs, Robert H.","Synthesis and Reactivity of Iridium(III) Dihydrido Aminocarbenes","Organometallics","2008","27","22","5737","","10.1021/om8009365","","","0.71073","MoKα","","0.0556","0.0308","","","0.0586","0.0652","","","","","","1.023","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072425","10.5431","0.0009","16.3967","0.0013","21.8123","0.0018","90","","94.963","0.002","90","","3756.6","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H65 Ir N3 P3 -","- C35 H65 Ir N3 P3 -","- C140 H260 Ir4 N12 P12 -","4","1","","Whited, Matthew T.; Grubbs, Robert H.","Synthesis and Reactivity of Iridium(III) Dihydrido Aminocarbenes","Organometallics","2008","27","22","5737","","10.1021/om8009365","","","0.71073","MoKα","","0.0401","0.0281","","","0.0598","0.0635","","","","","","1.086","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072426","10.64","0.003","11.968","0.003","14.554","0.004","85.152","0.005","75.576","0.004","67.644","0.004","1659.9","0.8","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H50 Ir N O3 P2 -","- C33 H50 Ir N O3 P2 -","- C66 H100 Ir2 N2 O6 P4 -","2","1","","Whited, Matthew T.; Grubbs, Robert H.","Synthesis and Reactivity of Iridium(III) Dihydrido Aminocarbenes","Organometallics","2008","27","22","5737","","10.1021/om8009365","","","0.71073","MoKα","","0.0668","0.0393","","","0.0813","0.0919","","","","","","1.082","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072427","8.0561","0.0003","19.3133","0.001","29.9033","0.0015","90","","90","","90","","4652.7","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 Ir O2 -","- C30 H27 Ir O2 -","- C240 H216 Ir8 O16 -","8","2","","Panichakul, Duanghathai; Su, Yan; Li, Yongxin; Deng, Weiqiao; Zhao, Jing; Li, Xingwei","A Rare η3Binding Mode of Aryloxides in Iridium, Rhodium, and Ruthenium Complexes","Organometallics","2008","27","24","6390","","10.1021/om800985u","","","0.71073","MoKα","","0.0552","0.0334","","","0.0695","0.1003","","","","","","1.094","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072428","11.7231","0.0003","18.1973","0.0006","19.5353","0.0006","90","","100.494","0.002","90","","4097.7","0.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H50 Cl2 Ir2 O5 -","- C45 H50 Cl2 Ir2 O5 -","- C180 H200 Cl8 Ir8 O20 -","4","1","","Panichakul, Duanghathai; Su, Yan; Li, Yongxin; Deng, Weiqiao; Zhao, Jing; Li, Xingwei","A Rare η3Binding Mode of Aryloxides in Iridium, Rhodium, and Ruthenium Complexes","Organometallics","2008","27","24","6390","","10.1021/om800985u","","","0.71073","MoKα","","0.0423","0.0252","","","0.0655","0.0923","","","","","","1.139","","","","has coordinates,has disorder","178613","2020-10-21","18:00:00",""
"4072429","8.0134","0.0002","19.4063","0.0005","29.9106","0.0009","90","","90","","90","","4651.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H27 O2 Rh -","- C30 H27 O2 Rh -","- C240 H216 O16 Rh8 -","8","2","","Panichakul, Duanghathai; Su, Yan; Li, Yongxin; Deng, Weiqiao; Zhao, Jing; Li, Xingwei","A Rare η3Binding Mode of Aryloxides in Iridium, Rhodium, and Ruthenium Complexes","Organometallics","2008","27","24","6390","","10.1021/om800985u","","","0.71073","MoKα","","0.0411","0.0326","","","0.066","0.0698","","","","","","1.037","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072430","16.368","0.002","16.892","0.002","18.687","0.003","90","","100.086","0.002","90","","5086.9","1.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C94 H124 B4 F16 N12 Ni4 O2 -","- C94 H124 B4 F16 N12 Ni4 O2 -","- C188 H248 B8 F32 N24 Ni8 O4 -","2","0.5","","Hahn, F. Ekkehardt; Radloff, Christian; Pape, Tania; Hepp, Alexander","A Nickel(II)-Cornered Molecular Rectangle with Biscarbene and 4,4′-Bipyridine Bridging Groups","Organometallics","2008","27","24","6408","","10.1021/om801007u","","","0.71073","MoKα","","0.1664","0.0959","","","0.265","0.3302","","","","","","0.97","","","","has coordinates,has disorder","178613","2020-10-21","18:00:00",""
"4072431","10.2497","0.0004","10.7909","0.0005","14.198","0.0006","90","","90","","90","","1570.35","0.12","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Br N2 Ni -","- C16 H19 Br N2 Ni -","- C64 H76 Br4 N8 Ni4 -","4","1","","Hahn, F. Ekkehardt; Radloff, Christian; Pape, Tania; Hepp, Alexander","A Nickel(II)-Cornered Molecular Rectangle with Biscarbene and 4,4′-Bipyridine Bridging Groups","Organometallics","2008","27","24","6408","","10.1021/om801007u","","","0.71073","MoKα","","0.0334","0.0257","","","0.0484","0.0502","","","","","","0.962","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072432","17.3023","0.0014","23.345","0.002","23.2655","0.0019","90","","96.098","0.001","90","","9344.3","1.3","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C41 H56 Br2 N4 Ni2 -","- C41 H55.5 Br2 N4 Ni2 -","- C328 H444 Br16 N32 Ni16 -","8","2","","Hahn, F. Ekkehardt; Radloff, Christian; Pape, Tania; Hepp, Alexander","A Nickel(II)-Cornered Molecular Rectangle with Biscarbene and 4,4′-Bipyridine Bridging Groups","Organometallics","2008","27","24","6408","","10.1021/om801007u","","","0.71073","MoKα","","0.1906","0.0859","","","0.2493","0.3137","","","","","","1.036","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072433","18.765","0.005","10.511","0.003","25.588","0.007","90","","104.416","0.004","90","","4888","2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 F12 N6 Ni2 O P2 -","- C46 H54 F12 N6 Ni2 O P2 -","- C184 H216 F48 N24 Ni8 O4 P8 -","4","1","","Hahn, F. Ekkehardt; Radloff, Christian; Pape, Tania; Hepp, Alexander","A Nickel(II)-Cornered Molecular Rectangle with Biscarbene and 4,4′-Bipyridine Bridging Groups","Organometallics","2008","27","24","6408","","10.1021/om801007u","","","0.71073","MoKα","","0.1878","0.0714","","","0.1403","0.1942","","","","","","0.98","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072434","7.2466","0.0004","19.5763","0.001","7.9997","0.0004","90","","104.296","0.001","90","","1099.71","0.1","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C21 H32 Cl2 N O P Pd -","- C21 H32 Cl2 N O P Pd -","- C42 H64 Cl4 N2 O2 P2 Pd2 -","2","1","","Rubina, Marina; Sherrill, William M.; Rubin, Michael","Dramatic Stereo- and Enantiodivergency in the Intermolecular Asymmetric Heck Reaction Catalyzed by Palladium Complexes with Cyclopropane-Based PHOX Ligands","Organometallics","2008","27","24","6393","","10.1021/om801051d","","","0.71073","MoKα","","0.0254","0.0246","","","0.0573","0.0576","","","","","","1.011","","","","has coordinates","178613","2020-10-21","18:00:00",""
"4072435","17.1172","0.0012","17.4726","0.0012","33.072","0.002","90","","90","","90","","9891.2","1.1","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21.25 H33.5 Cl2.5 N O1.5 P Pd -","- C21.25 H32.5 Cl2.5 N O1.5 P Pd -","- C340 H520 Cl40 N16 O24 P16 Pd16 -","16","4","","Rubina, Marina; Sherrill, William M.; Rubin, Michael","Dramatic Stereo- and Enantiodivergency in the Intermolecular Asymmetric Heck Reaction Catalyzed by Palladium Complexes with Cyclopropane-Based PHOX Ligands","Organometallics","2008","27","24","6393","","10.1021/om801051d","","","0.71073","MoKα","","0.0898","0.0745","","","0.149","0.1549","","","","","","1.121","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4082270","9.4734","0.0004","16.2505","0.0008","9.7948","0.0007","90","","91.773","0.006","90","","1507.16","0.15","100","2","100","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C29 H32 Cl F6 N O2 P2 Ru -","- C29 H32 Cl F6 N O2 P2 Ru -","- C58 H64 Cl2 F12 N2 O4 P4 Ru2 -","2","1","","Weber, Immo; Heinemann, Frank W.; Bauer, Walter; Superchi, Stefano; Zahl, Achim; Richter, Daniela; Zenneck, Ulrich","Diastereoselective Routes to [Amino{σ(P):η6-(ansa-phosphinite)benzene}chlororuthenium(II)] PF6Salts: Kinetic versus Thermodynamic Preferences","Organometallics","2008","27","16","4116","","10.1021/om701257m","","","0.71073","MoKα","","0.042","0.0306","","","0.0598","0.0623","","","","","","1.075","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083495","9.6933","0.0019","12.9082","0.0019","17.281","0.003","101.758","0.017","99.882","0.018","92.274","0.013","2079.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H70 Cl2 O2 Ru2 -","- C40 H70 Cl2 O2 Ru2 -","- C80 H140 Cl4 O4 Ru4 -","2","1","","Dutta, Barnali; Scolaro, Claudine; Scopelliti, Rosario; Dyson, Paul J.; Severin, Kay","Importance of the π-Ligand: Remarkable Effect of the Cyclopentadienyl Ring on the Cytotoxicity of Ruthenium PTA Compounds","Organometallics","2008","27","7","1355","","10.1021/om800025a","","","0.71073","MoKα","","0.1244","0.0904","","","0.2159","0.2361","","","","","","1.231","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083496","10.1217","0.0002","11.7586","0.0004","15.8825","0.0005","94.871","0.003","90.261","0.002","99.551","0.002","1857.02","0.09","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C34.5 H61 Cl N6 O P2 Ru -","- C34.5 H61 Cl N6 O P2 Ru -","- C69 H122 Cl2 N12 O2 P4 Ru2 -","2","1","","Dutta, Barnali; Scolaro, Claudine; Scopelliti, Rosario; Dyson, Paul J.; Severin, Kay","Importance of the π-Ligand: Remarkable Effect of the Cyclopentadienyl Ring on the Cytotoxicity of Ruthenium PTA Compounds","Organometallics","2008","27","7","1355","","10.1021/om800025a","","","0.71073","MoKα","","0.0217","0.0187","","","0.0466","0.0488","","","","","","1.033","","","","has coordinates,has disorder","301831","2025-08-20","13:52:24",""
"4083497","15.048","0.0006","16.03","0.0014","23.183","0.0018","90","","94.838","0.004","90","","5572.3","0.7","120","0.1","120","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis{bis(di-tert-butylmethylsilyl)[(tetrahydrofuran)lithio]silyl}","","- C44 H100 Li2 O2 Si6 -","- C44 H100 Li2 O2 Si6 -","- C176 H400 Li8 O8 Si24 -","4","1","","Inoue, Shigeyoshi; Ichinohe, Masaaki; Sekiguchi, Akira","Isolable Alkali-Metal-Substituted Silyl Radicals (tBu2MeSi)2SiM (M = Li, Na, K): Electronically and Sterically Accessible Planar Silyl Radicals","Organometallics","2008","27","7","1358","","10.1021/om8000185","","","0.7107","MoKα","","0.0889","0.0514","","","0.1322","0.1538","","","","","","0.956","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083498","11.268","0.0007","11.625","0.0006","15.315","0.0008","71.941","0.003","78.913","0.003","72.57","0.003","1808.75","0.18","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","1,1,3,3-tetra-tert-butyl-1,3-dimethyl- 2-[(1,4,7,10,13-pentaoxacyclopentadecane)sodio]trisilan-2-yl","","- C28 H62 Na O5 Si3 -","- C28 H62 Na O5 Si3 -","- C56 H124 Na2 O10 Si6 -","2","1","","Inoue, Shigeyoshi; Ichinohe, Masaaki; Sekiguchi, Akira","Isolable Alkali-Metal-Substituted Silyl Radicals (tBu2MeSi)2SiM (M = Li, Na, K): Electronically and Sterically Accessible Planar Silyl Radicals","Organometallics","2008","27","7","1358","","10.1021/om8000185","","","0.7107","MoKα","","0.0467","0.0427","","","0.119","0.123","","","","","","1.006","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083499","11.189","0.004","20.083","0.006","8.224","0.003","90","","107.958","0.004","90","","1758","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H34 Cl8 Ir2 O4 -","- C28 H34 Cl8 Ir2 O4 -","- C56 H68 Cl16 Ir4 O8 -","2","0.5","","Han, Ying-Feng; Lin, Yue-Jian; Jia, Wei-Guo; Jin, Guo-Xin","Synthesis, Characterization, and Electrochemical Properties of Molecular Rectangles of Half-Sandwich Iridium Complexes Containing Bridging Chloranilate Ligands†","Organometallics","2008","27","16","4088","","10.1021/om800426e","","","0.71073","MoKα","","0.0355","0.0277","","","0.0619","0.0643","","","","","","1.044","","","","has coordinates","178723","2020-10-21","18:00:00",""
"4083500","12.952","0.006","35.774","0.016","14.664","0.006","90","","112.652","0.007","90","","6270","5","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C51 H48 Br2 Cl4 F6 Ir2 N2 O10 S2 -","- C51 H48 Br2 Cl4 F6 Ir2 N2 O10 S2 -","- C204 H192 Br8 Cl16 F24 Ir8 N8 O40 S8 -","4","1","","Han, Ying-Feng; Lin, Yue-Jian; Jia, Wei-Guo; Jin, Guo-Xin","Synthesis, Characterization, and Electrochemical Properties of Molecular Rectangles of Half-Sandwich Iridium Complexes Containing Bridging Chloranilate Ligands†","Organometallics","2008","27","16","4088","","10.1021/om800426e","","","0.71073","MoKα","","0.1297","0.0861","","","0.187","0.2024","","","","","","1.062","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083501","21.38","0.02","29.82","0.03","32.3","0.03","90","","90","","90","","20593","3","173","2","173","2","","","","","","","","8","P c c n","-P 2ab 2ac","56","","","","- C73.5 H86 Cl4 F12 Ir4 N4 O22.5 S4 -","- C73.5 H79 Cl4 F12 Ir4 N4 O22.5 S4 -","- C588 H632 Cl32 F96 Ir32 N32 O180 S32 -","8","1","","Han, Ying-Feng; Lin, Yue-Jian; Jia, Wei-Guo; Jin, Guo-Xin","Synthesis, Characterization, and Electrochemical Properties of Molecular Rectangles of Half-Sandwich Iridium Complexes Containing Bridging Chloranilate Ligands†","Organometallics","2008","27","16","4088","","10.1021/om800426e","","","0.71073","MoKα","","0.1324","0.0651","","","0.1303","0.1497","","","","","","0.888","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083502","15.502","0.005","17.303","0.005","22.752","0.007","71.007","0.004","77.715","0.005","82.149","0.005","5623","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C83 H84 Cl4 F12 Ir4 N4 O20 S4 -","- C83 H84 Cl4 F12 Ir4 N4 O20 S4 -","- C166 H168 Cl8 F24 Ir8 N8 O40 S8 -","2","1","","Han, Ying-Feng; Lin, Yue-Jian; Jia, Wei-Guo; Jin, Guo-Xin","Synthesis, Characterization, and Electrochemical Properties of Molecular Rectangles of Half-Sandwich Iridium Complexes Containing Bridging Chloranilate Ligands†","Organometallics","2008","27","16","4088","","10.1021/om800426e","","","0.71073","MoKα","","0.1272","0.0566","","","0.1342","0.1502","","","","","","0.838","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083503","8.43","0.005","16.397","0.01","21.769","0.013","103.33","0.011","101.033","0.008","99.267","0.008","2807","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C80 H80 Cl4 F12 Ir4 N4 O20 S4 -","- C79 H80 Cl4 F9 Ir4 N4 O17 S3 -","- C79 H80 Cl4 F9 Ir4 N4 O17 S3 -","1","0.5","","Han, Ying-Feng; Lin, Yue-Jian; Jia, Wei-Guo; Jin, Guo-Xin","Synthesis, Characterization, and Electrochemical Properties of Molecular Rectangles of Half-Sandwich Iridium Complexes Containing Bridging Chloranilate Ligands†","Organometallics","2008","27","16","4088","","10.1021/om800426e","","","0.71073","MoKα","","0.0991","0.059","","","0.1342","0.1457","","","","","","0.937","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083504","8.7249","0.0003","11.4772","0.0004","28.8269","0.0011","90","","90","","90","","2886.65","0.18","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H44 Cl2 Si2 Zr -","- C27 H44 Cl2 Si2 Zr -","- C108 H176 Cl8 Si8 Zr4 -","4","1","","Min, Endy Y.-J.; Byers, Jeffery A.; Bercaw, John E.","Catalyst Site Epimerization during the Kinetic Resolution of Chiral α-Olefins by Polymerization","Organometallics","2008","27","10","2179","","10.1021/om700778e","","","0.71073","MoKα","","0.0609","0.0393","","","0.0663","0.0698","","","","","","1.091","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4083506","9.984","0.002","12.774","0.003","22.118","0.004","90","","95.56","0.03","90","","2807.6","1","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","{2,4,6-trimethyl-N-(1-(6-(benzo[d]oxazol-2-yl)pyridin- 2-yl)ethylidene)benzenamine} dichloronickel","","- C26 H33 Cl2 N3 Ni O4 -","- C26 H33 Cl2 N3 Ni O4 -","- C104 H132 Cl8 N12 Ni4 O16 -","4","1","","Gao, Rong; Zhang, Min; Liang, Tongling; Wang, Fosong; Sun, Wen-Hua","Nickel(II) Complexes Chelated by 2-Arylimino-6-benzoxazolylpyridine: Syntheses, Characterization, and Ethylene Oligomerization","Organometallics","2008","27","21","5641","","10.1021/om800647w","","","0.71073","MoKα","","0.0619","0.0497","","","0.1003","0.1052","","","","","","1.166","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083507","9.2389","0.0018","9.817","0.002","11.656","0.002","91.31","0.03","98.99","0.03","95.83","0.03","1038","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","{2,6-Dimethyl-N-(1-(6-(benzo[d]oxazol-2-yl)pyridin- 2-yl)ethylidene)benzenamine} dibromonickel","","- C22 H19 Br2 N3 Ni O -","- C22 H19 Br2 N3 Ni O -","- C44 H38 Br4 N6 Ni2 O2 -","2","1","","Gao, Rong; Zhang, Min; Liang, Tongling; Wang, Fosong; Sun, Wen-Hua","Nickel(II) Complexes Chelated by 2-Arylimino-6-benzoxazolylpyridine: Syntheses, Characterization, and Ethylene Oligomerization","Organometallics","2008","27","21","5641","","10.1021/om800647w","","","0.71073","MoKα","","0.076","0.0523","","","0.09","0.0957","","","","","","1.139","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083508","11.11","0.002","15.427","0.003","15.714","0.006","90","","121.36","0.02","90","","2299.8","1.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","{(E)-2,6-dibromo-N-(1-(6-(1-methyl-1H-benzo[d]imidazol-2-yl) pyridin-2-yl)ethylidene)benzenamine}dibromonickel","{(E)-2,6-dibromo-N-(1-(6-(1-methyl-1H-benzo[d]imidazol-2-yl) pyridin-2-yl)ethylidene)benzenamine}dibromonickel","","- C21 H17 Br4 N3 Ni O2 -","- C21 H17 Br4 N3 Ni O2 -","- C84 H68 Br16 N12 Ni4 O8 -","4","1","","Gao, Rong; Zhang, Min; Liang, Tongling; Wang, Fosong; Sun, Wen-Hua","Nickel(II) Complexes Chelated by 2-Arylimino-6-benzoxazolylpyridine: Syntheses, Characterization, and Ethylene Oligomerization","Organometallics","2008","27","21","5641","","10.1021/om800647w","","","0.71073","MoKα","","0.063","0.0418","","","0.0654","0.0693","","","","","","1.102","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083509","10.724","0.0003","24.2086","0.0008","9.2365","0.0003","90","","99.893","0.001","90","","2362.26","0.13","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 F3 N4 O3 Pt S -","- C24 H23 F3 N4 O3 Pt S -","- C96 H92 F12 N16 O12 Pt4 S4 -","4","1","","Zhao, Shu-Bin; Wu, Gang; Wang, Suning","Steric Impact of Neutral N,N-Chelates on the Structure and Stability of Five-Coordinate Platinum(IV) Complexes:fac-PtIVMe3Complexes of BAB and BAM","Organometallics","2008","27","6","1030","","10.1021/om701264z","","","0.71073","MoKα","","0.0219","0.0184","","","0.0374","0.0383","","","","","","1.106","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083510","8.092","0.005","20.908","0.013","10.379","0.007","90","","98.975","0.007","90","","1734.5","1.9","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H20 N4 Pt -","- C18 H20 N4 Pt -","- C72 H80 N16 Pt4 -","4","2","","Zhao, Shu-Bin; Wu, Gang; Wang, Suning","Steric Impact of Neutral N,N-Chelates on the Structure and Stability of Five-Coordinate Platinum(IV) Complexes:fac-PtIVMe3Complexes of BAB and BAM","Organometallics","2008","27","6","1030","","10.1021/om701264z","","","0.71073","MoKα","","0.0177","0.0165","","","0.036","0.0364","","","","","","0.951","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083511","6.8821","0.0001","10.9123","0.0001","14.1919","0.0002","92.657","0.001","91.962","0.001","104.942","0.001","1027.48","0.02","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H21 F3 N4 O3 Pt S -","- C19 H21 F3 N4 O3 Pt S -","- C38 H42 F6 N8 O6 Pt2 S2 -","2","1","","Zhao, Shu-Bin; Wu, Gang; Wang, Suning","Steric Impact of Neutral N,N-Chelates on the Structure and Stability of Five-Coordinate Platinum(IV) Complexes:fac-PtIVMe3Complexes of BAB and BAM","Organometallics","2008","27","6","1030","","10.1021/om701264z","","","0.71073","MoKα","","0.0172","0.0166","","","0.041","0.0413","","","","","","1.075","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4083512","9.2523","0.0011","11.2105","0.0013","13.4198","0.0016","66.814","0.001","73.859","0.001","83.802","0.001","1229.1","0.3","453","2","453","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H29 F6 N4 O P Pt -","- C22 H29 F6 N4 O P Pt -","- C44 H58 F12 N8 O2 P2 Pt2 -","2","1","","Zhao, Shu-Bin; Wu, Gang; Wang, Suning","Steric Impact of Neutral N,N-Chelates on the Structure and Stability of Five-Coordinate Platinum(IV) Complexes:fac-PtIVMe3Complexes of BAB and BAM","Organometallics","2008","27","6","1030","","10.1021/om701264z","","","0.71073","MoKα","","0.0201","0.0186","","","0.0464","0.047","","","","","","1.074","","","","has coordinates,has disorder","178724","2020-10-21","18:00:00",""
"4083513","10.881","0.0004","17.287","0.0003","31.322","0.001","90","","90.844","0.002","90","","5891","0.3","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,3,4,4-Tetra-tert-butyl-2-(di-tert-butylmethylsilyl)- cyclotetrasilenylium Tetrakis(pentafluorophenyl)borate","","- C52 H60 B F20 Si5 -","- C52 H60 B F20 Si5 -","- C208 H240 B4 F80 Si20 -","4","1","","Inoue, Shigeyoshi; Ichinohe, Masaaki; Yamaguchi, Torahiko; Sekiguchi, Akira","A Free Silylium Ion: A Cyclotetrasilenylium Ion with Allylic Character","Organometallics","2008","27","23","6056","","10.1021/om800912v","","","0.7107","MoKα","","0.0826","0.0647","","","0.1971","0.2124","","","","","","1.09","","","","has coordinates","178724","2020-10-21","18:00:00",""
"4331401","6.1736","","6.1736","","12.897","","90","","90","","120","","425.693","","","","","","","","","","","","","4","P -3 1 c","-P 3 2c","163","","Ag Sc (P2 S6)","","- Ag P2 S6 Sc -","- Ag P2 S6 Sc -","- Ag2 P4 S12 Sc2 -","2","0.166667","","Lee, S.; Colombet, P.; Ouvrard, G.; Brec, R.","General trends observed in the substituted thiophosphate family. Synthesis and structure of Ag Sc P2 S6 and Cd Fe P2 S6.","Inorganic Chemistry","1988","27","","1291","1294","10.1021/ic00280a041","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331423","8.6042","","5.4496","","10.8673","","90","","90","","90","","509.562","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Mn (B F4)2","","- B2 F8 Mn -","- B2 F8 Mn -","- B8 F32 Mn4 -","4","0.5","","McCormick, M.J.; O'Donnell, T.A.; Hoskins, B.F.; Cockman, R.W.","Isolation and crystal structure of manganese(II) tetrafluoroborate: A unique example of manganese(II) with seven unidentate ligands.","Inorganic Chemistry","1988","27","","2742","2745","10.1021/ic00288a034","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4331444","9.92","","9.92","","6.23","","90","","90","","90","","613.072","","","","","","","","","","","","","3","P -4 21 m","P -4 2ab","113","","(N F4) (B F4)","","- B F8 N -","- B F8 N -","- B4 F32 N4 -","4","0.5","","Fawcett, J.; Christe, K.O.; Russell, D.R.; Thorup, N.; David, L.M.","Crystal structure of (N F4)(+) salts","Inorganic Chemistry","1988","27","","2450","2454","10.1021/ic00287a016","","","","","","","","","","","","","","","","","","","","","has coordinates","301839","2025-08-20","22:57:33",""
"4344348","17.459","","12.185","","5.2431","","90","","90","","90","","1115.41","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","V2 (V O) (P2 O7)2","","- O15 P4 V3 -","- O15 P4 V3 -","- O60 P16 V12 -","4","0.5","","Johnson, J.W.; Johnston, D.C.; King, H.E.jr.; Brody, J.F.; Halbert, T.R.; Goshorn, D.P.","Structure and magnetic properties of V2 (V O) (P2 O7)2. A mixed-valence vanadium(III,III,IV) pyrophosphate.","Inorganic Chemistry","1988","27","","1646","1648","","","","","","","","","","","","","","","","","","","","","","has coordinates","167254","2020-10-21","18:00:00",""
"4344363","8.012","","10.588","","6.687","","90","","90","","90","","567.265","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","K2 (Ru (O H)2 O3)","","- H2 K2 O5 Ru -","- K2 O5 Ru -","- K8 O20 Ru4 -","4","1","","Elout, M.O.; Haije, W.G.; Maaskant, W.J.A.","Crystal structure determination of dipotassium dihydroxotrioxoruthenate(VI): configuration of the ruthenate ion and its electronic properties","Inorganic Chemistry","1988","27","","610","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4344383","12.841","","7.146","","12.994","","90","","106.18","","90","","1145.12","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Na2 (Ti2 (Se2)3 Se2)","","- Na2 Se8 Ti2 -","- Na2 Se8 Ti2 -","- Na8 Se32 Ti8 -","4","1","","Kang, D.; Ibers, J.A.","Synthesis and characterization of Na2 Ti2 Se8, a new one-dimensional solid-state polyselenide","Inorganic Chemistry","1988","27","","549","551","","","","","","","","","","","","","","","","","","","","","","has coordinates","169424","2020-10-21","18:00:00",""
"4501469","8.5295","0.0006","10.4269","0.0007","29.0633","0.0019","90","","90","","90","","2584.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H28 N2 O4 -","- C30 H28 N2 O4 -","- C120 H112 N8 O16 -","4","1","","Zhang, Ye; Kuang, Yi; Gao, Yuan; Xu, Bing","Versatile small-molecule motifs for self-assembly in water and the formation of biofunctional supramolecular hydrogels.","Langmuir : the ACS journal of surfaces and colloids","2011","27","2","529","537","10.1021/la1020324","","","0.71073","MoKα","","0.0449","0.0354","","","0.0798","0.0835","","","","","","1.025","","","","has coordinates","301842","2025-08-21","00:37:09",""
"4501470","36.027","0.008","8.1258","0.0017","18.646","0.004","90","","90.241","0.006","90","","5459","2","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","1-cyano-trans-1,2-bis-(4-carbazolyl)phenylethylene","","- C39 H25 N3 -","- C39 H25 N3 -","- C312 H200 N24 -","8","1","","Upamali, Karasinghe A. N.; Estrada, Leandro A.; De, Puran K.; Cai, Xichen; Krause, Jeanette A.; Neckers, Douglas C.","Carbazole-based cyano-stilbene highly fluorescent microcrystals.","Langmuir : the ACS journal of surfaces and colloids","2011","27","5","1573","1580","10.1021/la103894x","","","0.7749","synchrotron","","0.1061","0.0482","","","0.1082","0.1325","","","","","","0.958","","","","has coordinates","301842","2025-08-21","00:37:09",""
"4501471","13.165","0.005","13.484","0.006","14.961","0.007","90","","100.422","0.01","90","","2612","2","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H70 Nb2 O24 Re2 Ta2 -","- C28 H70 Nb2.398 O24 Ta3.602 -","- C56 H140 Nb4.796 O48 Ta7.204 -","2","0.5","","Nikonova, Olesya A.; Nedelec, Jean-Marie; Kessler, Vadim G.; Seisenbaeva, Gulaim A.","Precursor-directed assembly of complex oxide nanobeads: the role of strongly coordinated inorganic anions.","Langmuir : the ACS journal of surfaces and colloids","2011","27","18","11622","11628","10.1021/la2028719","","","0.71073","MoKα","","0.1842","0.0944","","","0.1896","0.2116","","","","","","1.072","","","","has coordinates","179545","2020-10-21","18:00:00",""
"4501472","14.063","0.006","14.446","0.006","17.076","0.008","90","","100.115","0.009","90","","3415","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H98 Nb4 O24 Re2 -","- C42 H98 Nb4 O24 Re2 -","- C84 H196 Nb8 O48 Re4 -","2","0.5","","Nikonova, Olesya A.; Nedelec, Jean-Marie; Kessler, Vadim G.; Seisenbaeva, Gulaim A.","Precursor-directed assembly of complex oxide nanobeads: the role of strongly coordinated inorganic anions.","Langmuir : the ACS journal of surfaces and colloids","2011","27","18","11622","11628","10.1021/la2028719","","","0.71073","MoKα","","0.1517","0.0928","","","0.2315","0.2484","","","","","","1.174","","","","has coordinates","301842","2025-08-21","00:37:09",""
"5000037","4.443","","5.424","","3.386","","90","","90","","90","","81.6","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Iron persulfide","Marcasite","?","- Fe S2 -","- Fe2 S4 -","2","0.25","","Brostigen, G; Kjekshus, A; Romming, C","","Acta Chemica Scandinavica (1-27,1973-42,1988)","1973","27","","2791","2796","10.3891/acta.chem.scand.27-2791","","","","","","0.0561","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"5000140","11.02","0.004","6.795","0.001","14.964","0.004","90","","124.15","0.02","90","","927.31","","","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H2 Cl N3 O6 -","- C6 H2 Cl N3 O6 -","- C24 H8 Cl4 N12 O24 -","4","1","","Willis, J. S.; Stewart, J. M.; Ammon, H. L.; Preston, H. S.; Gluyas, R. E.; Harris, P. M.","The crystal structure of picryl chloride","Acta Crystallographica Section B","1971","27","4","786","793","10.1107/S0567740871002929","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000258","10.147","0.002","11.938","0.002","12.531","0.014","90","","90","","90","","1517.94","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 Br Cl O2 -","- C15 H22 Br Cl O2 -","- C60 H88 Br4 Cl4 O8 -","4","1","","Atta-Ur-Rahman; Ahmad, Viqar Uddin; Bano, Shaheen; Abbas, S. A.; Alvi, K. A.; Ali, M. Shaiq; Lu, Helens M.; Clardy, Jon","Pinnatazane, a bridged cyclic ether sesquiterpene from Laurencia pinnatifida","Phytochemistry","1988","27","12","3879","3880","10.1016/0031-9422(88)83036-X","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:30",""
"5900010","15.1","","4.45","","13","","90","","109","","90","","825.94","","","","","","","","","","","","","2","P 1 21/c 1","","14","","Tetraiodoethene","","- C2 I4 -","- I4 -","- I16 -","4","1","","","","Jurn. fiz. khimii","1953","27","","1330","","","","","","","","","","","","","","","","","","","","","","","has coordinates","264769","2021-05-03","12:41:22",""
"6000211","9.214","","9.214","","49.452","","90","","90","","90","","4198.37","","","","","","","","","","","","","4","P 41 21 2","","","","","","- C23 H29 F O6 -","","","","","","Valente, E. J.; Zubkowski, J. D.; Lee, K. S.; Driessen, R. A. J.; Goubitz, K.; Numan, M.; Schenk, H.; Lee, H. J.; Ko, D. H.","9α-fluoro-11β,17α,21-trihydroxy-1,4-pregnadiene-3,20-dione-21-acetate (9-fluoroprednisolone-21-acetate)","Journal of Chemical Crystallography","1997","27","4","219","222","10.1007/BF02575958","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000566","3.1455","","3.1455","","4.7646","","90","","90","","120","","40.83","","","","","","","","","","","","","3","P -3 m 1","","","","","","- D2 Mg O2 -","","","","","","Partin, D. E.; Okeeffe, M.; Vondreele, R. B.","Crystal-structure and profile fitting of Mg(OD)2 by time-of-flight neutron-diffraction","Journal of Applied Crystallography","1994","27","","581","584","10.1107/S0021889893008672","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"6000679","8.3645","","15.1694","","5.4427","","90","","103.145","","90","","672.5","","","","","","","","","","","","","4","P 1 21/c 1","","","","","","- H8 O9 S Zr -","","","","","","Gascoigne, D.; Tarling, S. E.; Barnes, P.; Pygall, C. F.; Benard, P.; Louer, D.","Ab-initio structure determination of ZR(OH)2SO4.3H2O using conventional monochromatic X-ray-powder diffraction","Journal of Applied Crystallography","1994","27","","399","405","10.1107/S0021889893006211","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7050396","42.5519","0.0005","42.5519","0.0005","8.7407","0.0005","90","","90","","120","","13706.1","0.8","150","","150","","","","","","","","","6","R -3 :H","-R 3","148","","","","- C30 H31 Cl3 O P Ta -","- C30 H31 Cl3 O P Ta -","- C540 H558 Cl54 O18 P18 Ta18 -","18","1","","Morise, Xavier; Green, Malcolm L. H.; Braunstein, Pierre; Rees, Leigh H.; Vei, Ino C.","Monocyclopentadienyl complexes of niobium, tantalum and tungsten containing heterodifunctional P,O ligands","New Journal of Chemistry","2003","27","1","32","38","10.1039/b202983a","","","0.71073","MoKα","","","0.0281","","","","0.0298","","","","","","1.0695","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050397","8.4611","0.0001","16.6441","0.0003","16.8443","0.0003","92.6314","0.0008","99.3326","0.0009","94.1166","0.0011","2330.71","0.07","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C50 H42 Cl6 O2 P2 Ta2 -","- C50 H42 Cl6 O2 P2 Ta2 -","- C100 H84 Cl12 O4 P4 Ta4 -","2","1","","Morise, Xavier; Green, Malcolm L. H.; Braunstein, Pierre; Rees, Leigh H.; Vei, Ino C.","Monocyclopentadienyl complexes of niobium, tantalum and tungsten containing heterodifunctional P,O ligands","New Journal of Chemistry","2003","27","1","32","38","10.1039/b202983a","","","0.71073","MoKα","","","0.0314","","","","0.0366","","","","","","1.0798","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050398","7.876","0.001","26.392","0.001","12.65","0.001","90","","97.01","0.01","90","","2609.8","0.4","150","","150","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28.5 H25 Cl3 Nb O P -","- C28.5 H25 Cl3 Nb O P -","- C114 H100 Cl12 Nb4 O4 P4 -","4","1","","Morise, Xavier; Green, Malcolm L. H.; Braunstein, Pierre; Rees, Leigh H.; Vei, Ino C.","Monocyclopentadienyl complexes of niobium, tantalum and tungsten containing heterodifunctional P,O ligands","New Journal of Chemistry","2003","27","1","32","38","10.1039/b202983a","","","0.71069","MoKα","","","0.0515","","","","0.0543","","","","","","0.8072","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050399","5.0566","0.0007","14.156","0.002","28.558","0.004","90","","93.492","0.008","90","","2040.4","0.5","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C92 H100 N4 O20 S4 -","4","1","","Fedorov, Yu. V.; Fedorova, O. A.; Andryukhina, E. N.; Gromov, S. P.; Alfimov, M. V.; Kuzmina, L. G.; Churakov, A. V.; Howard, J. A. K.; Aaron, J.-J.","Ditopic complex formation of the crown-containing 2-styrylbenzothiazole","New Journal of Chemistry","2003","27","2","280","","10.1039/b205305e","","","0.71073","MoKα","","0.1213","0.0522","","0.1372","0.1046","","","","1.005","1.116","1.116","","","","","has coordinates,has disorder","301851","2025-08-21","20:32:33",""
"7050400","9.431","0.0005","11.654","0.0006","13.4464","0.0007","88.27","0.003","81.119","0.003","76.369","0.003","1419","0.13","102","2","102","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H28 Ag2 N4 O11 S -","- C25 H28 Ag2 N4 O11 S -","- C50 H56 Ag4 N8 O22 S2 -","2","1","","Fedorov, Yu. V.; Fedorova, O. A.; Andryukhina, E. N.; Gromov, S. P.; Alfimov, M. V.; Kuzmina, L. G.; Churakov, A. V.; Howard, J. A. K.; Aaron, J.-J.","Ditopic complex formation of the crown-containing 2-styrylbenzothiazole","New Journal of Chemistry","2003","27","2","280","","10.1039/b205305e","","","0.71073","MoKα","","0.108","0.055","","0.1278","0.1062","","","","1.011","1.116","1.116","","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050401","16.81","0.003","17.682","0.003","24.199","0.004","90","0.014","90","0.014","90","0.014","7193","2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H38 Cl Fe3 N2 O24 -","- C22 H34 Cl Fe3 N2 O24 -","- C176 H272 Cl8 Fe24 N16 O192 -","8","1","","Supriya, Sabbani; Das, Samar K.","A cyclic (H <sub>2</sub> O) <sub>4</sub> cluster characterized in the solid state disappears on heating and regenerates from water vapor: A supramolecular reversible gas–solid reaction","New J. Chem.","2003","27","11","1568","1574","10.1039/B303539P","","","","","","","","","","","","","","","","","","","","","has coordinates","282903","2023-04-28","12:31:17",""
"7050402","14.816","0.003","17.296","0.004","18.66","0.005","90","","106.21","0.03","90","","4592","2","293","2","293","2","","","","","","","synthesis","6","C 1 2/c 1","-C 2yc","15","","","","- C51 H52 Cl2 N2 P2 Ru -","- C51 H52 Cl2 N2 P2 Ru -","- C204 H208 Cl8 N8 P8 Ru4 -","4","0.5","","Crochet, Pascale; Gimeno, José; Borge, Javier; García-Granda, Santiago","Novel ruthenium(ii) complexes containing imino- or aminophosphine ligands for catalytic transfer hydrogenation","New Journal of Chemistry","2003","27","2","414","","10.1039/b206119h","","","0.71073","MoKα","","0.0655","0.0414","","","0.1069","0.1175","","","","","","1.049","","","","has coordinates,has disorder","180058","2020-10-21","18:00:00",""
"7050403","14.539","0.003","12.62","0.002","12.114","0.003","90","","103.4","0.01","90","","2162.2","0.8","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 Mn2 Mo N12 O2 -","- C16 H10 Mn2 Mo N12 O2 -","- C64 H40 Mn8 Mo4 N48 O8 -","4","0.5","","Herrera, Juan Manuel; Armentano, Donatella; de Munno, Giovanni; Lloret, Francesc; Julve, Miguel; Verdaguer, Michel","[Mnii2(bpym)(H2O)8]4+ and [Miv(CN)8]4‒ (M = Mo and W) as building blocks in designing bpym- and cyanide-bridged bimetallic three-dimensional networks (bpym = 2,2'-bipyrimidine)Electronic supplementary information (ESI) available: χMT vs. T for 2. See http://www.rsc.org/suppdata/nj/b2/b206124b/","New Journal of Chemistry","2003","27","1","128","","10.1039/b206124b","","","0.71073","MoKα","","0.0386","0.0326","","","0.0859","0.0877","","","","","","0.997","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7050404","14.542","0.002","12.608","0.002","12.126","0.002","90","","103.46","0.01","90","","2162.2","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H10 Mn2 N12 O2 W -","- C16 H10 Mn2 N12 O2 W -","- C64 H40 Mn8 N48 O8 W4 -","4","0.5","","Herrera, Juan Manuel; Armentano, Donatella; de Munno, Giovanni; Lloret, Francesc; Julve, Miguel; Verdaguer, Michel","[Mnii2(bpym)(H2O)8]4+ and [Miv(CN)8]4‒ (M = Mo and W) as building blocks in designing bpym- and cyanide-bridged bimetallic three-dimensional networks (bpym = 2,2'-bipyrimidine)Electronic supplementary information (ESI) available: χMT vs. T for 2. See http://www.rsc.org/suppdata/nj/b2/b206124b/","New Journal of Chemistry","2003","27","1","128","","10.1039/b206124b","","","0.71073","MoKα","","0.0263","0.0244","","","0.0608","0.0613","","","","","","1.002","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7050405","11.0831","0.0004","12.6428","0.0005","18.4421","0.0007","88.638","0.0011","88.8047","0.0011","68.2782","0.0012","2399.76","0.16","113","","113","","","","","","","","","6","P -1","-P 1","2","","","","- C48 H76 N P3 Ru Si2 -","- C48 H75 N P3 Ru Si2 -","- C96 H150 N2 P6 Ru2 Si4 -","2","1","","Lori A. Watson; Joseph N. Coalter III; Oleg Ozerov; Maren Pink; John C. Huffman; Kenneth G. Caulton","Amido/phosphine pincer hydrides of ruthenium","New J. Chem.","2003","27","2","263","273","10.1039/b206202j","","","0.71073","MoKα","","","0.0461","","","","0.0379","","","","","","0.7811","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050406","14.8336","0.0003","13.018","0.0003","31.9522","0.0007","90","","90","","90","","6170.1","0.2","113","2","113","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C22 H56 Cl N P2 Ru Si2 -","- C22 H56 Cl N P2 Ru Si2 -","- C176 H448 Cl8 N8 P16 Ru8 Si16 -","8","1","","Lori A. Watson; Joseph N. Coalter III; Oleg Ozerov; Maren Pink; John C. Huffman; Kenneth G. Caulton","Amido/phosphine pincer hydrides of ruthenium","New J. Chem.","2003","27","2","263","273","10.1039/b206202j","","","0.71073","MoKα","","0.0506","0.0305","","","0.0685","0.0776","","","","","","1.086","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050407","26.831","0.004","5.9583","0.0008","16.576","0.002","90","","99.967","0.003","90","","2610","0.6","110","2","110","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 N2 O2.5 S -","- C13 H15 N2 O2.5 S -","- C104 H120 N16 O20 S8 -","8","1","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.0428","0.0384","","","0.092","0.0943","","","","","","1.212","","","","has coordinates","274641","2022-04-22","16:38:19",""
"7050408","30.505","0.002","8.0095","0.0005","27.3093","0.0018","90","","123.815","0.003","90","","5543.8","0.7","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H30 N4 O5 S2 Zn -","- C27 H30 N4 O5 S2 Zn -","- C216 H240 N32 O40 S16 Zn8 -","8","1","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.0754","0.0474","","","0.0961","0.107","","","","","","1.07","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7050409","8.2956","0.0008","9.7213","0.001","13.0352","0.0013","93.193","0.004","95.817","0.004","107.145","0.004","995.27","0.17","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H12 F6 N4 O4 S2 Zn -","- C14 H12 F6 N4 O4 S2 Zn -","- C28 H24 F12 N8 O8 S4 Zn2 -","2","1","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.0309","0.0272","","","0.0664","0.0685","","","","","","1.064","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7050410","7.9725","0.0002","9.4317","0.0002","14.7462","0.0004","81.984","0.001","81.13","0.001","81.744","0.001","1076.38","0.05","105","2","105","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16 F6 N4 O4 S2 Zn -","- C16 H16 F6 N4 O4 S2 Zn -","- C32 H32 F12 N8 O8 S4 Zn2 -","2","1","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.032","0.0299","","","0.0835","0.0853","","","","","","1.073","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7050411","13.9278","0.0001","16.1724","0.0001","16.418","0.0001","92.1781","0.0003","104.258","0.0003","103.091","0.0003","3473.77","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H66 Cl6 Cu3 N20 O6 -","- C57 H66 Cl6 Cu3 N20 O6 -","- C114 H132 Cl12 Cu6 N40 O12 -","2","1","","de Hoog, Paul; Gamez, Patrick; Roubeau, Olivier; Lutz, Martin; Driessen, Willem L.; Spek, Anthony L.; Reedijk, Jan","Novel zigzag 1D coordination polymer from copper(ii) chloride and N,N'-{2,4-di[(di-pyridin-2-yl)amine]-1,3,5-triazine}ethylenediamine exhibiting ferromagnetic interactions","New Journal of Chemistry","2003","27","1","18","","10.1039/b206344a","","","0.71073","MoKα","","0.0551","0.0439","","","0.128","0.134","","","","","","1.097","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050412","10.017","0.001","9.245","0.002","11.062","0.001","90","","112.073","0.007","90","","949.3","0.2","296.2","","296.2","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H30 O2 -","- C22 H30 O2 -","- C44 H60 O4 -","2","1","","Banwell, Martin G.; Hockless, David C. R.; McLeod, Malcolm D.","Chemoenzymatic total syntheses of the sesquiterpene (–)-patchoulenoneAspects of this work have been reported in preliminary form: M. Banwell and M. McLeod, Chem. Commun., 1998, 1851.","New Journal of Chemistry","2003","27","1","50","","10.1039/b206372g","","","1.5418","CuKα","","0.108","0.0417","","0.0394","","0.0329","","","1.511","","","1.79","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050413","41.966","0.001","34.575","0.001","9.741","0.001","90","","90","","90","","14133.9","1.5","173","","173","","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C35 H32 Fe N2 O5 P2 -","- C35 H27 Fe N2 O5 P2 -","- C560 H432 Fe16 N32 O80 P32 -","16","1","","Braunstein, Pierre; Clerc, Guislaine; Morise, Xavier","Cyclopropanation and Diels‒Alder reactions catalyzed by the first heterobimetallic complexes with bridging phosphinooxazoline ligands","New Journal of Chemistry","2003","27","1","68","72","10.1039/b206410n","","","0.71073","Mo-Kα","","0.085","0.046","","0.106","","0.079","","","1.802","","","1.361","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7050414","24.4623","0.0007","14.3872","0.0006","12.4708","0.0004","90","","111.598","0.004","90","","4080.9","0.3","173","","173","","","","","","","","","10","C 1 2/m 1","-C 2y","12","Compound 2 1.5 CH2Cl2","","","- C73 H70 B2 Cl6 Cu2 F8 Fe2 N4 O10 P4 -","- C68.5 H64 B Cl3 Cu F6 Fe N4 O7 P4 -","- C137 H128 B2 Cl6 Cu2 F12 Fe2 N8 O14 P8 -","2","0.25","","Braunstein, Pierre; Clerc, Guislaine; Morise, Xavier","Cyclopropanation and Diels‒Alder reactions catalyzed by the first heterobimetallic complexes with bridging phosphinooxazoline ligands","New Journal of Chemistry","2003","27","1","68","72","10.1039/b206410n","","","0.71073","Mo-Kα","","0.066","0.046","","0.062","","0.057","","","1.254","","","1.153","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050415","14.582","0.004","15.677","0.005","25.158","0.008","87.217","0.006","75.768","0.006","78.204","0.007","5457","3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C102 H106 Cl4 Cu4 Mn2 N22 O29 -","- C102 H100 Cl4 Cu4 Mn2 N22 O29 -","- C204 H200 Cl8 Cu8 Mn4 N44 O58 -","2","1","","Liu, Zhi-Liang; Li, Li-Cun; Zhang, Lei; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping","A novel heterospin polynuclear complex containing both macrocyclic and imino nitroxide radical ligands: {[CuL(H2O)](CuL)Mn(IM-2Py)}{[CuL(MeOH)](CuL)Mn(IM-2Py)}(ClO4)4·MeOH","New Journal of Chemistry","2003","27","3","583","","10.1039/b206475h","","","0.71073","MoKα","","0.3005","0.0834","","","0.1701","0.2585","","","","","","0.937","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050416","9.983","0.014","11.145","0.014","27.83","0.04","90","","94.836","0.01","90","","3085","7","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Cl N5 O8 Ru S -","- C25 H36 Cl N5 O8 Ru S -","- C100 H144 Cl4 N20 O32 Ru4 S4 -","4","1","","Pal, Pankaj K.; Drew, Michael G. B.; Datta, Dipankar","Tuning of intramolecular electron transfer between Ru(ii) and the disulfide bond","New Journal of Chemistry","2003","27","2","197","","10.1039/b206476f","","","0.71073","MoKα","","0.1115","0.0769","","","0.2148","0.2379","","","","","","1.033","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050417","10.046","0.014","12.988","0.017","15.224","0.017","68.989","0.01","75.212","0.01","68.217","0.01","1705","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H26 Cl2 N6 O9 Ru S2 -","- C30 H24 Cl2 N6 O9 Ru S2 -","- C60 H48 Cl4 N12 O18 Ru2 S4 -","2","1","","Pal, Pankaj K.; Drew, Michael G. B.; Datta, Dipankar","Tuning of intramolecular electron transfer between Ru(ii) and the disulfide bond","New Journal of Chemistry","2003","27","2","197","","10.1039/b206476f","","","0.71073","MoKα","","0.1647","0.0887","","","0.2518","0.2837","","","","","","1.056","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050418","12.759","0.017","17.05","0.02","19.59","0.02","90","","94.377","0.01","90","","4249","9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 Cl6 N6 O8 Ru S2 -","- C36 H24 Cl6 N6 O8 Ru S2 -","- C144 H96 Cl24 N24 O32 Ru4 S8 -","4","1","","Pal, Pankaj K.; Drew, Michael G. B.; Datta, Dipankar","Tuning of intramolecular electron transfer between Ru(ii) and the disulfide bond","New Journal of Chemistry","2003","27","2","197","","10.1039/b206476f","","","0.71073","MoKα","","0.1466","0.0784","","","0.2244","0.2547","","","","","","1.05","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050419","8.217","0.005","13.703","0.005","16.31","0.005","90","0.005","92.176","0.005","90","0.005","1835.1","1.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H10 Fe2 Mo O6 S2 -","- C16 H10 Fe2 Mo O6 S2 -","- C64 H40 Fe8 Mo4 O24 S8 -","4","1","","Auvray, Nicolas; Braunstein, Pierre; Mathur, Sanjay; Veith, Michael; Shen, Hao; Hüfner, Stefan","Thin films by metal organic deposition of Fe‒Mo‒S molecular clusters: synthesis and crystal structure of [Cp2MoFe2(µ3-S)2(CO)6]","New Journal of Chemistry","2003","27","1","155","","10.1039/b206923g","","","0.71069","MoKα","","0.0522","0.032","","","0.1018","0.1091","","","","","","0.94","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050420","6.9118","0.0002","8.1756","0.0002","21.0256","0.0005","90","","90","","90","","1188.12","0.05","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H20 Cl2 N2 -","- C9 H20 Cl2 N2 -","- C36 H80 Cl8 N8 -","4","1","","Bolm, Carsten; Schiffers, Ingo; Atodiresei, Iuliana; Ozcubukcu, Salih; Raabe, Gerhard","A novel asymmetric synthesis of highly enantiomerically enriched norbornane-type diamine derivatives","New Journal of Chemistry","2003","27","1","14","","10.1039/b206943c","","","0.71073","MoKα","","0.062","0.043","","0.212","","0.048","","","4.385","","","1.076","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050421","5.9188","0.0017","12.03","0.004","11.026","0.003","90","","104.17","0.02","90","","761.2","0.4","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Compound 2","","- C10 H7 N -","- C10 H7 N -","- C40 H28 N4 -","4","1","","Khan, Muhammad S.; Al-Mandhary, Muna R. A.; Al-Suti, Mohammed K.; Corcoran, Timothy C.; Al-Mahrooqi, Yaqoub; Attfield, J. Paul; Feeder, Neil; David, William I. F.; Shankland, Kenneth; Friend, Richard H.; Köhler, Anna; Marseglia, Elisabeth A.; Tedesco, Emilio; Tang, Chiu C.; Raithby, Paul R.; Collings, Jonathan C.; Roscoe, Karl P.; Batsanov, Andrei S.; Stimson, Lorna M.; Marder, Todd B.","Synthesis and optical characterisation of platinum(ii) poly-yne polymers incorporating substituted 1,4-diethynylbenzene derivatives and an investigation of the intermolecular interactions in the diethynylbenzene molecular precursorsElectronic supplementary information (ESI) available: atomic cooordinates for 6 and 7. See http://www.rsc.org/suppdata/nj/b2/b206946f/","New Journal of Chemistry","2003","27","1","140","","10.1039/b206946f","","","1.5412","CuKα","","0.0658","0.0498","","","0.1252","0.1359","","","","","","1.055","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050422","3.878","0.0011","5.947","0.0012","15.8","0.005","90","","93.46","0.03","90","","363.72","0.17","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Compound 3","","- C10 H5 F -","- C10 H5 F -","- C20 H10 F2 -","2","0.5","","Khan, Muhammad S.; Al-Mandhary, Muna R. A.; Al-Suti, Mohammed K.; Corcoran, Timothy C.; Al-Mahrooqi, Yaqoub; Attfield, J. Paul; Feeder, Neil; David, William I. F.; Shankland, Kenneth; Friend, Richard H.; Köhler, Anna; Marseglia, Elisabeth A.; Tedesco, Emilio; Tang, Chiu C.; Raithby, Paul R.; Collings, Jonathan C.; Roscoe, Karl P.; Batsanov, Andrei S.; Stimson, Lorna M.; Marder, Todd B.","Synthesis and optical characterisation of platinum(ii) poly-yne polymers incorporating substituted 1,4-diethynylbenzene derivatives and an investigation of the intermolecular interactions in the diethynylbenzene molecular precursorsElectronic supplementary information (ESI) available: atomic cooordinates for 6 and 7. See http://www.rsc.org/suppdata/nj/b2/b206946f/","New Journal of Chemistry","2003","27","1","140","","10.1039/b206946f","","","1.54178","CuKα","","0.0599","0.0453","","","0.1141","0.1215","","","","","","1.112","","","","has coordinates,has disorder","180058","2020-10-21","18:00:00",""
"7050423","3.8535","0.0007","5.906","0.001","16.221","0.005","90","","95.23","0.03","90","","367.63","0.15","180","2","180","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Compound 4","","- C10 H4 F2 -","- C10 H4 F2 -","- C20 H8 F4 -","2","0.5","","Khan, Muhammad S.; Al-Mandhary, Muna R. A.; Al-Suti, Mohammed K.; Corcoran, Timothy C.; Al-Mahrooqi, Yaqoub; Attfield, J. Paul; Feeder, Neil; David, William I. F.; Shankland, Kenneth; Friend, Richard H.; Köhler, Anna; Marseglia, Elisabeth A.; Tedesco, Emilio; Tang, Chiu C.; Raithby, Paul R.; Collings, Jonathan C.; Roscoe, Karl P.; Batsanov, Andrei S.; Stimson, Lorna M.; Marder, Todd B.","Synthesis and optical characterisation of platinum(ii) poly-yne polymers incorporating substituted 1,4-diethynylbenzene derivatives and an investigation of the intermolecular interactions in the diethynylbenzene molecular precursorsElectronic supplementary information (ESI) available: atomic cooordinates for 6 and 7. See http://www.rsc.org/suppdata/nj/b2/b206946f/","New Journal of Chemistry","2003","27","1","140","","10.1039/b206946f","","","1.54178","CuKα","","0.0303","0.028","","","0.071","0.073","","","","","","1.144","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050424","5.7642","0.0009","11.4632","0.0018","6.112","0.001","90","","99.27","0.02","90","","398.58","0.11","180","2","180","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","Compound 5","","- C10 H2 F4 -","- C10 H2 F4 -","- C20 H4 F8 -","2","0.5","","Khan, Muhammad S.; Al-Mandhary, Muna R. A.; Al-Suti, Mohammed K.; Corcoran, Timothy C.; Al-Mahrooqi, Yaqoub; Attfield, J. Paul; Feeder, Neil; David, William I. F.; Shankland, Kenneth; Friend, Richard H.; Köhler, Anna; Marseglia, Elisabeth A.; Tedesco, Emilio; Tang, Chiu C.; Raithby, Paul R.; Collings, Jonathan C.; Roscoe, Karl P.; Batsanov, Andrei S.; Stimson, Lorna M.; Marder, Todd B.","Synthesis and optical characterisation of platinum(ii) poly-yne polymers incorporating substituted 1,4-diethynylbenzene derivatives and an investigation of the intermolecular interactions in the diethynylbenzene molecular precursorsElectronic supplementary information (ESI) available: atomic cooordinates for 6 and 7. See http://www.rsc.org/suppdata/nj/b2/b206946f/","New Journal of Chemistry","2003","27","1","140","","10.1039/b206946f","","","1.54178","CuKα","","0.078","0.0353","","","0.0717","0.0834","","","","","","1.086","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050425","15.32","0.03","20.7","0.03","18.71","0.03","90","","96.19","0.01","90","","5899","17","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C28.5 H25 Cl2 Cu N6 O4 -","- C28.5 H25 Cl2 Cu N6 O4 -","- C228 H200 Cl16 Cu8 N48 O32 -","8","2","","Chowdhury, Shubhamoy; Iveson, Peter B.; Drew, Michael G. B.; Tocher, Derek A.; Datta, Dipankar","A novel copper(i) complex that is a monomeric single helix in solid state but a dimeric double helix in solution","New Journal of Chemistry","2003","27","2","193","","10.1039/b207057j","","","0.71073","MoKα","","0.2344","0.0907","","","0.1916","0.2517","","","","","","1.008","","","","has coordinates,has disorder","301851","2025-08-21","20:32:33",""
"7050426","28.01","0.04","15.3","0.02","20.37","0.03","90","","127.937","0.01","90","","6885","17","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H28 Ag Cl N6 O6 -","- C28 H24 Ag Cl N6 O5.98 -","- C224 H192 Ag8 Cl8 N48 O47.84 -","8","1","","Chowdhury, Shubhamoy; Iveson, Peter B.; Drew, Michael G. B.; Tocher, Derek A.; Datta, Dipankar","A novel copper(i) complex that is a monomeric single helix in solid state but a dimeric double helix in solution","New Journal of Chemistry","2003","27","2","193","","10.1039/b207057j","","","0.71073","MoKα","","0.1298","0.0756","","","0.2224","0.2586","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050427","10.5048","0.0008","10.1302","0.0006","18.3692","0.0013","90","","104.724","0.009","90","","1890.6","0.2","200","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,2-bis(1H-benzimidazolonium-2-yl)ethane tetrachlorocobaltate(II)","","- C16 H16 Cl4 Co N4 -","- C16 H16 Cl4 Co N4 -","- C64 H64 Cl16 Co4 N16 -","4","0.5","","Matthews, Craig J.; Broughton, Vanessa; Bernardinelli, Gérald; Melich, Xavier; Brand, Guy; Willis, Anthony C.; Williams, Alan F.","Molecular bricklaying: the protonated benzimidazole moiety as a synthon for crystal engineering","New Journal of Chemistry","2003","27","2","354","","10.1039/b207073a","","","0.71073","MoKα","","","0.033","","","","0.039","","","","","","1.942","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050428","10.6142","0.0006","10.2541","0.0009","18.4091","0.0011","90","","105.005","0.007","90","","1935.3","0.2","250","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1,2-bis(1H-benzimidazolonium-2-yl)ethane tetrachloromanganate(II)","","- C16 H16 Cl4 Mn N4 -","- C16 H16 Cl4 Mn N4 -","- C64 H64 Cl16 Mn4 N16 -","4","0.5","","Matthews, Craig J.; Broughton, Vanessa; Bernardinelli, Gérald; Melich, Xavier; Brand, Guy; Willis, Anthony C.; Williams, Alan F.","Molecular bricklaying: the protonated benzimidazole moiety as a synthon for crystal engineering","New Journal of Chemistry","2003","27","2","354","","10.1039/b207073a","","","0.71073","MoKα","","","0.028","","","","0.032","","","","","","1.463","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050429","17.1984","0.0013","17.9232","0.0009","7.1133","0.0005","90","","101.599","0.008","90","","2147.9","0.3","200","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,2-bis(1H-benzimidazolonium-2-yl)ethane tetrachlorocuprate(II) methanol solvate.","","- C17 H20 Cl4 Cu N4 O -","- C17 H20 Cl4 Cu N4 O -","- C68 H80 Cl16 Cu4 N16 O4 -","4","1","","Matthews, Craig J.; Broughton, Vanessa; Bernardinelli, Gérald; Melich, Xavier; Brand, Guy; Willis, Anthony C.; Williams, Alan F.","Molecular bricklaying: the protonated benzimidazole moiety as a synthon for crystal engineering","New Journal of Chemistry","2003","27","2","354","","10.1039/b207073a","","","0.71073","MoKα","","","0.035","","","","0.036","","","","","","1.791","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050430","7.6181","0.0005","14.6719","0.0007","18.3996","0.0013","90","","93.294","0.008","90","","2053.2","0.2","293","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,2-bis(1H-benzimidazolonium-2-yl)propane tetrachlorocobaltate(II)","","- C17 H18 Cl4 Co N4 -","- C17 H18 Cl4 Co N4 -","- C68 H72 Cl16 Co4 N16 -","4","1","","Matthews, Craig J.; Broughton, Vanessa; Bernardinelli, Gérald; Melich, Xavier; Brand, Guy; Willis, Anthony C.; Williams, Alan F.","Molecular bricklaying: the protonated benzimidazole moiety as a synthon for crystal engineering","New Journal of Chemistry","2003","27","2","354","","10.1039/b207073a","","","0.71073","MoKα","","","0.026","","","","0.028","","","","","","1.372","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050431","18.468","0.003","7.214","0.002","15.603","0.003","90","","91.87","0.02","90","","2077.7","0.8","296.2","","296.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C96 H96 N16 O8 -","8","1","","George, Sumod; Nangia, Ashwini; Bagieu-Beucher, Muriel; Masse, René; Nicoud, Jean-François","Crystal engineering of two-dimensional polar layer structures: hydrogen bond networks in some N-meta-phenylpyrimidinones","New Journal of Chemistry","2003","27","3","568","","10.1039/b207090a","","","0.7107","MoKα","","0.0486","0.049","","0.061","","0.061","","","2.809","","","2.81","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050432","10.1248","0.0007","17.625","0.002","11.9239","0.0012","90","","90","0.3","90","","2127.8","0.4","273.2","","273.2","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C96 H96 N16 O8 -","8","1","","George, Sumod; Nangia, Ashwini; Bagieu-Beucher, Muriel; Masse, René; Nicoud, Jean-François","Crystal engineering of two-dimensional polar layer structures: hydrogen bond networks in some N-meta-phenylpyrimidinones","New Journal of Chemistry","2003","27","3","568","","10.1039/b207090a","","","0.5608","AgKα","","0.0638","0.064","","0.053","","0.053","","","1.682","","","1.68","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050433","9.674","0.003","16.94","0.004","6.157","0.001","90","","101.6","0.02","90","","988.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C12 H16 Fe2 N4 O13 -","- C12 H6 Fe2 N4 O13 -","- C24 H12 Fe4 N8 O26 -","2","0.25","","Armentano, Donatella; de Munno, Giovanni; Lloret, Francesc; Julve, Miguel; Curély, Jacques; Babb, Amy M.; Lu, Jack Y.","Oxalate and 2,2'-bipyrimidine as bis-chelating ligands in the honeycomb layered compound {[Fe2(bpym)(ox)2]·5H2O}n","New Journal of Chemistry","2003","27","1","161","","10.1039/b207241f","","","0.71073","MoKα","","0.068","0.0482","","","0.1006","0.1092","","","","","","1.043","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7050434","12.688","0.0018","12.853","0.011","18.6","0.03","72.04","0.09","79.76","0.12","62.95","0.09","2567","5","293","2","293","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C12 H37 Mo12 N6 O49 P -","- C12 H15 Mo12 N6 O49 P -","- C24 H30 Mo24 N12 O98 P2 -","2","1","","Vitoria, Pablo; Ugalde, María; Gutiérrez-Zorrilla, Juan M.; Román, Pascual; Luque, Antonio; San Felices, Leire; García-Tojal, Javier","Organic‒inorganic hybrids based on four-electron reduced Keggin β-isomer phosphododecamolybdates and diazines","New Journal of Chemistry","2003","27","2","399","","10.1039/b207243b","","x-ray","0.7107","MoKα","","0.0553","0.0482","","","0.132","0.1343","","","","","","1.214","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050435","17.149","0.003","12.0363","0.0017","27.041","0.005","90","","107.92","0.02","90","","5310.8","1.7","293","2","","","","","","","","","see text","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H39 Mo12 N6 O50 P -","- C12 H14 Mo12 N6 O50 P -","- C48 H56 Mo48 N24 O200 P4 -","4","1","","Vitoria, Pablo; Ugalde, María; Gutiérrez-Zorrilla, Juan M.; Román, Pascual; Luque, Antonio; San Felices, Leire; García-Tojal, Javier","Organic‒inorganic hybrids based on four-electron reduced Keggin β-isomer phosphododecamolybdates and diazines","New Journal of Chemistry","2003","27","2","399","","10.1039/b207243b","","","0.71073","MoKα","","","0.1056","","","","0.2872","","","","","","1.049","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050436","10.182","0.001","21.356","0.003","21.703","0.003","90","","100.55","0.01","90","","4639.5","1","293","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H27 Mo12 N5 O45 P -","- C10 H12 Mo12 N5 O45 P -","- C40 H48 Mo48 N20 O180 P4 -","4","1","","Vitoria, Pablo; Ugalde, María; Gutiérrez-Zorrilla, Juan M.; Román, Pascual; Luque, Antonio; San Felices, Leire; García-Tojal, Javier","Organic‒inorganic hybrids based on four-electron reduced Keggin β-isomer phosphododecamolybdates and diazines","New Journal of Chemistry","2003","27","2","399","","10.1039/b207243b","","x-ray","0.7107","MoKα","","0.0691","0.0494","","","0.1336","0.1393","","","","","","1.092","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050437","19.4095","0.0004","24.4145","0.0005","15.8976","0.0002","90","","109.026","0.001","90","","7121.9","0.2","123","1","123","1","","","","","","","see text","3","C 1 2 1","C 2y","5","","","","- C97 H208 O97 -","- C97 H158 O96.5 -","- C194 H316 O193 -","2","0.5","","Braga, Susana S.; Gonçalves, Isabel S.; Herdtweck, E.; Teixeira-Dias, José J. C.","Solid state inclusion compound of S-ibuprofen in β-cyclodextrin: structure and characterisationElectronic supplementary information (ESI) available: crystal and data collection parameters and relevant O⋯O contacts (divided in six different groups) for βCD∶S-Ibu. See: http://www.rsc.org/suppdata/nj/b2/b207272f/","New Journal of Chemistry","2003","27","3","597","","10.1039/b207272f","","","0.71073","MoKα","","0.0726","0.0717","","","0.1951","0.1968","","","","","","1.022","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050438","7.465","0.0015","7.8137","0.0016","9.6921","0.0019","73.16","0.004","68.71","0.003","87.818","0.004","502.73","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H30 N2 O14 -","- C12 H30 N2 O14 -","- C12 H30 N2 O14 -","1","0.5","","Calleja, Maria; Mason, Sax A.; Prince, Paul D.; Steed, Jonathan W.; Wilkinson, Clive","Anisotropic thermal expansion in 18-crown-6·2 H2O·2 HNO3","New Journal of Chemistry","2003","27","1","28","","10.1039/b207292k","","","0.71073","MoKα","","0.0493","0.0367","","","0.0803","0.084","","","","","","1.054","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050439","7.56","0.0015","7.9619","0.0015","9.7801","0.0017","73.314","0.006","67.323","0.007","87.935","0.008","518.44","0.17","250","2","250","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H30 N2 O14 -","- C12 H30 N2 O14 -","- C12 H30 N2 O14 -","1","0.5","","Calleja, Maria; Mason, Sax A.; Prince, Paul D.; Steed, Jonathan W.; Wilkinson, Clive","Anisotropic thermal expansion in 18-crown-6·2 H2O·2 HNO3","New Journal of Chemistry","2003","27","1","28","","10.1039/b207292k","","neutron","0.839","neutron","","0.0534","0.0352","","","0.0683","0.0772","","","","","","1.091","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050440","14.806","0.003","19.827","0.004","12.186","0.003","92.49","0.01","113.65","0.02","81.35","0.01","3239","1.3","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","?","- C73 H72 Cl3 N4 O4 -","- C146 H144 Cl6 N8 O8 -","2","1","","Simaan, Samah; Agbaria, Kasim; Thondorf, Iris; Biali, Silvio E.","Conformation of syn- and anti-phenylquinazoline calix[4]arene diethers","New Journal of Chemistry","2003","27","2","236","","10.1039/b207533d","","","0.7107","MoKalpha","","","0.095","","","0.108","","","","","3.11","3.11","","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050441","13.031","0.005","13.368","0.005","11.333","0.004","108.68","0.02","111.11","0.02","61.57","0.02","1592.7","1.1","293.2","","293.2","","","","","","","","","5","P -1","-P 1","2","","","","?","- C37 H36 Cl2 N2 O2 -","- C74 H72 Cl4 N4 O4 -","2","1","","Simaan, Samah; Agbaria, Kasim; Thondorf, Iris; Biali, Silvio E.","Conformation of syn- and anti-phenylquinazoline calix[4]arene diethers","New Journal of Chemistry","2003","27","2","236","","10.1039/b207533d","","","0.7107","MoKalpha","","","0.089","","","0.116","","","","","2.11","2.11","","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050442","23.363","0.0001","8.554","0.0001","10.984","0.0002","90","","90","","90","","2195.12","0.05","100","2","100","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C17 H30 Cl F4 N Ni P2 -","- C17 H30 Cl F4 N Ni P2 -","- C68 H120 Cl4 F16 N4 Ni4 P8 -","4","1","","Sladek, Marianna I.; Braun, Thomas; Neumann, Beate; Stammler, Hans-Georg","3-Fluoropyridyl nickel complexes as useful tools for the selective synthesis of new 2,4,5,6-tetrafluoropyridines: a route complementing the established methods to access fluorinated pyridines","New Journal of Chemistry","2003","27","2","313","","10.1039/b207943g","","","0.71073","MoKα","","0.0216","0.0205","","","0.0508","0.0513","","","","","","1.042","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050443","23.461","0.0003","8.722","0.0004","10.868","0.0009","90","","90","","90","","2223.9","0.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C18 H33 F4 N Ni P2 -","- C18 H33 F4 N Ni P2 -","- C72 H132 F16 N4 Ni4 P8 -","4","1","","Sladek, Marianna I.; Braun, Thomas; Neumann, Beate; Stammler, Hans-Georg","3-Fluoropyridyl nickel complexes as useful tools for the selective synthesis of new 2,4,5,6-tetrafluoropyridines: a route complementing the established methods to access fluorinated pyridines","New Journal of Chemistry","2003","27","2","313","","10.1039/b207943g","","","0.71073","MoKα","","0.0521","0.0337","","","0.0762","0.0846","","","","","","1.087","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050444","14.65","0.003","16.525","0.003","18.089","0.004","90","","90","","90","","4379.2","1.5","294","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H18 I3 P -","- C19 H18 I3 P -","- C152 H144 I24 P8 -","8","1","","Chow, Hong; Dean, Philip A. W.; Craig, Donald C.; Lucas, Nigel T.; Scudder, Marcia L.; Dance, Ian G.","The subtle tetramorphism of MePh3P+I3–","New Journal of Chemistry","2003","27","4","704","","10.1039/b208112a","","","0.71073","MoKα","","","0.046","","","","0.05","","","","","","1.32","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050445","11.957","0.007","12.089","0.008","16.199","0.009","87.5","0.03","75.27","0.03","69.4","0.03","2117","2","294","","","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 I3 P -","- C19 H18 I3 P -","- C76 H72 I12 P4 -","4","2","","Chow, Hong; Dean, Philip A. W.; Craig, Donald C.; Lucas, Nigel T.; Scudder, Marcia L.; Dance, Ian G.","The subtle tetramorphism of MePh3P+I3–","New Journal of Chemistry","2003","27","4","704","","10.1039/b208112a","","","0.71073","MoKα","","","0.048","","","","0.062","","","","","","1.62","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050446","19.77","0.008","11.978","0.003","18.715","0.008","90","","107.1","0.03","90","","4236","3","294","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 I3 P -","- C19 H18 I3 P -","- C152 H144 I24 P8 -","8","2","","Chow, Hong; Dean, Philip A. W.; Craig, Donald C.; Lucas, Nigel T.; Scudder, Marcia L.; Dance, Ian G.","The subtle tetramorphism of MePh3P+I3–","New Journal of Chemistry","2003","27","4","704","","10.1039/b208112a","","","0.71073","MoKα","","","0.068","","","","0.083","","","","","","1.84","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050447","11.9142","0.0007","37.93","0.002","11.4083","0.0007","90","","115.129","0.001","90","","4667.5","0.5","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H66 O13 Ti3 -","- C38 H66 O13 Ti3 -","- C152 H264 O52 Ti12 -","4","1","","Mijatovic, Ivan; Kickelbick, Guido; Puchberger, Michael; Schubert, Ulrich","Preservation of the cluster core upon formation of Ti3O(OPri)8(benzoate)2 from Ti3O(OR)10","New Journal of Chemistry","2003","27","1","3","","10.1039/b208255a","","","0.71073","MoKα","","0.0655","0.0517","","","0.1178","0.1242","","","","","","1.061","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050448","43.363","0.0016","5.873","0.0002","16.173","0.0008","90","","100.367","0.002","90","","4051.6","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H27 N3 S16 -","- C29 H27 N3 S16 -","- C116 H108 N12 S64 -","4","0.5","","Bouguessa, Sabrina; Hervé, Katel; Golhen, Stéphane; Ouahab, Lahcène; Fabre, Jean-Marc","Synthesis, redox behaviour and X-ray structure of bis-TTF containing a pyridine unit as a potential building block in the construction of conducting magnetic materials","New Journal of Chemistry","2003","27","3","560","","10.1039/b208624g","","","0.71073","MoKα","","0.1155","0.0647","","","0.1784","0.2141","","","","","","1.044","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050449","13.389","0.0014","16.3111","0.0016","10.999","0.0011","90","","91.352","0.002","90","","2401.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 Cu3 N8 O18 -","- C42 H48 Cu3 N8 O18 -","- C84 H96 Cu6 N16 O36 -","2","0.5","","Sain, Saugata; Kumar Maji, Tapas; Mostafa, Golam; Lu, Tian-Huey; Ray Chaudhuri, Nirmalendu","A novel layered and pillared topology in a 3D open framework: synthesis, crystal structure and magnetic propertiesElectronic supplementary information (ESI) available: Fig. S1: showing the brick-walled shaped view of the [{Cu3(malonate)2(H2O)2}]n layer; Fig. S2: space-filled diagram showing channels viewed down x-axis. See http://www.rsc.org/suppdata/nj/b2/b208650f/","New Journal of Chemistry","2003","27","2","185","","10.1039/b208650f","","","0.71073","MoKα","","0.109","0.0479","","","0.0965","0.111","","","","","","0.891","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050450","6.8309","0.0005","16.047","0.0013","22.8001","0.0011","90","","90","","90","","2499.2","0.3","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","CTA/An","cyclohexane-1,3cis,5cis-tricaboxylic acid–acetonitrile(1/1)'","","- C11 H15 N O6 -","- C11 H15 N O6 -","- C88 H120 N8 O48 -","8","1","","Shan, Ning; Bond, Andrew D.; Jones, William","Supramolecular architectures of cyclohexane-1, 3cis, 5cis-tricarboxylic acid in acid∶base complexes","New Journal of Chemistry","2003","27","2","365","","10.1039/b208686g","","","0.71069","MoKα","","0.095","0.0535","","","0.1164","0.1369","","","","","","1.04","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050451","8.8501","0.0005","11.0316","0.0008","11.8635","0.0007","90.185","0.003","95.174","0.004","92.475","0.004","1152.42","0.13","180","2","180","2","","","","","","","","4","P -1","-P 1","2","CTA/oPh/2MeOH","cyclohexane-1,3cis,5cis-tricaboxylic acid– 1,10-phenathroline–methonal(1/1/2)'","","- C23 H28 N2 O8 -","- C23 H28 N2 O8 -","- C46 H56 N4 O16 -","2","1","","Shan, Ning; Bond, Andrew D.; Jones, William","Supramolecular architectures of cyclohexane-1, 3cis, 5cis-tricarboxylic acid in acid∶base complexes","New Journal of Chemistry","2003","27","2","365","","10.1039/b208686g","","","0.71073","MoKα","","0.0601","0.0448","","","0.111","0.1216","","","","","","1.016","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050452","5.625","0.0002","23.8851","0.0018","11.2217","0.0009","90","","100.109","0.005","90","","1484.27","0.17","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CTA/APY","cyclohexane-1,3cis,5cis-tricaboxylic acid– 2-aminopyrimidine (1/1)","","- C13 H17 N3 O6 -","- C13 H17 N3 O6 -","- C52 H68 N12 O24 -","4","1","","Shan, Ning; Bond, Andrew D.; Jones, William","Supramolecular architectures of cyclohexane-1, 3cis, 5cis-tricarboxylic acid in acid∶base complexes","New Journal of Chemistry","2003","27","2","365","","10.1039/b208686g","","","0.71073","MoKα","","0.0697","0.0445","","","0.1021","0.1116","","","","","","1.025","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050453","10.9547","0.0004","14.4867","0.0006","10.4289","0.0004","90","","93.987","0.002","90","","1651.03","0.11","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","CTA/HMTA","cyclohexane-1,3cis,5cis-tricaboxylic acid– hexamethylenetetramine(1/1)","","- C15 H24 N4 O6 -","- C15 H24 N4 O6 -","- C60 H96 N16 O24 -","4","1","","Shan, Ning; Bond, Andrew D.; Jones, William","Supramolecular architectures of cyclohexane-1, 3cis, 5cis-tricarboxylic acid in acid∶base complexes","New Journal of Chemistry","2003","27","2","365","","10.1039/b208686g","","","0.71073","MoKα","","0.0603","0.0449","","","0.124","0.1332","","","","","","1.101","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050454","9.3399","0.0009","11.1211","0.0012","23.606","0.002","89.342","0.012","85.858","0.011","75.866","0.012","2371.5","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H19 N2 O S -","- C17 H18.3333 N2 O S -","- C102 H110 N12 O6 S6 -","6","3","","Coronado, Eugenio; Giménez-Saiz, Carlos; Nicolas, Mael; Romero, Francisco M.; Rusanov, Eduard; Stoeckli-Evans, Helen","Synthesis, crystal structures and electronic properties of imidazoline nitroxide radicals bearing active groups in electropolymerisation","New Journal of Chemistry","2003","27","3","490","","10.1039/b208762f","","","0.71073","MoKα","","0.1332","0.0538","","","0.1139","0.1344","","","","","","0.789","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050455","10.1447","0.0008","13.1725","0.0008","11.4922","0.0008","90","","114.697","0.008","90","","1395.24","0.19","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 N3 O2 -","- C15 H18 N3 O2 -","- C60 H72 N12 O8 -","4","1","","Coronado, Eugenio; Giménez-Saiz, Carlos; Nicolas, Mael; Romero, Francisco M.; Rusanov, Eduard; Stoeckli-Evans, Helen","Synthesis, crystal structures and electronic properties of imidazoline nitroxide radicals bearing active groups in electropolymerisation","New Journal of Chemistry","2003","27","3","490","","10.1039/b208762f","","","0.71073","MoKα","","0.0466","0.03","","","0.0815","0.0921","","","","","","0.654","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050456","23.949","0.002","8.2983","0.0009","12.3808","0.0013","90","","105.442","0.002","90","","2371.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C11 H15 N2 O2 S -","- C11 H15 N2 O2 S -","- C88 H120 N16 O16 S8 -","8","1","","Coronado, Eugenio; Giménez-Saiz, Carlos; Nicolas, Mael; Romero, Francisco M.; Rusanov, Eduard; Stoeckli-Evans, Helen","Synthesis, crystal structures and electronic properties of imidazoline nitroxide radicals bearing active groups in electropolymerisation","New Journal of Chemistry","2003","27","3","490","","10.1039/b208762f","","","0.71069","MoKα","","0.0537","0.0439","","","0.1214","0.1316","","","","","","1.032","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050457","6.1174","0.0007","6.6674","0.0007","11.3145","0.0011","90","","90","","90","","461.49","0.08","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C2 H3 Cl O S -","- C2 H3 Cl O S -","- C8 H12 Cl4 O4 S4 -","4","0.5","","Romano, Rosana M.; Della Védova, Carlos O.; Downs, Anthony J.; Parsons, Simon; Smith, Caroline","Structural and vibrational properties of ClC(O)SY compounds with Y = Cl and CH3","New Journal of Chemistry","2003","27","3","514","","10.1039/b209005h","","","0.71073","MoKα","","0.0192","0.0181","","","0.046","0.0466","","","","","","1.12","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050458","6.034","0.003","10.311","0.006","7.226","0.009","90","","99.72","0.06","90","","443.1","0.7","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C Cl2 O S -","- C Cl2 O S -","- C4 Cl8 O4 S4 -","4","1","","Romano, Rosana M.; Della Védova, Carlos O.; Downs, Anthony J.; Parsons, Simon; Smith, Caroline","Structural and vibrational properties of ClC(O)SY compounds with Y = Cl and CH3","New Journal of Chemistry","2003","27","3","514","","10.1039/b209005h","","","0.71073","MoKα","","0.0956","0.066","","","0.165","0.1859","","","","","","1.07","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050459","13.117","0.002","16.848","0.003","13.008","0.006","112.21","0.02","95.65","0.02","83.44","0.01","2639.2","1.4","","","298","","","","","","","","Local laboratory","7","P -1","-P 1","2","","","","- C47 H64 I K N6 O9 S2 -","- C47 H64 I K N6 O9 S2 -","- C94 H128 I2 K2 N12 O18 S4 -","2","1","","Tozawa, Tomokazu; Tachikawa, Tatsuya; Tokita, Sumio; Kubo, Yuji","Chirality induction in a dibenzo-30-crown-10 congener promoted by an ion-pair coordinated self-assembly","New Journal of Chemistry","2003","27","2","221","","10.1039/b209033c","","","0.71073","MoKα","","0.204","0.076","","0.095","0.053","0.03","","","2.513","2.311","2.311","2.311","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050460","11.849","0.007","12.894","0.003","14.747","0.006","66.36","0.03","73.83","0.04","72.44","0.03","1935.5","1.6","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C41 H49 F N2 O7 S -","- C41 H49 F N2 O7 S -","- C82 H98 F2 N4 O14 S2 -","2","1","","Cossy, Janine; Mirguet, Olivier; Pardo, Domingo Gomez; Desmurs, Jean-Roger","Diastereoselective conjugate addition of organocuprates to chiral racemic olefinic amido esters. Formal total synthesis of paroxetine","New Journal of Chemistry","2003","27","3","475","","10.1039/b209181j","","","0.71069","MoKα","","","0.0549","","","0.067","","","","","1.1397","1.1397","","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050461","18.963","0.002","10.2805","0.0012","24.556","0.003","90","","100.16","0.002","90","","4712.1","0.9","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H30 B Ir N6 O -","- C23 H30 B Ir N6 O -","- C184 H240 B8 Ir8 N48 O8 -","8","1","","Santos, Laura L.; Mereiter, Kurt; Paneque, Margarita; Slugovc, Christian; Carmona, Ernesto","C‒H bond activation reactions by TpMe2Ir(iii) centres. Generation of Fischer-type carbenes and development of a catalytic system for H/D exchange","New Journal of Chemistry","2003","27","1","107","","10.1039/b209324c","","","0.71073","MoKα","","0.0242","0.0188","","","0.0386","0.04","","","","","","1.094","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050462","5.201","0.0007","8.8753","0.0013","9.2841","0.0013","62.449","0.002","75.388","0.002","81.657","0.003","367.47","0.09","298","2","298","2","","","","","","","","4","P -1","-P 1","2","5-Nitrosalicylic acid","5-Nitrosalicylic acid","","- C7 H5 N O5 -","- C7 H5 N O5 -","- C14 H10 N2 O10 -","2","1","","Senthil Kumar, V. S.; Nangia, Ashwini; Kirchner, Michael T.; Boese, Roland","Supramolecular synthesis of brick wall and honeycomb networks from the T-shaped molecule 5-nitrosalicylic acid","New Journal of Chemistry","2003","27","2","224","","10.1039/b209350b","","","0.71073","MoKα","","0.0615","0.0583","","","0.1693","0.1802","","","","","","1.077","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050463","5.3656","0.0011","22.995","0.005","7.9984","0.0016","90","","90.79","0.03","90","","986.8","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Dioxane solvate of 5-Nitrosalicylic acid","Dioxane solvate of 5-Nitrosalicylic acid","","- C9 H9 N O6 -","- C9 H9 N O6 -","- C36 H36 N4 O24 -","4","1","","Senthil Kumar, V. S.; Nangia, Ashwini; Kirchner, Michael T.; Boese, Roland","Supramolecular synthesis of brick wall and honeycomb networks from the T-shaped molecule 5-nitrosalicylic acid","New Journal of Chemistry","2003","27","2","224","","10.1039/b209350b","","","0.71073","MoKα","","0.0643","0.0343","","","0.0854","0.1038","","","","","","1.078","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050464","10.358","0.008","7.68","0.005","23.191","0.017","90","","102.903","0.01","90","","1798","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H20 Cu N9 O3 -","- C13 H20 Cu N9 O3 -","- C52 H80 Cu4 N36 O12 -","4","1","","Li, Licun; Liu, Zhiliang; Turner, Scott S.; Liao, Daizheng; Jiang, Zonghui; Yan, Shiping","The first one-dimensional copper(ii)-radical system with alternating double end-on and end-to-end azido bridges","New Journal of Chemistry","2003","27","4","752","","10.1039/b209397a","","","0.71073","MoKα","","0.1377","0.0501","","","0.0836","0.1076","","","","","","0.974","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050465","16.553","0.002","10.5323","0.0015","17.341","0.003","90","","104.43","0.003","90","","2927.9","0.7","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C27 H22 Co N4 O10 P2 V2 -","- C27 H22 Co N4 O10 P2 V2 -","- C108 H88 Co4 N16 O40 P8 V8 -","4","0.5","","Fu, Rui-Biao; Hu, Sheng-Min; Fu, Zhi-Yong; Zhang, Jian-Jun; Wu, Xin-Tao","Hydrothermal synthesis and crystal structure of two hetero-transition metal polymers: [Co(1,10-phen)2(V2O4) (O3PCH2CH2CH2PO3)]n and [{Co(1,10-phen)2}2(V4O10) (O3PCH2CH2CH2CH2PO3)(2H2O)]n","New Journal of Chemistry","2003","27","2","230","","10.1039/b209564e","","","0.71073","MoKα","","0.094","0.057","","","0.1306","0.1525","","","","","","1.071","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050466","10.2132","0.0003","11.7055","0.0005","12.3666","0.0005","75.594","0.002","82.445","0.002","86.071","0.002","1418.53","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C52 H44 Co2 N8 O18 P2 V4 -","- C52 H40 Co2 N8 O18 P2 V4 -","- C52 H40 Co2 N8 O18 P2 V4 -","1","0.5","","Fu, Rui-Biao; Hu, Sheng-Min; Fu, Zhi-Yong; Zhang, Jian-Jun; Wu, Xin-Tao","Hydrothermal synthesis and crystal structure of two hetero-transition metal polymers: [Co(1,10-phen)2(V2O4) (O3PCH2CH2CH2PO3)]n and [{Co(1,10-phen)2}2(V4O10) (O3PCH2CH2CH2CH2PO3)(2H2O)]n","New Journal of Chemistry","2003","27","2","230","","10.1039/b209564e","","","0.71073","MoKα","","0.0872","0.0567","","","0.1029","0.1197","","","","","","1.106","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050467","11.884","0.001","9.501","0.001","19.445","0.002","90","","105.11","0.02","90","","2119.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Ag Cl N12 O4 -","- C16 H12 Ag Cl N12 O4 -","- C64 H48 Ag4 Cl4 N48 O16 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","Silver(i) polymeric coordination frameworks assembled with the new multimodal ligand 2,2'-azobispyrazine","New Journal of Chemistry","2003","27","3","483","","10.1039/b209580g","","","0.71073","MoKα","","0.0272","0.0226","","0.0531","0.0523","","","","0.925","","","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050468","14.944","0.002","12.364","0.002","15.211","0.003","90","","118.5","0.02","90","","2469.9","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16.5 H13 Ag Cl F6 N12 Sb -","- C16.5 H13 Ag Cl F6 N12 Sb -","- C66 H52 Ag4 Cl4 F24 N48 Sb4 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","Silver(i) polymeric coordination frameworks assembled with the new multimodal ligand 2,2'-azobispyrazine","New Journal of Chemistry","2003","27","3","483","","10.1039/b209580g","","","0.71073","MoKα","","0.1114","0.046","","0.1125","0.1008","","","","1.258","","","","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050469","10.451","0.002","9.45","0.002","24.193","0.006","90","","90","","90","","2389.3","0.9","293","2","293","2","","","","","","","","7","P n 21 a","P -2ac -2n","33","","","","- C8 H8 Ag2 B2 F8 N6 O -","- C8 H6 Ag2 B2 F8 N6 O -","- C32 H24 Ag8 B8 F32 N24 O4 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","Silver(i) polymeric coordination frameworks assembled with the new multimodal ligand 2,2'-azobispyrazine","New Journal of Chemistry","2003","27","3","483","","10.1039/b209580g","","","0.71073","MoKα","","0.1259","0.0981","","0.2959","0.2773","","","","1.136","","","","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050470","7.788","0.0013","14.259","0.002","36.544","0.006","90","","90","","90","","4058.2","1.1","293","2","293","2","","","","","","","","6","P b c 21","P 2c -2b","29","","","","- C24 H18 Ag4 Cl4 N18 O16 -","- C24 H18 Ag4 Cl4 N18 O16 -","- C96 H72 Ag16 Cl16 N72 O64 -","4","1","","Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.; Rizzato, Silvia","Silver(i) polymeric coordination frameworks assembled with the new multimodal ligand 2,2'-azobispyrazine","New Journal of Chemistry","2003","27","3","483","","10.1039/b209580g","","","0.71073","MoKα","","0.0976","0.0876","","0.2495","0.2403","","","","1.08","","","","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050471","28.368","0.005","26.078","0.004","11.095","0.0018","90","","90","","90","","8208","2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C84 H68 La N12 -","- C84 La N12 -","- C336 La4 N48 -","4","0.5","","Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang","Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands","New Journal of Chemistry","2003","27","5","844","","10.1039/b209882m","","","0.71073","MoKα","","0.2083","0.0605","","","0.1152","0.1694","","","","","","0.882","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050472","29.062","0.008","26.502","0.007","10.962","0.003","90","","90","","90","","8443","4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C45 H38 N4 O0.25 Pr0.5 -","- C45 H38 N4 O0.25 Pr0.5 -","- C360 H304 N32 O2 Pr4 -","8","1","","Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang","Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands","New Journal of Chemistry","2003","27","5","844","","10.1039/b209882m","","","0.71073","MoKα","","0.1196","0.0736","","","0.1714","0.1949","","","","","","1.115","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7050473","28.618","0.008","26.329","0.008","10.987","0.003","90","","90","","90","","8279","4","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C90 H76 N8 Nd O0.5 -","- C88 H72 N8 Nd -","- C352 H288 N32 Nd4 -","4","0.5","","Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang","Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands","New Journal of Chemistry","2003","27","5","844","","10.1039/b209882m","","","0.71073","MoKα","","0.1205","0.0843","","","0.1809","0.1973","","","","","","1.186","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7050474","28.55","0.004","26.489","0.003","10.9353","0.0014","90","","90","","90","","8269.9","1.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C84 H68 N12 Tb -","- C84 N12 Tb -","- C336 N48 Tb4 -","4","0.5","","Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang","Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands","New Journal of Chemistry","2003","27","5","844","","10.1039/b209882m","","","0.71073","MoKα","","0.1155","0.0521","","","0.1153","0.1424","","","","","","0.937","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050475","28.589","0.013","26.655","0.013","10.922","0.005","90","","90","","90","","8323","7","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C84 H68 Dy N12 -","- C84 Dy N12 -","- C336 Dy4 N48 -","4","0.5","","Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang","Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands","New Journal of Chemistry","2003","27","5","844","","10.1039/b209882m","","","0.71073","MoKα","","0.2334","0.0475","","","0.0552","0.1017","","","","","","0.701","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050476","28.546","0.005","26.529","0.005","10.915","0.002","90","","90","","90","","8266","3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C84 H68 Ho N12 -","- C84 Ho N12 -","- C336 Ho4 N48 -","4","0.5","","Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang","Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands","New Journal of Chemistry","2003","27","5","844","","10.1039/b209882m","","","0.71073","MoKα","","0.116","0.0622","","","0.1553","0.186","","","","","","0.955","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050477","28.617","0.005","26.626","0.005","10.918","0.002","90","","90","","90","","8319","3","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C84 H68 Er N12 -","- C84 Er N12 -","- C336 Er4 N48 -","4","0.5","","Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang","Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands","New Journal of Chemistry","2003","27","5","844","","10.1039/b209882m","","","0.71073","MoKα","","0.131","0.05","","","0.0848","0.1076","","","","","","0.861","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050478","28.632","0.014","26.669","0.013","10.938","0.005","90","","90","","90","","8352","7","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C88 H72 N8 Tm -","- C88 H72 N8 Tm -","- C352 H288 N32 Tm4 -","4","0.5","","Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang","Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands","New Journal of Chemistry","2003","27","5","844","","10.1039/b209882m","","","0.71073","MoKα","","0.1013","0.0752","","","0.1885","0.2009","","","","","","1.236","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7050479","28.739","0.006","26.832","0.005","10.866","0.002","90","","90","","90","","8379","3","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C84 H68 N12 Yb -","- C84 N12 Yb -","- C336 N48 Yb4 -","4","0.5","","Bian, Yongzhong; Wang, Daqi; Wang, Rongming; Weng, Linhong; Dou, Jianmin; Zhao, Dongyuan; Ng, Dennis K. P.; Jiang, Jianzhuang","Structural studies of the whole series of lanthanide double-decker compounds with mixed 2,3-naphthalocyaninato and octaethylporphyrinato ligands","New Journal of Chemistry","2003","27","5","844","","10.1039/b209882m","","","0.71073","MoKα","","0.1665","0.0422","","","0.044","0.0715","","","","","","0.644","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050480","13.075","0.003","14.159","0.003","15.026","0.003","97.5","0.03","111.62","0.03","117.04","0.03","2149","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 As3 O7 P -","- C46 H40 As3 O7 P -","- C92 H80 As6 O14 P2 -","2","1","","Cameron Jones; Stephen Bruce; David E. Hibbs; Jon Steed; Ryan C. Thomas; Thomas C. WIlliams","The synthesis and structural characterisation of 2-arsa- and 2-stiba-1,3-dionato complexes of s- and p-block elements","New Journal of Chemistry","2003","27","3","466","474","10.1039/b210043f","","","","","","","","","","","","","","","","","","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050481","17.155","0.003","18.028","0.004","18.48","0.004","90","","90","","90","","5715","2","150","2","150","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H38 As Cl3 In Li O5 -","- C18 H38 As Cl3 In Li O5 -","- C144 H304 As8 Cl24 In8 Li8 O40 -","8","1","","Cameron Jones; Stephen Bruce; David E. Hibbs; Jon Steed; Ryan C. Thomas; Thomas C. WIlliams","The synthesis and structural characterisation of 2-arsa- and 2-stiba-1,3-dionato complexes of s- and p-block elements","New Journal of Chemistry","2003","27","3","466","474","10.1039/b210043f","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:11:34",""
"7050482","8.4986","0.0006","22.694","0.002","16.2467","0.0011","90","","105.137","0.004","90","","3024.7","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C32 H30 As2 Mg O6 -","- C32 H30 As2 Mg O6 -","- C128 H120 As8 Mg4 O24 -","4","1","","Cameron Jones; Stephen Bruce; David E. Hibbs; Jon Steed; Ryan C. Thomas; Thomas C. WIlliams","The synthesis and structural characterisation of 2-arsa- and 2-stiba-1,3-dionato complexes of s- and p-block elements","New Journal of Chemistry","2003","27","3","466","474","10.1039/b210043f","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:11:43",""
"7050483","27.506","0.003","10.44","0.002","19.595","0.003","90","","121.486","0.012","90","","4798.5","1.3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C46 H78 Na O6 Sb -","- C46 H78 Na O6 Sb -","- C184 H312 Na4 O24 Sb4 -","4","1","","Cameron Jones; Stephen Bruce; David E. Hibbs; Jon Steed; Ryan C. Thomas; Thomas C. WIlliams","The synthesis and structural characterisation of 2-arsa- and 2-stiba-1,3-dionato complexes of s- and p-block elements","New Journal of Chemistry","2003","27","3","466","474","10.1039/b210043f","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:11:48",""
"7050484","14.44","0.003","19.134","0.004","19.562","0.004","90","","109.36","0.03","90","","5099.1","1.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C48 H83 As Na O7 -","- C48 H78 As Na O7 -","- C192 H312 As4 Na4 O28 -","4","1","","Cameron Jones; Stephen Bruce; David E. Hibbs; Jon Steed; Ryan C. Thomas; Thomas C. WIlliams","The synthesis and structural characterisation of 2-arsa- and 2-stiba-1,3-dionato complexes of s- and p-block elements","New Journal of Chemistry","2003","27","3","466","474","10.1039/b210043f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","301442","2025-08-04","07:11:50",""
"7050485","12.5803","0.001","7.6097","0.0007","19.678","0.002","90","","103.446","0.01","90","","1832.2","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H40 As2 Na2 O8 -","- C36 H40 As2 Na2 O8 -","- C72 H80 As4 Na4 O16 -","2","0.5","","Cameron Jones; Stephen Bruce; David E. Hibbs; Jon Steed; Ryan C. Thomas; Thomas C. WIlliams","The synthesis and structural characterisation of 2-arsa- and 2-stiba-1,3-dionato complexes of s- and p-block elements","New Journal of Chemistry","2003","27","3","466","474","10.1039/b210043f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","301442","2025-08-04","07:11:59",""
"7050486","8.5317","0.0003","9.7835","0.0005","11.7665","0.0006","112.465","0.003","102.759","0.003","96.788","0.003","862.55","0.07","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H20 As Li O3 -","- C36 H40 As2 Li2 O6 -","- C36 H40 As2 Li2 O6 -","1","1","","Cameron Jones; Stephen Bruce; David E. Hibbs; Jon Steed; Ryan C. Thomas; Thomas C. WIlliams","The synthesis and structural characterisation of 2-arsa- and 2-stiba-1,3-dionato complexes of s- and p-block elements","New Journal of Chemistry","2003","27","3","466","474","10.1039/b210043f","","","","","","","","","","","","","","","","","","","","","has coordinates","301442","2025-08-04","07:12:07",""
"7050487","12.5633","0.0003","7.5209","0.0006","18.9855","0.0008","90","","105.605","0.002","90","","1727.8","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 As Li O4 -","- C18 H20 As Li O4 -","- C72 H80 As4 Li4 O16 -","4","1","","Cameron Jones; Stephen Bruce; David E. Hibbs; Jon Steed; Ryan C. Thomas; Thomas C. WIlliams","The synthesis and structural characterisation of 2-arsa- and 2-stiba-1,3-dionato complexes of s- and p-block elements","New Journal of Chemistry","2003","27","3","466","474","10.1039/b210043f","","","","","","","0.034","","","0.0683","","","","","","","","","","","has coordinates","301442","2025-08-04","07:12:17",""
"7050488","11.736","0.0005","17.3904","0.0008","12.5818","0.0006","90","","98.619","0.003","90","","2538.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 Li O3 Sb -","- C26 H38 Li O3 Sb -","- C104 H152 Li4 O12 Sb4 -","4","1","","Cameron Jones; Stephen Bruce; David E. Hibbs; Jon Steed; Ryan C. Thomas; Thomas C. WIlliams","The synthesis and structural characterisation of 2-arsa- and 2-stiba-1,3-dionato complexes of s- and p-block elements","New Journal of Chemistry","2003","27","3","466","474","10.1039/b210043f","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","301442","2025-08-04","07:12:18",""
"7050489","9.3565","0.0001","17.3925","0.0002","12.5085","0.0002","90","","90","","90","","2035.54","0.05","233","2","233","2","","","","","","","","3","P n a 21","P 2c -2n","33","dtbpm","","","- C17 H38 P2 -","- C17 H38 P2 -","- C68 H152 P8 -","4","1","","Eisenträger, Frank; Göthlich, Alexander; Gruber, Irene; Heiss, Helmut; Kiener, Christoph A.; Krüger, Carl; Ulrich Notheis, J.; Rominger, Frank; Scherhag, Gunter; Schultz, Madeleine; Straub, Bernd F.; Volland, Martin A. O.; Hofmann, Peter","Sterically crowded diphosphinomethane ligands: molecular structures, UV-photoelectron spectroscopy and a convenient general synthesis of tBu2PCH2PtBu2 and related species","New Journal of Chemistry","2003","27","3","540","550","10.1039/b210114a","","","0.71073","MoKα","","0.0542","0.0405","","0.1299","0.1103","","","","1.083","1.058","1.058","","","","","has coordinates,has disorder","301851","2025-08-21","20:32:33",""
"7050490","9.718","0.002","10.423","0.002","12.775","0.001","98.21","0.01","96.84","0.01","105.23","0.01","1219","0.4","100","","100","","","","","","","","see paper","3","P -1","-P 1","2","dcpm","","","- C25 H46 P2 -","- C25 H46 P2 -","- C50 H92 P4 -","2","1","","Eisenträger, Frank; Göthlich, Alexander; Gruber, Irene; Heiss, Helmut; Kiener, Christoph A.; Krüger, Carl; Ulrich Notheis, J.; Rominger, Frank; Scherhag, Gunter; Schultz, Madeleine; Straub, Bernd F.; Volland, Martin A. O.; Hofmann, Peter","Sterically crowded diphosphinomethane ligands: molecular structures, UV-photoelectron spectroscopy and a convenient general synthesis of tBu2PCH2PtBu2 and related species","New Journal of Chemistry","2003","27","3","540","550","10.1039/b210114a","","","0.71073","MoKα","","0.0555","0.045","","","0.1294","0.1386","","","","","","1.182","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050491","11.1753","0.0005","9.8062","0.0004","20.3041","0.0008","90","","94.633","0.001","90","","2217.8","0.16","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","ctbpm","","","- C21 H42 P2 -","- C21 H42 P2 -","- C84 H168 P8 -","4","1","","Eisenträger, Frank; Göthlich, Alexander; Gruber, Irene; Heiss, Helmut; Kiener, Christoph A.; Krüger, Carl; Ulrich Notheis, J.; Rominger, Frank; Scherhag, Gunter; Schultz, Madeleine; Straub, Bernd F.; Volland, Martin A. O.; Hofmann, Peter","Sterically crowded diphosphinomethane ligands: molecular structures, UV-photoelectron spectroscopy and a convenient general synthesis of tBu2PCH2PtBu2 and related species","New Journal of Chemistry","2003","27","3","540","550","10.1039/b210114a","","","0.71073","MoKα","","0.1158","0.0529","","","0.0949","0.1168","","","","","","1.014","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050492","6.2975","0.0002","33.5911","0.0004","10.2346","0.0002","90","","105.314","0.001","90","","2088.15","0.08","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","ptbpm","","","- C21 H30 P2 -","- C21 H30 P2 -","- C84 H120 P8 -","4","1","","Eisenträger, Frank; Göthlich, Alexander; Gruber, Irene; Heiss, Helmut; Kiener, Christoph A.; Krüger, Carl; Ulrich Notheis, J.; Rominger, Frank; Scherhag, Gunter; Schultz, Madeleine; Straub, Bernd F.; Volland, Martin A. O.; Hofmann, Peter","Sterically crowded diphosphinomethane ligands: molecular structures, UV-photoelectron spectroscopy and a convenient general synthesis of tBu2PCH2PtBu2 and related species","New Journal of Chemistry","2003","27","3","540","550","10.1039/b210114a","","","0.71073","MoKα","","0.087","0.0461","","","0.0882","0.1012","","","","","","1.011","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050493","8.5","","10.1304","0.0002","12.9111","0.0002","90","","106.18","","90","","1067.72","0.03","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","dtbpe","","","- C18 H40 P2 -","- C18 H40 P2 -","- C36 H80 P4 -","2","0.5","","Eisenträger, Frank; Göthlich, Alexander; Gruber, Irene; Heiss, Helmut; Kiener, Christoph A.; Krüger, Carl; Ulrich Notheis, J.; Rominger, Frank; Scherhag, Gunter; Schultz, Madeleine; Straub, Bernd F.; Volland, Martin A. O.; Hofmann, Peter","Sterically crowded diphosphinomethane ligands: molecular structures, UV-photoelectron spectroscopy and a convenient general synthesis of tBu2PCH2PtBu2 and related species","New Journal of Chemistry","2003","27","3","540","550","10.1039/b210114a","","","0.71073","MoKα","","0.0484","0.0335","","","0.086","0.0943","","","","","","1.035","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050494","9.5711","0.0002","25.0934","0.0004","17.6357","0.0001","90","","105.061","0.001","90","","4090.1","0.11","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","dtbpmO2","","","- C17 H38 O2 P2 -","- C17 H38 O2 P2 -","- C136 H304 O16 P16 -","8","2","","Eisenträger, Frank; Göthlich, Alexander; Gruber, Irene; Heiss, Helmut; Kiener, Christoph A.; Krüger, Carl; Ulrich Notheis, J.; Rominger, Frank; Scherhag, Gunter; Schultz, Madeleine; Straub, Bernd F.; Volland, Martin A. O.; Hofmann, Peter","Sterically crowded diphosphinomethane ligands: molecular structures, UV-photoelectron spectroscopy and a convenient general synthesis of tBu2PCH2PtBu2 and related species","New Journal of Chemistry","2003","27","3","540","550","10.1039/b210114a","","","0.71073","MoKα","","0.0614","0.0407","","","0.0981","0.1091","","","","","","1.039","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050495","16.7907","0.0001","19.1459","0.0002","18.2699","0.0002","90","","113.552","0.001","90","","5384.02","0.1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","dtbpmH+","","","- C49 H51 B F24 P2 -","- C49 H51 B F24 P2 -","- C196 H204 B4 F96 P8 -","4","1","","Eisenträger, Frank; Göthlich, Alexander; Gruber, Irene; Heiss, Helmut; Kiener, Christoph A.; Krüger, Carl; Ulrich Notheis, J.; Rominger, Frank; Scherhag, Gunter; Schultz, Madeleine; Straub, Bernd F.; Volland, Martin A. O.; Hofmann, Peter","Sterically crowded diphosphinomethane ligands: molecular structures, UV-photoelectron spectroscopy and a convenient general synthesis of tBu2PCH2PtBu2 and related species","New Journal of Chemistry","2003","27","3","540","550","10.1039/b210114a","","","0.71073","MoKα","","0.1002","0.047","","","0.098","0.1184","","","","","","1.006","","","","has coordinates,has disorder","301851","2025-08-21","20:32:33",""
"7050496","18.2861","0.0003","9.9887","0.0002","17.3272","0.0003","90","","113.857","0.001","90","","2894.47","0.09","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","dtbpmCl+","","","- C18 H40 Cl6 Fe P2 -","- C18 H40 Cl6 Fe P2 -","- C72 H160 Cl24 Fe4 P8 -","4","1","","Eisenträger, Frank; Göthlich, Alexander; Gruber, Irene; Heiss, Helmut; Kiener, Christoph A.; Krüger, Carl; Ulrich Notheis, J.; Rominger, Frank; Scherhag, Gunter; Schultz, Madeleine; Straub, Bernd F.; Volland, Martin A. O.; Hofmann, Peter","Sterically crowded diphosphinomethane ligands: molecular structures, UV-photoelectron spectroscopy and a convenient general synthesis of tBu2PCH2PtBu2 and related species","New Journal of Chemistry","2003","27","3","540","550","10.1039/b210114a","","","0.71073","MoKα","","0.1835","0.1019","","","0.2307","0.2771","","","","","","1.132","","","","has coordinates","180058","2020-10-21","18:00:00",""
"7050497","14.2005","0.0005","10.6963","0.0004","13.9689","0.0005","90","","113.406","0.001","90","","1947.18","0.12","90","2","90","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,3,5,6-Tetra-(4-t-Butylphenyl)-1,4-di-iodobenzene","","","- C46 H52 I2 -","- C46 H52 I2 -","- C92 H104 I4 -","2","0.5","","Shah, Shashin; Eichler, Barrett E.; Smith, Rhett C.; Power, Philip P.; Protasiewicz, John D.","Synthesis and solid state structures of increasingly sterically crowded 1,4-diiodo-2,3,5,6-tetraarylbenzenes: a new series of bulky benzenes and aryls","New Journal of Chemistry","2003","27","2","442","","10.1039/b210577b","","","0.71073","MoKα","","0.0663","0.0336","","","0.0659","0.0758","","","","","","0.899","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050498","8.3261","0.0006","31.196","0.002","31.772","0.002","90","","90","","90","","8252.5","1","293","2","293","2","","","","","","","","3","F d d d :2","-F 2uv 2vw","70","2,3,5,6-Tetramesityl-1,4-di-iodobenzene.0.5toluene","","","- C45.5 H48 I2 -","- C45.5 H44 I2 -","- C364 H352 I16 -","8","0.25","","Shah, Shashin; Eichler, Barrett E.; Smith, Rhett C.; Power, Philip P.; Protasiewicz, John D.","Synthesis and solid state structures of increasingly sterically crowded 1,4-diiodo-2,3,5,6-tetraarylbenzenes: a new series of bulky benzenes and aryls","New Journal of Chemistry","2003","27","2","442","","10.1039/b210577b","","","0.71073","MoKα","","0.0928","0.0567","","","0.1268","0.1385","","","","","","1.077","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050499","16.229","0.002","16.5","0.002","13.1236","0.0016","90","","110.941","0.009","90","","3282.1","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C69 H52 I2 -","- C68 H12 I2 -","- C136 H24 I4 -","2","0.5","","Shah, Shashin; Eichler, Barrett E.; Smith, Rhett C.; Power, Philip P.; Protasiewicz, John D.","Synthesis and solid state structures of increasingly sterically crowded 1,4-diiodo-2,3,5,6-tetraarylbenzenes: a new series of bulky benzenes and aryls","New Journal of Chemistry","2003","27","2","442","","10.1039/b210577b","","","0.71073","MoKα","","0.1188","0.0721","","","0.1791","0.2103","","","","","","1.003","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050500","11.259","0.002","15.053","0.003","15.134","0.003","103.65","0.03","111.31","0.03","98.96","0.03","2237.9","1.1","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H55 F3 N3 O5 Pt S -","- C44 H53 F3 N3 O5 Pt S -","- C88 H106 F6 N6 O10 Pt2 S2 -","2","1","","Tao, Chi-Hang; Wong, Keith Man-Chung; Zhu, Nianyong; Yam, Vivian Wing-Wah","Versatile precursors for multinuclear platinum(ii) alkynyl assembly—synthesis, structural characterization and electrochemical studies of luminescent platinum(ii) alkynyl complexes","New Journal of Chemistry","2003","27","1","150","","10.1039/b210772b","","","0.71069","MoKα","","0.0968","0.082","","","0.2109","0.2241","","","","","","1.018","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050501","19.125","0.002","7.8428","0.0009","19.805","0.002","90","","107.921","0.012","90","","2826.5","0.6","160","2","160","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 N2 O2 P Zr -","- C34 H31 N2 O2 P Zr -","- C136 H124 N8 O8 P4 Zr4 -","4","1","","Cadierno, Victorio; Zablocka, Maria; Donnadieu, Bruno; Igau, Alain; Majoral, Jean-Pierre","Zircona-phosphazine complexes: synthesis and X-ray determination","New Journal of Chemistry","2003","27","4","675","","10.1039/b210773m","","","0.71073","MoKα","","0.0305","0.0237","","","0.0579","0.0601","","","","","","1.021","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050502","19.426","0.002","14.881","0.003","21.824","0.002","90","","116.88","0.007","90","","5627.2","1.4","297.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 N4 O2 -","- C14 H17 N4 O2 -","- C224 H272 N64 O32 -","16","2","","Nagashima, Hideaki; Hashimoto, Noriko; Inoue, Hidenari; Yoshioka, Naoki","Coexistence of an antiferromagnetically coupled dimer and isolated paramagnetic spin in 4-azaindol-2-yl nitronyl nitroxide crystalElectronic supplementary information available: final atomic positions, calculated atomic spin population, calculated optimized structure of 2 and the dimeric structures used to calculate J. See http://www.rsc.org/suppdata/nj/b2/b210820h/","New Journal of Chemistry","2003","27","5","805","","10.1039/b210820h","","","0.71073","MoKα","","","0.0492","","","","0.1667","","","","","","1.056","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050503","8.0963","0.0009","15.2585","0.0017","8.2235","0.0009","90","","113.024","0.002","90","","934.98","0.18","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","N,N-Dimethylthioformamidium hexachlorohafniate(IV)","","","- C6 H16 Cl6 Hf N2 S2 -","- C6 H16 Cl6 Hf N2 S2 -","- C12 H32 Cl12 Hf2 N4 S4 -","2","0.5","","Hagfeldt, Camelia; Kessler, Vadim; Persson, Ingmar","The discovery of the N,N-dimethylthioformamidium ion. A structural study of {(CH3)2NCHSH}2[HfCl6] in solid state and solutionElectronic supplementary information (ESI) available: 7 tables and 5 figures of IR, EXAFS and X-ray data as described in the text. See http://www.rsc.org/suppdata/nj/b2/b210969g/","New Journal of Chemistry","2003","27","5","850","","10.1039/b210969g","","","0.71073","MoKα","","0.039","0.0199","","","0.043","0.0459","","","","","","0.772","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050504","19.48","0.002","21.875","0.002","21.415","0.003","90","","109.459","0.008","90","","8604.2","1.7","223","2","223","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","Samarium(iii) Tris-(Dimethyl-N-trichloroacetylamidophosphate) Complex with 1,10-Phenanthroline","Samarium(III) Tris-(Dimethyl-N-trichloroacetylamidophosphate) Complex with 1,10-Phenanthroline","","- C24 H26 Cl9 N5 O12 P3 Sm -","- C24 H26 Cl9 N5 O12 P3 Sm -","- C192 H208 Cl72 N40 O96 P24 Sm8 -","8","2","","Grażyna Oczko; Janina Legendziewicz; Victor Trush; Vladimir Amirkhanov","X-Ray analysis and excited state dynamics in a new class of lanthanide mixed chelates of the type LnPhβ3·Phen (Ln=Sm, Eu, Gd, Tb)","New J. Chem.","2003","27","6","948","956","10.1039/b211044j","","","0.71073","MoKα","","0.1317","0.0611","","0.1241","0.0979","","","","1.057","1.158","1.158","","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050505","8.7122","0.0002","12.4992","0.0002","12.9229","0.0003","63.927","0.001","71.742","0.001","73.141","0.001","1181.11","0.04","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H32 O2 Si4 -","- C20 H32 O2 Si4 -","- C40 H64 O4 Si8 -","2","1","","Audrey Moores; Christian Defieber; Nicolas Mézailles; Nicole Maigrot; Louis Ricard; Pascal Le Floch","Siloxa-bridged-cyclophanes featuring benzene, thiophene and pyridine units","New J. Chem.","2003","27","6","994","999","10.1039/b211045h","","","0.71069","MoKα","","0.0361","0.0317","","","0.0949","0.099","","","","","","1.034","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050506","17.0411","0.0003","12.0953","0.0002","16.99","0.0002","90","","114.07","0.001","90","","3197.43","0.09","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 O3 Si6 -","- C24 H42 O3 Si6 -","- C96 H168 O12 Si24 -","4","1","","Audrey Moores; Christian Defieber; Nicolas Mézailles; Nicole Maigrot; Louis Ricard; Pascal Le Floch","Siloxa-bridged-cyclophanes featuring benzene, thiophene and pyridine units","New J. Chem.","2003","27","6","994","999","10.1039/b211045h","","","0.71069","MoKα","","0.0529","0.0388","","","0.1027","0.1104","","","","","","1.022","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050507","6.7411","0.0002","8.2744","0.0002","11.4404","0.0001","72.939","0.002","72.984","0.002","73.38","0.001","569.18","0.02","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C16 H28 O2 S2 Si4 -","- C16 H28 O2 S2 Si4 -","- C16 H28 O2 S2 Si4 -","1","0.5","","Audrey Moores; Christian Defieber; Nicolas Mézailles; Nicole Maigrot; Louis Ricard; Pascal Le Floch","Siloxa-bridged-cyclophanes featuring benzene, thiophene and pyridine units","New J. Chem.","2003","27","6","994","999","10.1039/b211045h","","","0.71069","MoKα","","0.0429","0.0346","","","0.0893","0.0967","","","","","","1.026","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050508","23.444","0.005","12.699","0.005","10.521","0.005","90","","90","","90","","3132","2","150","1","150","1","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C22 H40 Br2 N2 O3 Si4 -","- C18 H32 Br2 N2 O2 Si4 -","- C72 H128 Br8 N8 O8 Si16 -","4","0.5","","Audrey Moores; Christian Defieber; Nicolas Mézailles; Nicole Maigrot; Louis Ricard; Pascal Le Floch","Siloxa-bridged-cyclophanes featuring benzene, thiophene and pyridine units","New J. Chem.","2003","27","6","994","999","10.1039/b211045h","","","0.71069","MoKα","","0.0621","0.0455","","","0.1331","0.1388","","","","","","1.082","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050509","8.945","0.003","33.559","0.008","9.959","0.015","90","","96.389","0.01","90","","2971","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H80 Cr2 Cu3 N24 O4 -","- C42 H66 Cr2 Cu3 N24 O4 -","- C84 H132 Cr4 Cu6 N48 O8 -","2","0.5","","Salah El Fallah, M.; Ribas, Joan; Solans, Xavier; Font-Bardia, Mercé","A new one-dimensional ferromagnet based on copper(ii) and hexacyanochromate(iii), with a rope-ladder chain structure","New Journal of Chemistry","2003","27","5","895","","10.1039/b211276k","","","0.71069","MoKα","","0.0804","0.0571","","","0.1289","0.2131","","","","","","0.771","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050510","11.256","0.001","12.775","0.001","13.9752","0.0008","90","","117.408","0.005","90","","1784","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cl2 Fe N2 Pt -","- C16 H22 Cl2 Fe N2 Pt -","- C64 H88 Cl8 Fe4 N8 Pt4 -","4","1","","Sonia Pérez; Concepción López; Amparo Caubet; Xavier Solans; Mercè Font-Bardía","Synthesis, characterisation and study of the reactivity of the first platinum(II) complex having a [C(sp2, ferrocene),N,N']− terdentate ligand","New J. Chem.","2003","27","6","975","982","10.1039/b211346e","","","0.71069","MoKα","","0.0483","0.0392","","","0.1049","0.1166","","","","","","1.129","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050511","11.109","0.005","12.596","0.012","12.484","0.005","90","","110.81","0.04","90","","1632.9","1.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 Cl Fe N2 Pt -","- C16 H21 Cl Fe N2 Pt -","- C64 H84 Cl4 Fe4 N8 Pt4 -","4","1","","Sonia Pérez; Concepción López; Amparo Caubet; Xavier Solans; Mercè Font-Bardía","Synthesis, characterisation and study of the reactivity of the first platinum(II) complex having a [C(sp2, ferrocene),N,N']− terdentate ligand","New J. Chem.","2003","27","6","975","982","10.1039/b211346e","","","0.71069","MoKα","","0.0796","0.0442","","","0.1023","0.1169","","","","","","0.933","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050512","9.2775","0.0008","7.7207","0.0006","23.449","0.002","90","","90","","90","","1679.6","0.2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H6 Cd O5 -","- C8 H4 Cd O5 -","- C64 H32 Cd8 O40 -","8","1","","Wang, Shutao; Hou, Yu; Wang, Enbo; Li, Yangguang; Xu, Lin; Peng, Jun; Liu, Shuxia; Hu, Changwen","A novel organic-inorganic hybrid material with fluorescent emission: [Cd(PT)(H2O)]n (PT?=?phthalate)Electronic supplementary information (ESI) available: figures showing the metal-oxygen framework of 1 and its XPS, IR, UV-vis spectra and the decay of the luminescence, as well as the fluorescent excitation and emission spectra of PT. See http://www.rsc.org/suppdata/nj/b2/b211358a/","New Journal of Chemistry","2003","27","7","1144","","10.1039/b211358a","","","0.71073","MoKα","","0.0363","0.0322","","","0.0814","0.084","","","","","","1.077","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050513","19.498","0.009","8.584","0.004","29.979","0.013","90","","90","","90","","5018","4","120","2","120","2","","","","","","","","8","P n a 21","P 2c -2n","33","Di(tetra(dimethylamido)phosphonium)(2+) 1,8- Bis(trichlorostannato)-2,7,9,14,15,20-hexaoxa-3,6,10,13,16,19-hexaaza- 4,5,11,12,17,18-hexachlorobicyclo-(6.6.6)eicosa-3,5,10,12,16,18-hexaene iron(ii) (2-)","","","- C22 H48 Cl12 Fe N14 O6 P2 Sn2 -","- C22 H48 Cl12 Fe N14 O6 P2 Sn2 -","- C88 H192 Cl48 Fe4 N56 O24 P8 Sn8 -","4","1","","Voloshin, Yan Z.; Varzatskii, Oleg A.; Palchik, Aleksei V.; Strizhakova, Nataly G.; Vorontsov, Ivan I.; Antipin, Mikhail Yu.; Kochubey, Dmitry I.; Novgorodov, Boris N.","First trigonal-antiprismatic tris-dichloroglyoximate iron(ii) clathrochelate and its reactivity in nucleophilic substitution reactionsElectronic supplementary information (ESI) available: EXAFS oscillations, k2?(k), and RDA curves of six boron- and tin-capped iron(ii) clathrochelates. See http://www.rsc.org/suppdata/nj/b2/b211623e/","New Journal of Chemistry","2003","27","7","1148","","10.1039/b211623e","","","0.71073","MoKα","","0.0806","0.0541","","","0.1165","0.1269","","","","","","0.927","","","","has coordinates,has disorder","180059","2020-10-21","18:00:00",""
"7050514","18.46","0.03","5.612","0.011","18.46","0.03","90","","100.172","0.01","90","","1882","6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 Ag Cl N6 O4 -","- C32 H32 Ag2 Cl2 N12 O8 -","- C64 H64 Ag4 Cl4 N24 O16 -","2","0.25","","Chowdhury, Shubhamoy; Drew, Michael G. B.; Datta, Dipankar","A case of four-coordinate silver(i) adopting a high energy planar geometry. Experiment and theory","New Journal of Chemistry","2003","27","5","831","","10.1039/b211898j","","","0.71073","MoKα","","0.1061","0.0675","","","0.201","0.2705","","","","","","1.168","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050515","26.66","0.04","15.4","0.02","21.64","0.03","90","","90.06","","90","","8885","2","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C81.5 H74 Ag3 Cl3 N18 O15.5 -","- C81.5 H74 Ag3 Cl3 N18 O15.5 -","- C326 H296 Ag12 Cl12 N72 O62 -","4","1","","Chowdhury, Shubhamoy; Drew, Michael G. B.; Datta, Dipankar","A case of four-coordinate silver(i) adopting a high energy planar geometry. Experiment and theory","New Journal of Chemistry","2003","27","5","831","","10.1039/b211898j","","","0.71073","MoKα","","0.0897","0.0684","","","0.1867","0.2069","","","","","","1","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050516","23.93","0.006","8.041","0.003","25.014","0.005","90","","105.739","0.018","90","","4633","2","132","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","tetrakis(2-allyl-6-methylphenoxo)tricopper(I,II) toluene solvate","tetrakis(2-allyl-6-methylphenoxo)tricopper(I,II) toluene solvate","","- C54 H60 Cu3 O4 -","- C54 H60 Cu3 O4 -","- C216 H240 Cu12 O16 -","4","0.5","","Gustafsson, Björn; Håkansson, Mikael; Jagner, Susan","Copper(ii) is harder than copper(i): a novel mixed-valence example from alkoxide chemistry","New Journal of Chemistry","2003","27","3","459","","10.1039/b211899h","","","0.71073","MoKα","","0.331","0.0638","","","0.1466","0.2307","","","","","","0.948","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050517","12.848","0.002","9.7316","0.0014","21.776","0.005","90","","106.361","0.017","90","","2612.4","0.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 B Mo N6 O3 -","- C27 H30 B Mo N6 O3 -","- C108 H120 B4 Mo4 N24 O12 -","4","1","","Laye, Rebecca H.; Bell, Zöe R.; Ward, Michael D.","Complexes of 2,2'-biphenol with ruthenium(ii), molybdenum(v), tungsten(v) and tungsten(vi): structures, electrochemistry and spectroscopy","New Journal of Chemistry","2003","27","4","684","","10.1039/b211997h","","","0.71073","MoKα","","0.055","0.038","","","0.0831","0.0887","","","","","","0.986","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050518","15.41","0.003","10.0634","0.0018","17.134","0.004","90","","105.629","0.011","90","","2558.8","0.9","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 B N6 O3 W -","- C27 H30 B N6 O3 W -","- C108 H120 B4 N24 O12 W4 -","4","1","","Laye, Rebecca H.; Bell, Zöe R.; Ward, Michael D.","Complexes of 2,2'-biphenol with ruthenium(ii), molybdenum(v), tungsten(v) and tungsten(vi): structures, electrochemistry and spectroscopy","New Journal of Chemistry","2003","27","4","684","","10.1039/b211997h","","","0.71073","MoKα","","0.0612","0.0448","","","0.1014","0.1088","","","","","","1.005","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050519","13.467","0.005","15.593","0.006","15.861","0.006","90","","98.31","0.007","90","","3296","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 Cl2 N2 O Ru0.5 -","- C17 H12 Cl2 N2 O Ru0.5 -","- C136 H96 Cl16 N16 O8 Ru4 -","8","1","","Laye, Rebecca H.; Bell, Zöe R.; Ward, Michael D.","Complexes of 2,2'-biphenol with ruthenium(ii), molybdenum(v), tungsten(v) and tungsten(vi): structures, electrochemistry and spectroscopy","New Journal of Chemistry","2003","27","4","684","","10.1039/b211997h","","","0.71073","MoKα","","0.0461","0.0373","","","0.0955","0.0983","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050520","16.8678","0.0012","17.776","0.002","19.036","0.002","90","","90","","90","","5707.8","1","173","2","173","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C36 H24 O6 W -","- C36 H24 O6 W -","- C288 H192 O48 W8 -","8","1","","Laye, Rebecca H.; Bell, Zöe R.; Ward, Michael D.","Complexes of 2,2'-biphenol with ruthenium(ii), molybdenum(v), tungsten(v) and tungsten(vi): structures, electrochemistry and spectroscopy","New Journal of Chemistry","2003","27","4","684","","10.1039/b211997h","","","0.71073","MoKα","","0.0396","0.0207","","","0.0445","0.0515","","","","","","0.998","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050521","9.985","0.002","22.734","0.005","16.038","0.003","90","","93.85","0.02","90","","3632.4","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 Cl6 O6 W2 -","- C36 H24 Cl6 O6 W2 -","- C144 H96 Cl24 O24 W8 -","4","1","","Laye, Rebecca H.; Bell, Zöe R.; Ward, Michael D.","Complexes of 2,2'-biphenol with ruthenium(ii), molybdenum(v), tungsten(v) and tungsten(vi): structures, electrochemistry and spectroscopy","New Journal of Chemistry","2003","27","4","684","","10.1039/b211997h","","","0.71073","MoKα","","0.0888","0.04","","","0.0631","0.0736","","","","","","0.926","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050522","21.693","0.004","8.7","0.0017","15.41","0.003","90","","119.2","0.03","90","","2538.7","1.1","112","2","112","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C19 H43 Cl O3 P2 Ru S -","- C19 H43 Cl O2.648 P2 Ru S0.838 -","- C76 H172 Cl4 O10.592 P8 Ru4 S3.352 -","4","0.5","","Marchenko, Alexei V.; Vedernikov, Andrei N.; Huffman, John C.; Caulton, Kenneth G.","Evaluation of energies of isomeric SO2 complexesElectronic supplementary information (ESI) available: DFT geometry optimized structures of isomeric RuCl(CO)(PMe3)2HSO2. See http://www.rsc.org/suppdata/nj/b2/b212025a/","New Journal of Chemistry","2003","27","4","680","","10.1039/b212025a","","","0.71073","MoKα","","0.0318","0.0234","","","0.0502","0.0524","","","","","","0.945","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050523","7.9536","0.001","6.7856","0.001","24.295","0.004","90","","92.585","0.012","90","","1309.9","0.3","150","","150","","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cu N10 -","- C10 H10 Cu N10 -","- C40 H40 Cu4 N40 -","4","1","","Mohamadou, Aminou; van Albada, Gerard A.; Kooijman, Huub; Wieczorek, Birgit; Spek, Anthony L.; Reedijk, Jan","The binding mode of the ambidentate ligand dicyanamide to transition metal ions can be tuned by bisimidazoline ligands with H-bonding donor property at the rear side of the ligandElectronic supplementary information (ESI) available: atomic displacement plot of structure 2. See http://www.rsc.org/suppdata/nj/b2/b212059c/","New Journal of Chemistry","2003","27","6","983","","10.1039/b212059c","","x-ray","0.71073","MoKα","","0.039","0.0273","","","0.0673","0.0714","","","","","","1.038","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050524","6.5873","0.001","8.4512","0.001","9.2834","0.0015","67.977","0.012","81.207","0.013","84.901","0.015","473.19","0.13","150","","150","","","","","","","","see text","4","P -1","-P 1","2","","","","- C16 H20 Cu N14 -","- C16 H20 Cu N14 -","- C16 H20 Cu N14 -","1","0.5","","Mohamadou, Aminou; van Albada, Gerard A.; Kooijman, Huub; Wieczorek, Birgit; Spek, Anthony L.; Reedijk, Jan","The binding mode of the ambidentate ligand dicyanamide to transition metal ions can be tuned by bisimidazoline ligands with H-bonding donor property at the rear side of the ligandElectronic supplementary information (ESI) available: atomic displacement plot of structure 2. See http://www.rsc.org/suppdata/nj/b2/b212059c/","New Journal of Chemistry","2003","27","6","983","","10.1039/b212059c","","x-ray","0.71073","MoKα","","0.0355","0.0299","","","0.073","0.0752","","","","","","1.059","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050525","6.7844","0.001","8.097","0.002","9.462","0.002","67.89","0.008","82.44","0.009","86.531","0.01","477.34","0.17","150","","150","","","","","","","","see text","4","P -1","-P 1","2","","","","- C16 H20 Co N14 -","- C16 H20 Co N14 -","- C16 H20 Co N14 -","1","0.5","","Mohamadou, Aminou; van Albada, Gerard A.; Kooijman, Huub; Wieczorek, Birgit; Spek, Anthony L.; Reedijk, Jan","The binding mode of the ambidentate ligand dicyanamide to transition metal ions can be tuned by bisimidazoline ligands with H-bonding donor property at the rear side of the ligandElectronic supplementary information (ESI) available: atomic displacement plot of structure 2. See http://www.rsc.org/suppdata/nj/b2/b212059c/","New Journal of Chemistry","2003","27","6","983","","10.1039/b212059c","","x-ray","0.71073","MoKα","","0.0267","0.024","","","0.0571","0.0581","","","","","","1.074","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050526","16.4081","0.0016","6.7991","0.0008","17.965","0.002","90","","90","","90","","2004.2","0.4","150","","150","","","","","","","","see text","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 N14 Ni -","- C16 H20 N14 Ni -","- C64 H80 N56 Ni4 -","4","0.5","","Mohamadou, Aminou; van Albada, Gerard A.; Kooijman, Huub; Wieczorek, Birgit; Spek, Anthony L.; Reedijk, Jan","The binding mode of the ambidentate ligand dicyanamide to transition metal ions can be tuned by bisimidazoline ligands with H-bonding donor property at the rear side of the ligandElectronic supplementary information (ESI) available: atomic displacement plot of structure 2. See http://www.rsc.org/suppdata/nj/b2/b212059c/","New Journal of Chemistry","2003","27","6","983","","10.1039/b212059c","","x-ray","0.71073","MoKα","","0.0392","0.0282","","","0.0731","0.0784","","","","","","1.081","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050527","20.796","0.004","36.322","0.007","23.03","0.005","90","","101.92","0.03","90","","17021","6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","01sw015","","","- C138 H170 Cl6 O12 U3 -","- C138 H170 Cl6 O12 U3 -","- C552 H680 Cl24 O48 U12 -","4","0.5","","Old, Jamie; Danopoulos, Andreas A.; Winston, Scott","Uranium complexes with dianionic O-methylated calix[4]arene ligands","New Journal of Chemistry","2003","27","4","672","","10.1039/b212092e","","","0.71073","MoKα","","0.1092","0.0685","","","0.1787","0.2183","","","","","","1.061","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050528","23.3866","0.0008","10.9268","0.0004","27.476","0.001","90","","112.065","0.0009","90","","6507","0.4","193.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H31 Cl3 N2 Ni O5 -","- C35 H31 Cl3 N2 Ni O5 -","- C280 H248 Cl24 N16 Ni8 O40 -","8","1","","Houjou, Hirohiko; Iwasaki, Atsushi; Ogihara, Tamako; Kanesato, Masatoshi; Akabori, Sadatoshi; Hiratani, Kazuhisa","The architecture of dinuclear Ni and Cu complexes: twisted and parallel forms controlled by the self-assembly of Schiff base ligands","New Journal of Chemistry","2003","27","5","886","","10.1039/b212285p","","","0.7107","MoKα","","","0.0562","","","","0.0659","","","","","","1.239","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050529","15.1713","0.0004","21.355","0.0005","12.5324","0.0003","98.364","0.001","92.0854","0.0006","94.2007","0.0009","4001.75","0.17","193.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C88 H100 Cu2 N4 O11 -","- C88 H100 Cu2 N4 O11 -","- C176 H200 Cu4 N8 O22 -","2","1","","Houjou, Hirohiko; Iwasaki, Atsushi; Ogihara, Tamako; Kanesato, Masatoshi; Akabori, Sadatoshi; Hiratani, Kazuhisa","The architecture of dinuclear Ni and Cu complexes: twisted and parallel forms controlled by the self-assembly of Schiff base ligands","New Journal of Chemistry","2003","27","5","886","","10.1039/b212285p","","","0.7107","MoKα","","","0.0629","","","","0.1171","","","","","","1.645","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050530","15.5858","0.0009","17.5726","0.0009","17.4597","0.0009","90","","99.845","0.002","90","","4711.5","0.4","193.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C46 H62 N2 Ni O11 -","- C46 H62 N2 Ni O11 -","- C184 H248 N8 Ni4 O44 -","4","1","","Houjou, Hirohiko; Iwasaki, Atsushi; Ogihara, Tamako; Kanesato, Masatoshi; Akabori, Sadatoshi; Hiratani, Kazuhisa","The architecture of dinuclear Ni and Cu complexes: twisted and parallel forms controlled by the self-assembly of Schiff base ligands","New Journal of Chemistry","2003","27","5","886","","10.1039/b212285p","","","0.7107","MoKα","","","0.0783","","","","0.1103","","","","","","1.688","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050531","7.2563","0.0013","10.6168","0.0016","12.0608","0.0019","103.213","0.012","103.625","0.014","101.443","0.013","847.3","0.3","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H20 Cu N4 O2 -","- C17 H20 Cu N4 O2 -","- C34 H40 Cu2 N8 O4 -","2","1","","Das, Sunirban; Muthukumaragopal, G. P.; Pal, Satyanarayan; Pal, Samudranil","A one-dimensional assembly of a square-planar copper(ii) complex with alternating short and long Cu?Cu distances. Metal ion spin-exchange via ?-? interactions","New Journal of Chemistry","2003","27","7","1102","","10.1039/b212399c","","","0.71073","MoKα","","0.0398","0.0305","","","0.0779","0.0827","","","","","","1.015","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050532","11.437","0.006","12.002","0.004","10.862","0.007","90.7","0.04","90.22","0.05","112.06","0.03","1381.7","1.3","296.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H14 Cu F12 Fe N2 O4 -","- C24 H14 Cu F12 Fe N2 O4 -","- C48 H28 Cu2 F24 Fe2 N4 O8 -","2","1","","Horikoshi, Ryo; Ueda, Mikio; Mochida, Tomoyuki","Side-chain coordination polymers containing redox-active pendants: complexation of ferrocene-based bidentate ligands with M(hfac)2 (hfac?=?1,1,1,5,5,5-hexafluoroacetylacetonate, M?=?Mn, Ni, Cu, Zn) and CuX (X?=?I, Br)","New Journal of Chemistry","2003","27","6","933","","10.1039/b212518h","","","0.7107","MoKα","","","0.0461","","","","0.1457","","","","","","1.014","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050533","12.515","0.002","9.537","0.002","12.683","0.002","90","","112.54","0.01","90","","1398.2","0.4","296.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cu Fe I N2 -","- C14 H12 Cu Fe I N2 -","- C56 H48 Cu4 Fe4 I4 N8 -","4","1","","Horikoshi, Ryo; Ueda, Mikio; Mochida, Tomoyuki","Side-chain coordination polymers containing redox-active pendants: complexation of ferrocene-based bidentate ligands with M(hfac)2 (hfac?=?1,1,1,5,5,5-hexafluoroacetylacetonate, M?=?Mn, Ni, Cu, Zn) and CuX (X?=?I, Br)","New Journal of Chemistry","2003","27","6","933","","10.1039/b212518h","","","0.7107","MoKα","","","0.0335","","","","0.0974","","","","","","1.024","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050534","16.6049","0.0003","13.7745","0.0003","13.7888","0.0004","90","","102.184","0.001","90","","3082.79","0.13","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Cl Cu2 N5 O9 S -","- C25 H36 Cl Cu2 N5 O9 S -","- C100 H144 Cl4 Cu8 N20 O36 S4 -","4","1","","Choudhury, Chirantan Roy; Dey, Subrata Kumar; Karmakar, Ruma; Wu, Chuan-De; Lu, Can-Zhong; El Fallah, M. Salah; Mitra, Samiran","First report of singly phenoxo-bridged copper(ii) dimeric complexes: synthesis, crystal structure and low-temperature magnetic behaviour studyElectronic supplementary information (ESI) available: structural data for compounds 1, 3, 2. See http://www.rsc.org/suppdata/nj/b3/b300217a/","New Journal of Chemistry","2003","27","9","1360","","10.1039/b300217a","","","0.71073","MoKα","","","0.0821","","","0.141","0.1657","","","","","","1.01","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050535","16.738","0.001","13.286","0.001","14.082","0.001","90","","104.88","","90","","3026.6","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H36 Cl Cu2 N5 O10 -","- C25 H36 Cl Cu2 N5 O10 -","- C100 H144 Cl4 Cu8 N20 O40 -","4","1","","Choudhury, Chirantan Roy; Dey, Subrata Kumar; Karmakar, Ruma; Wu, Chuan-De; Lu, Can-Zhong; El Fallah, M. Salah; Mitra, Samiran","First report of singly phenoxo-bridged copper(ii) dimeric complexes: synthesis, crystal structure and low-temperature magnetic behaviour studyElectronic supplementary information (ESI) available: structural data for compounds 1, 3, 2. See http://www.rsc.org/suppdata/nj/b3/b300217a/","New Journal of Chemistry","2003","27","9","1360","","10.1039/b300217a","","","0.71073","MoKα","","","0.0512","","","0.1247","0.1377","","","","","","1.08","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050536","16.6748","0.0004","13.3188","0.0003","14.0639","0.0004","90","","104.699","0.001","90","","3021.21","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl Cu2 N7 O9 -","- C24 H36 Cl Cu2 N7 O9 -","- C96 H144 Cl4 Cu8 N28 O36 -","4","1","","Choudhury, Chirantan Roy; Dey, Subrata Kumar; Karmakar, Ruma; Wu, Chuan-De; Lu, Can-Zhong; El Fallah, M. Salah; Mitra, Samiran","First report of singly phenoxo-bridged copper(ii) dimeric complexes: synthesis, crystal structure and low-temperature magnetic behaviour studyElectronic supplementary information (ESI) available: structural data for compounds 1, 3, 2. See http://www.rsc.org/suppdata/nj/b3/b300217a/","New Journal of Chemistry","2003","27","9","1360","","10.1039/b300217a","","","0.71073","MoKα","","","0.0556","","","0.1227","0.1372","","","","","","1.148","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050537","10.1284","0.0004","11.1119","0.0004","11.7224","0.0004","109.519","0.001","95.95","0.001","105.425","0.001","1171.47","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 Cd N2 O11 -","- C23 H13 Cd N2 O10.99 -","- C46 H26 Cd2 N4 O21.98 -","2","1","","Dai, Jing-Cao; Hu, Sheng-Min; Wu, Xin-Tao; Fu, Zhi-Yong; Du, Wen-Xin; Zhang, Han-Hui; Sun, Rui-Qing","A novel 2D bilayer architecture generated via ?-? interactions and host?guest molecular recognition: assembly and structure of {[Cd(Htma)(bpy)(H2O)]�(H2tp)0.5�2H2O}n polymer (tma?=?trimesate, bpy?=?4,4?-bipyridine, tp?=?terephthalate)","New Journal of Chemistry","2003","27","6","914","","10.1039/b300223c","","","0.71073","MoKα","","0.0761","0.0563","","","0.1414","0.1615","","","","","","1.076","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050538","18.949","0.002","18.949","0.002","18.949","0.002","117.25","0.02","117.25","0.02","117.25","0.02","2879","6","","","293","2","","","","","","","","4","R -3 :R","-P 3*","148","N-(2'-Methylphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12- dicarboximide","N-(2'-Methylphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximide","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C150 H114 N6 O12 -","6","1","","Gisbert Grossmann; Marek J. Potrzebowski; Sebastian Olejniczak; Natasza E. Ziółkowska; Grzegorz D. Bujacz; Wlodzimierz Ciesielski; Wiktor Prezdo; Valerii Nazarov; Vladislav Golovko","Structural studies of N-(2'-substituted phenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximides by X-ray diffraction and NMR spectroscopy—proofs for CH/π interactions in liquid and solid phases","New J. Chem.","2003","27","7","1095","1101","10.1039/b300759f","","","1.54178","CuKα","","0.0486","0.0436","","0.1172","","0.1124","","","","","","1.122","","","","has coordinates,has disorder","180059","2020-10-21","18:00:00",""
"7050539","10.489","0.003","10.626","0.002","17.737","0.003","79.166","0.014","79.92","0.02","89.27","0.02","1911.3","0.7","","","293","2","","","","","","","","4","P -1","-P 1","2","N-(2'-Methoxyphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12- dicarboximide","N-(2'-Methoxyphenyl)-9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboximide","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","2","","Gisbert Grossmann; Marek J. Potrzebowski; Sebastian Olejniczak; Natasza E. Ziółkowska; Grzegorz D. Bujacz; Wlodzimierz Ciesielski; Wiktor Prezdo; Valerii Nazarov; Vladislav Golovko","Structural studies of N-(2'-substituted phenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximides by X-ray diffraction and NMR spectroscopy—proofs for CH/π interactions in liquid and solid phases","New J. Chem.","2003","27","7","1095","1101","10.1039/b300759f","","","1.54178","CuKα","","0.0521","0.0463","","0.1408","","0.1338","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050540","10.9","0.002","12.637","0.003","15.214","0.004","90","","108.16","0.02","90","","1991.2","0.8","","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(2'-Ethoxyphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12- dicarboximide","N-(2'-Ethoxyphenyl)-9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboximide","","- C26 H21 N O3 -","- C26 H21 N O3 -","- C104 H84 N4 O12 -","4","1","","Gisbert Grossmann; Marek J. Potrzebowski; Sebastian Olejniczak; Natasza E. Ziółkowska; Grzegorz D. Bujacz; Wlodzimierz Ciesielski; Wiktor Prezdo; Valerii Nazarov; Vladislav Golovko","Structural studies of N-(2'-substituted phenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximides by X-ray diffraction and NMR spectroscopy—proofs for CH/π interactions in liquid and solid phases","New J. Chem.","2003","27","7","1095","1101","10.1039/b300759f","","","1.54178","CuKα","","0.0481","0.044","","0.1254","","0.1207","","","","","","1.064","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7050541","12.654","0.006","17.65","0.007","12.543","0.006","90","","90","","90","","2801","2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C25 H34 Mn N10 -","- C25 H34 Mn N10 -","- C100 H136 Mn4 N40 -","4","0.5","","Tong, Ming-Liang; Ru, Jie; Wu, Yin-Miao; Chen, Xiao-Ming; Chang, Ho-Chol; Mochizuki, K.; Kitagawa, S.","Cation-templated construction of three-dimensional α-Po cubic-type [M(dca)3]‒ networks. Syntheses, structures and magnetic properties of A[M(dca)3] (dca = dicyanamide; for A = benzyltributylammonium, M = Mn2+, Co2+; for A = benzyltriethylammonium, M = Mn2+, Fe2+)","New Journal of Chemistry","2003","27","5","779","","10.1039/b300760j","","","0.71073","MoKα","","0.0813","0.0597","","","0.1598","0.1785","","","","","","1.042","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050542","12.536","0.008","17.48","0.001","12.372","0.006","90","","90","","90","","2711","2","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C25 H34 Co N10 -","- C25 H34 Co N10 -","- C100 H136 Co4 N40 -","4","0.5","","Tong, Ming-Liang; Ru, Jie; Wu, Yin-Miao; Chen, Xiao-Ming; Chang, Ho-Chol; Mochizuki, K.; Kitagawa, S.","Cation-templated construction of three-dimensional α-Po cubic-type [M(dca)3]‒ networks. Syntheses, structures and magnetic properties of A[M(dca)3] (dca = dicyanamide; for A = benzyltributylammonium, M = Mn2+, Co2+; for A = benzyltriethylammonium, M = Mn2+, Fe2+)","New Journal of Chemistry","2003","27","5","779","","10.1039/b300760j","","","0.71073","MoKα","","0.0935","0.0578","","","0.1578","0.1812","","","","","","1.064","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050543","12.932","0.006","16.352","0.007","10.625","0.005","90","","90","","90","","2246.8","1.8","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H22 Mn N10 -","- C19 H22 Mn N10 -","- C76 H88 Mn4 N40 -","4","0.5","","Tong, Ming-Liang; Ru, Jie; Wu, Yin-Miao; Chen, Xiao-Ming; Chang, Ho-Chol; Mochizuki, K.; Kitagawa, S.","Cation-templated construction of three-dimensional α-Po cubic-type [M(dca)3]‒ networks. Syntheses, structures and magnetic properties of A[M(dca)3] (dca = dicyanamide; for A = benzyltributylammonium, M = Mn2+, Co2+; for A = benzyltriethylammonium, M = Mn2+, Fe2+)","New Journal of Chemistry","2003","27","5","779","","10.1039/b300760j","","","0.7107","Molybdenum","","0.0563","0.0412","","","0.1056","0.1133","","","","","","1.082","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050544","12.799","0.005","16.229","0.007","10.577","0.005","90","","90","","90","","2197","1.6","298","2","298","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H22 Fe N10 -","- C19 H22 Fe N10 -","- C76 H88 Fe4 N40 -","4","0.5","","Tong, Ming-Liang; Ru, Jie; Wu, Yin-Miao; Chen, Xiao-Ming; Chang, Ho-Chol; Mochizuki, K.; Kitagawa, S.","Cation-templated construction of three-dimensional α-Po cubic-type [M(dca)3]‒ networks. Syntheses, structures and magnetic properties of A[M(dca)3] (dca = dicyanamide; for A = benzyltributylammonium, M = Mn2+, Co2+; for A = benzyltriethylammonium, M = Mn2+, Fe2+)","New Journal of Chemistry","2003","27","5","779","","10.1039/b300760j","","","0.7107","Molybdenum","","0.0586","0.0329","","","0.0802","0.0891","","","","","","1.063","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050545","10.186","0.0004","11.051","0.0003","7.6536","0.0003","90","","119.445","0.002","90","","750.25","0.05","133","5","133","5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","E,E-isophthalaldoxime","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C32 H32 N8 O8 -","4","0.5","","Eric A. Bruton; Lee Brammer; F. Christopher Pigge; Christer B. Aakeröy; Destin S. Leinen","Hydrogen bond patterns in aromatic and aliphatic dioximes","New J. Chem.","2003","27","7","1084","1094","10.1039/b301045g","","","0.71073","MoKα","","0.0512","0.0423","","","0.1191","0.1245","","","","","","1.065","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050546","3.897","0.002","14.757","0.009","16.305","0.009","90","","91.668","0.014","90","","937.3","0.9","148","5","148","5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","1,3-diacetylbenzemedioxime","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Eric A. Bruton; Lee Brammer; F. Christopher Pigge; Christer B. Aakeröy; Destin S. Leinen","Hydrogen bond patterns in aromatic and aliphatic dioximes","New J. Chem.","2003","27","7","1084","1094","10.1039/b301045g","","","0.71073","MoKα","","0.0902","0.0614","","","0.1467","0.1599","","","","","","1.039","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050547","13.1956","0.0015","12.1099","0.0017","11.8156","0.0017","90","","101.412","0.008","90","","1850.8","0.4","123","5","123","5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","E,E-1,3-benzenediamidioxime","","","- C8 H10 N4 O2 -","- C8 H10 N4 O2 -","- C64 H80 N32 O16 -","8","1","","Eric A. Bruton; Lee Brammer; F. Christopher Pigge; Christer B. Aakeröy; Destin S. Leinen","Hydrogen bond patterns in aromatic and aliphatic dioximes","New J. Chem.","2003","27","7","1084","1094","10.1039/b301045g","","","0.71073","MoKα","","0.1092","0.0475","","","0.0946","0.1146","","","","","","0.974","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050548","13.6142","0.0008","4.5032","0.0003","13.1697","0.0008","90","","107.263","0.004","90","","771.03","0.08","173","5","173","5","","","","","","","","4","C 1 2/c 1","-C 2yc","15","E,E-terephathalaldoxime","","","- C8 H8 N2 O2 -","- C8 H8 N2 O2 -","- C32 H32 N8 O8 -","4","0.5","","Eric A. Bruton; Lee Brammer; F. Christopher Pigge; Christer B. Aakeröy; Destin S. Leinen","Hydrogen bond patterns in aromatic and aliphatic dioximes","New J. Chem.","2003","27","7","1084","1094","10.1039/b301045g","","","0.71073","MoKα","","0.0807","0.0443","","","0.0988","0.1149","","","","","","1.028","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050549","8.1553","0.0014","14.208","0.003","8.5134","0.0014","90","","108.525","0.004","90","","935.3","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-diacetylbenzenedioxime","","","- C10 H12 N2 O2 -","- C10 H12 N2 O2 -","- C40 H48 N8 O8 -","4","1","","Eric A. Bruton; Lee Brammer; F. Christopher Pigge; Christer B. Aakeröy; Destin S. Leinen","Hydrogen bond patterns in aromatic and aliphatic dioximes","New J. Chem.","2003","27","7","1084","1094","10.1039/b301045g","","","0.71073","MoKα","","0.3456","0.1139","","","0.2412","0.3258","","","","","","0.782","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050550","8.401","0.006","4.985","0.005","10.714","0.01","90","","107.41","0.07","90","","428.1","0.7","133","5","133","5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,4-benzenediamidioxime","","","- C8 H10 N4 O2 -","- C8 H10 N4 O2 -","- C16 H20 N8 O4 -","2","0.5","","Eric A. Bruton; Lee Brammer; F. Christopher Pigge; Christer B. Aakeröy; Destin S. Leinen","Hydrogen bond patterns in aromatic and aliphatic dioximes","New J. Chem.","2003","27","7","1084","1094","10.1039/b301045g","","","0.71073","MoKα","","0.0779","0.0425","","","0.0963","0.1108","","","","","","1.017","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050551","16.6296","0.0017","3.6679","0.0003","10.0529","0.001","90","","90","","90","","613.18","0.1","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","Fumaramidioxime","","","- C4 H8 N4 O2 -","- C4 H8 N4 O2 -","- C16 H32 N16 O8 -","4","1","","Eric A. Bruton; Lee Brammer; F. Christopher Pigge; Christer B. Aakeröy; Destin S. Leinen","Hydrogen bond patterns in aromatic and aliphatic dioximes","New J. Chem.","2003","27","7","1084","1094","10.1039/b301045g","","","0.71073","MoKα","","0.0423","0.0368","","","0.0902","0.094","","","","","","1.071","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050552","4.8552","0.0005","5.1714","0.0002","13.2126","0.0008","90","","100.205","0.006","90","","326.5","0.04","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","succinamidioxime","","","- C4 H10 N4 O2 -","- C4 H10 N4 O2 -","- C8 H20 N8 O4 -","2","0.5","","Eric A. Bruton; Lee Brammer; F. Christopher Pigge; Christer B. Aakeröy; Destin S. Leinen","Hydrogen bond patterns in aromatic and aliphatic dioximes","New J. Chem.","2003","27","7","1084","1094","10.1039/b301045g","","","0.71073","MoKα","","0.052","0.0512","","","0.1383","0.1393","","","","","","1.224","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050553","7.7038","0.0009","11.5864","0.0013","10.7693","0.0012","90","","92.691","0.002","90","","960.2","0.19","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C18 H20 Mn N2 O8 -","- C18 H20 Mn N2 O8 -","- C36 H40 Mn2 N4 O16 -","2","0.5","","Ma, Chengbing; Chen, Changneng; Liu, Qiutian; Liao, Daizheng; Li, Licun; Sun, Licheng","Structural transformation mediated by o-, m-, and p-phthalates from two to three dimensions for manganese/phthalate/4,4'-bpy complexes (4,4'-bpy = 4,4'-bipyridine)","New Journal of Chemistry","2003","27","5","890","","10.1039/b301076g","","","0.71073","MoKα","","","0.043","","","0.1008","0.1173","","","","","","1","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050554","10.116","0.002","11.562","0.002","16.084","0.003","90","","102.99","0.03","90","","1833.1","0.6","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C18.5 H15 Mn N2 O5 -","- C18.5 H12 Mn N2 O5.005 -","- C74 H48 Mn4 N8 O20.02 -","4","1","","Ma, Chengbing; Chen, Changneng; Liu, Qiutian; Liao, Daizheng; Li, Licun; Sun, Licheng","Structural transformation mediated by o-, m-, and p-phthalates from two to three dimensions for manganese/phthalate/4,4'-bpy complexes (4,4'-bpy = 4,4'-bipyridine)","New Journal of Chemistry","2003","27","5","890","","10.1039/b301076g","","","0.71073","MoKα","","","0.0631","","","0.1783","0.196","","","","","","1.016","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050555","9.3349","0.0007","10.3142","0.0008","11.4065","0.0008","92.023","0.001","112.864","0.001","116.479","0.002","876.36","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Mn N2 O4 -","- C18 H12 Mn N2 O4 -","- C36 H24 Mn2 N4 O8 -","2","1","","Ma, Chengbing; Chen, Changneng; Liu, Qiutian; Liao, Daizheng; Li, Licun; Sun, Licheng","Structural transformation mediated by o-, m-, and p-phthalates from two to three dimensions for manganese/phthalate/4,4'-bpy complexes (4,4'-bpy = 4,4'-bipyridine)","New Journal of Chemistry","2003","27","5","890","","10.1039/b301076g","","","0.71073","MoKα","","","0.0568","","","0.1379","0.1542","","","","","","1.021","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050556","12.078","0.002","19.01","0.004","18.01","0.004","90","","97.77","0.03","90","","4097.2","1.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","Na(Ru(L')(N)(H2O)).1.4H2O","","","- C10 H20.8 N3 Na O6.4 Ru -","- C10 H12.8 N3 Na O6.4 Ru -","- C100 H128 N30 Na10 O64 Ru10 -","10","5","","Pal, Pankaj K.; Drew, Michael G. B.; Truter, Mary R.; Tocher, Derek A.; Datta, Dipankar","Light-assisted synthesis of a Ru(vi) nitrido complex by the reaction of azide with a Ru(iii) complex","New Journal of Chemistry","2003","27","5","786","","10.1039/b301150j","","","0.71073","MoKα","","0.066","0.0609","","0.1697","0.1597","","","","1.055","1.061","1.061","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050557","7.0936","0.0006","9.8281","0.0006","10.1197","0.0008","80.231","0.002","81.306","0.003","71.641","0.003","656.28","0.09","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Cu N3 O7 -","- C10 H13 Cu N3 O7 -","- C20 H26 Cu2 N6 O14 -","2","1","","José Carranza; Conor Brennan; Jorunn Sletten; Brita Vangdal; Paul Rillema; Francesc Lloret; Miguel Julve","Syntheses, crystal structures and magnetic properties of new oxalato-, croconato- and squarato-containing copper(II) complexes","New J. Chem.","2003","27","12","1775","1783","10.1039/b301212n","","","0.71073","MoKα","","0.0431","0.0305","","","0.0688","0.0716","","","","","","1.052","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050558","8.4848","0.0004","21.1731","0.0012","9.3035","0.0005","90","","111.533","0.002","90","","1554.72","0.14","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 Cu N3 O8 -","- C12 H15 Cu N3 O8 -","- C48 H60 Cu4 N12 O32 -","4","1","","José Carranza; Conor Brennan; Jorunn Sletten; Brita Vangdal; Paul Rillema; Francesc Lloret; Miguel Julve","Syntheses, crystal structures and magnetic properties of new oxalato-, croconato- and squarato-containing copper(II) complexes","New J. Chem.","2003","27","12","1775","1783","10.1039/b301212n","","","0.71073","MoKα","","0.0339","0.0263","","","0.0748","0.0845","","","","","","1.144","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7050559","6.9893","0.0004","9.2227","0.0005","9.8112","0.0005","102.266","0.001","106.779","0.001","103.527","0.001","561.45","0.05","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 Cu N4 O6 -","- C8 H10 Cu N4 O6 -","- C16 H20 Cu2 N8 O12 -","2","1","","José Carranza; Conor Brennan; Jorunn Sletten; Brita Vangdal; Paul Rillema; Francesc Lloret; Miguel Julve","Syntheses, crystal structures and magnetic properties of new oxalato-, croconato- and squarato-containing copper(II) complexes","New J. Chem.","2003","27","12","1775","1783","10.1039/b301212n","","","0.71073","MoKα","","0.0395","0.0304","","","0.0686","0.0709","","","","","","1.074","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050560","6.7113","0.0004","9.2977","0.0005","11.825","0.0006","106.316","0.001","97.995","0.001","107.84","0.001","653.32","0.06","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H8 Cu N4 O6 -","- C13 H8 Cu N4 O6 -","- C26 H16 Cu2 N8 O12 -","2","1","","José Carranza; Conor Brennan; Jorunn Sletten; Brita Vangdal; Paul Rillema; Francesc Lloret; Miguel Julve","Syntheses, crystal structures and magnetic properties of new oxalato-, croconato- and squarato-containing copper(II) complexes","New J. Chem.","2003","27","12","1775","1783","10.1039/b301212n","","","0.71073","MoKα","","0.0335","0.0296","","","0.0796","0.0813","","","","","","1.073","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050561","12.2414","0.0002","13.1257","0.0002","27.1081","0.0004","90","","90","","90","","4355.65","0.12","173","","173","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C32 H27 Cl11 Co N4 O8 -","- C31 H24 Cl11 Co0.5 N4 O8 -","- C124 H96 Cl44 Co2 N16 O32 -","4","0.5","","Grosshans, Philippe; Jouaiti, Abdelaziz; Hosseini, Mir Wais; Kyritsakas, Nathalie","Gradual increase in the dimensionality of cobalt and mercury coordination networks based on conformation of tetradentate tectons","New Journal of Chemistry","2003","27","5","793","","10.1039/b301351k","","","0.71073","Mo-Kα","","0.109","0.08","","0.199","","0.093","","","1.453","","","1.069","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050562","24.274","0.0006","10.8173","0.0003","20.6707","0.0006","90","","123.094","0.005","90","","4547.2","0.3","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Cl12 Hg2 N4 O8 -","- C32.5 H28 Cl12 Hg2 N4 O8 -","- C130 H112 Cl48 Hg8 N16 O32 -","4","0.5","","Grosshans, Philippe; Jouaiti, Abdelaziz; Hosseini, Mir Wais; Kyritsakas, Nathalie","Gradual increase in the dimensionality of cobalt and mercury coordination networks based on conformation of tetradentate tectons","New Journal of Chemistry","2003","27","5","793","","10.1039/b301351k","","","0.71073","Mo-Kα","","0.08","0.038","","0.195","","0.053","","","1.961","","","1.046","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050563","14.763","0.0003","13.2294","0.0003","20.6902","0.0004","90","","91.285","0.005","90","","4039.9","0.15","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Cl6 Hg2 N4 O9 -","- C30 H24 Cl6 Hg2 N4 O9 -","- C120 H96 Cl24 Hg8 N16 O36 -","4","1","","Grosshans, Philippe; Jouaiti, Abdelaziz; Hosseini, Mir Wais; Kyritsakas, Nathalie","Gradual increase in the dimensionality of cobalt and mercury coordination networks based on conformation of tetradentate tectons","New Journal of Chemistry","2003","27","5","793","","10.1039/b301351k","","","0.71073","Mo-Kα","","0.126","0.06","","0.351","","0.074","","","1.518","","","1.017","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050564","13.0678","0.0009","13.0678","0.0009","25.914","0.001","90","","90","","90","","4425.3","0.5","173","","173","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C60 H64 Cl10 Co2 N8 O23 -","- C59 H48 Cl10 Co N8 O22.5 -","- C118 H96 Cl20 Co2 N16 O45 -","2","0.25","","Grosshans, Philippe; Jouaiti, Abdelaziz; Hosseini, Mir Wais; Kyritsakas, Nathalie","Gradual increase in the dimensionality of cobalt and mercury coordination networks based on conformation of tetradentate tectons","New Journal of Chemistry","2003","27","5","793","","10.1039/b301351k","","","0.71073","Mo-Kα","","0.186","0.143","","0.323","","0.173","","","1.726","","","1.041","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050565","16.993","0.0005","19.093","0.0005","18.827","0.0006","90","","102.773","0.001","90","","5957.2","0.3","150","1","150","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","compound 2","compound 2","","- C50 H82 Cl6 Cu F6 Fe2 P5 -","- C50 H82 Cl6 Cu F6 Fe2 P5 -","- C200 H328 Cl24 Cu4 F24 Fe8 P20 -","4","1","","Xavier Sava; Mohand Melaimi; Louis Ricard; François Mathey; Pascal Le Floch","Cationic bis-diphosphaferrocene copper and gold complexes","New J. Chem.","2003","27","8","1233","1239","10.1039/b301408h","","","0.7107","MoKα","","0.0672","0.0421","","","0.0998","0.111","","","","","","1.034","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050566","18.61","0.001","19.96","0.001","19.351","0.001","90","","95.044","0.001","90","","7160.2","0.6","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","compound 6","compound 6","","- C64 H112 Au Cl4 Fe3 P4 -","- C64 H112 Au Cl4 Fe3 P4 -","- C256 H448 Au4 Cl16 Fe12 P16 -","4","1","","Xavier Sava; Mohand Melaimi; Louis Ricard; François Mathey; Pascal Le Floch","Cationic bis-diphosphaferrocene copper and gold complexes","New J. Chem.","2003","27","8","1233","1239","10.1039/b301408h","","","0.71069","MoKα","","0.0763","0.0366","","","0.0709","0.0818","","","","","","0.954","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050567","6.759","0.0002","7.403","0.0002","17.319","0.0005","78.267","0.0012","87.281","0.0013","85.421","0.0016","845.34","0.04","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 N4 -","- C22 H18 N4 -","- C44 H36 N8 -","2","1","","Patra, Goutam Kumar; Goldberg, Israel","The synthesis and characterization of a series of bis-bidentate Schiff base ligands and their coordination complexes with silver(i), copper(i) and zinc(ii) d10 metal ionsElectronic supplementary information (ESI) available: Views of the crystal structures of ligands of 1, 2 and 3. See http://www.rsc.org/suppdata/nj/b3/b301632c/","New Journal of Chemistry","2003","27","7","1124","","10.1039/b301632c","","","0.71073","MoKα","","0.1033","0.0569","","","0.14","0.1673","","","","","","1.039","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050568","9.737","0.0001","11.435","0.0002","14.962","0.0003","91.454","0.0006","102.707","0.0007","112.455","0.0013","1490.79","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H26 Cl2 N6 -","- C35 H26 Cl2 N6 -","- C70 H52 Cl4 N12 -","2","1","","Patra, Goutam Kumar; Goldberg, Israel","The synthesis and characterization of a series of bis-bidentate Schiff base ligands and their coordination complexes with silver(i), copper(i) and zinc(ii) d10 metal ionsElectronic supplementary information (ESI) available: Views of the crystal structures of ligands of 1, 2 and 3. See http://www.rsc.org/suppdata/nj/b3/b301632c/","New Journal of Chemistry","2003","27","7","1124","","10.1039/b301632c","","","0.71073","MoKα","","0.0991","0.0505","","","0.1166","0.1429","","","","","","1.015","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050569","6.234","0.0001","9.344","0.0002","12.612","0.0003","70.957","0.0009","77.614","0.0009","84.16","0.0015","677.89","0.02","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H20 Cl6 N4 -","- C28 H20 Cl6 N4 -","- C28 H20 Cl6 N4 -","1","0.5","","Patra, Goutam Kumar; Goldberg, Israel","The synthesis and characterization of a series of bis-bidentate Schiff base ligands and their coordination complexes with silver(i), copper(i) and zinc(ii) d10 metal ionsElectronic supplementary information (ESI) available: Views of the crystal structures of ligands of 1, 2 and 3. See http://www.rsc.org/suppdata/nj/b3/b301632c/","New Journal of Chemistry","2003","27","7","1124","","10.1039/b301632c","","","0.71073","MoKα","","0.0397","0.0313","","","0.0739","0.0784","","","","","","1.032","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050570","18.187","0.0003","13.89","0.0002","20.118","0.0004","90","","107.45","0.0007","90","","4848.27","0.14","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 Ag Cl N5 O4 -","- C24 H21 Ag Cl N5 O4 -","- C192 H168 Ag8 Cl8 N40 O32 -","8","1","","Patra, Goutam Kumar; Goldberg, Israel","The synthesis and characterization of a series of bis-bidentate Schiff base ligands and their coordination complexes with silver(i), copper(i) and zinc(ii) d10 metal ionsElectronic supplementary information (ESI) available: Views of the crystal structures of ligands of 1, 2 and 3. See http://www.rsc.org/suppdata/nj/b3/b301632c/","New Journal of Chemistry","2003","27","7","1124","","10.1039/b301632c","","","0.71073","MoKα","","0.0569","0.0362","","","0.0846","0.0933","","","","","","1.066","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050571","11.93","0.0002","36.537","0.0005","21.251","0.0004","90","","97.714","0.0005","90","","9179.2","0.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H90 Cl4 Cu4 N16 O19 -","- C94.5 H78 Cl4 Cu4 N16 O18.5 -","- C378 H312 Cl16 Cu16 N64 O74 -","4","1","","Patra, Goutam Kumar; Goldberg, Israel","The synthesis and characterization of a series of bis-bidentate Schiff base ligands and their coordination complexes with silver(i), copper(i) and zinc(ii) d10 metal ionsElectronic supplementary information (ESI) available: Views of the crystal structures of ligands of 1, 2 and 3. See http://www.rsc.org/suppdata/nj/b3/b301632c/","New Journal of Chemistry","2003","27","7","1124","","10.1039/b301632c","","","0.71073","MoKα","","0.157","0.0881","","","0.2265","0.2695","","","","","","1.011","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050572","27.99","0.0003","12.744","0.0002","22.665","0.0003","90","","125.802","0.0006","90","","6557.04","0.16","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C35 H26 Ag Cl3 N6 O4 -","- C35 H26 Ag Cl3 N6 O4 -","- C280 H208 Ag8 Cl24 N48 O32 -","8","1","","Patra, Goutam Kumar; Goldberg, Israel","The synthesis and characterization of a series of bis-bidentate Schiff base ligands and their coordination complexes with silver(i), copper(i) and zinc(ii) d10 metal ionsElectronic supplementary information (ESI) available: Views of the crystal structures of ligands of 1, 2 and 3. See http://www.rsc.org/suppdata/nj/b3/b301632c/","New Journal of Chemistry","2003","27","7","1124","","10.1039/b301632c","","","0.71073","MoKα","","0.071","0.0415","","","0.0911","0.1026","","","","","","1.02","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050573","12.835","0.0002","41.482","0.0007","13.305","0.0003","90","","110.628","0.0009","90","","6629.7","0.2","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C75 H64 Cl4 Cu2 N12 O8 -","- C74.5 H48 Cl4 Cu2 N12 O8 -","- C298 H192 Cl16 Cu8 N48 O32 -","4","1","","Patra, Goutam Kumar; Goldberg, Israel","The synthesis and characterization of a series of bis-bidentate Schiff base ligands and their coordination complexes with silver(i), copper(i) and zinc(ii) d10 metal ionsElectronic supplementary information (ESI) available: Views of the crystal structures of ligands of 1, 2 and 3. See http://www.rsc.org/suppdata/nj/b3/b301632c/","New Journal of Chemistry","2003","27","7","1124","","10.1039/b301632c","","","0.71073","MoKα","","0.1475","0.0783","","","0.1779","0.2153","","","","","","0.967","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050574","18.816","0.0003","12.621","0.0002","20.357","0.0004","90","","107.689","0.0007","90","","4605.75","0.14","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C43 H43.5 Cl2 N8.5 O10 Zn -","- C40.25 H31.5 Cl2 N8.5 O9.5 Zn -","- C161 H126 Cl8 N34 O38 Zn4 -","4","1","","Patra, Goutam Kumar; Goldberg, Israel","The synthesis and characterization of a series of bis-bidentate Schiff base ligands and their coordination complexes with silver(i), copper(i) and zinc(ii) d10 metal ionsElectronic supplementary information (ESI) available: Views of the crystal structures of ligands of 1, 2 and 3. See http://www.rsc.org/suppdata/nj/b3/b301632c/","New Journal of Chemistry","2003","27","7","1124","","10.1039/b301632c","","","0.71073","MoKα","","0.1021","0.0678","","","0.1787","0.202","","","","","","1.024","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7050575","7.7707","0.0005","13.2573","0.0008","11.5427","0.0007","90","","101.027","0.001","90","","1167.16","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Baicalein","","","- C15 H10 O5 -","- C15 H10 O5 -","- C60 H40 O20 -","4","1","","David E. Hibbs; Jacob Overgaard; Carlo Gatti; Trevor W. Hambley","The electron density in flavones I. Baicalein","New J. Chem.","2003","27","9","1392","1398","10.1039/b301740k","","","0.71073","MoKα","","0.169","0.043","","","0.033","0.035","","","","","","2.19","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050576","11.888","0.006","7.87","0.004","17.378","0.009","90","","100.736","0.009","90","","1597.4","1.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 Ag F3 N O2 S -","- C15 H12 Ag F3 N O2 S -","- C60 H48 Ag4 F12 N4 O8 S4 -","4","1","","Chen, Chun-Long; Su, Cheng-Yong; Cai, Yue-Peng; Zhang, Hua-Xin; Xu, An-Wu; Kang, Bei-Sheng","A non-interpenetrating 2D coordination polymer from a (CH2)8 spacer-based highly flexible linear ligand and AgCF3CO2Electronic supplementary information (ESI) available: 1H NMR spectra and data for C8TQ and complex 1 and the 3-D structure of complex 1. See http://www.rsc.org/suppdata/nj/b3/b301777j","New Journal of Chemistry","2003","27","5","790","","10.1039/b301777j","","","0.71073","MoKα","","0.0574","0.0421","","","0.1176","0.1295","","","","","","1.064","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050577","39.241","0.0014","12.4804","0.0005","24.5612","0.0009","90","","113.129","0.003","90","","11061.9","0.8","115","2","115","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C115 H82 B2 Cl2 F48 N6 Pt2 -","- C115 H78 B2 Cl2 F48 N6 Pt2 -","- C460 H312 B8 Cl8 F192 N24 Pt8 -","4","0.5","","Vedernikov, Andrei N.; Huffman, John C.; Caulton, Kenneth G.","[2.1.1]-(2,6)-Pyridinophane(L)-controlled alkane C‒H bond cleavage: (L)PtMe2H+ as a precursor to the geometrically “tense” transient (L)PtMe+Electronic supplementary information (ESI) available: complete experimental and characterization data. See http://www.rsc.org/suppdata/nj/b3/b302055j/.","New Journal of Chemistry","2003","27","4","665","","10.1039/b302055j","","","0.71073","MoKα","","","0.0336","","","","0.0432","","","","","","1.541","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050578","13.0056","0.0002","13.7548","0.0001","30.0991","0.0004","90","","90","","90","","5384.41","0.12","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C36 H54 N4 O26 P8 Pb5 -","- C36 H50 N4 O26 P8 Pb5 -","- C144 H200 N16 O104 P32 Pb20 -","4","0.5","","Sun, Zhong-Ming; Mao, Jiang-Gao; Sun, Yan-Qiong; Zeng, Hui-Yi; Clearfield, Abraham","Hydrothermal synthesis, characterization and crystal structures of two new layered lead(ii) diphosphonates","New Journal of Chemistry","2003","27","9","1326","","10.1039/b302240b","","","0.71073","MoKα","","0.0776","0.0516","","","0.1137","0.1287","","","","","","1.117","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050579","7.409","0.0015","7.666","0.0015","7.0421","0.0014","90","","116.04","0.03","90","","359.37","0.15","273","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 H4 O4 -","- B2 H4 O4 -","- B8 H16 O16 -","4","1","","Baber, R. Angharad; Norman, Nicholas C.; Orpen, A. Guy; Rossi, Jean","The solid-state structure of diboronic acid, B2(OH)4","New Journal of Chemistry","2003","27","5","773","","10.1039/b302496m","","","0.71073","MoKα","","0.0735","0.0557","","","0.1261","0.1391","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050580","12.5721","0.0009","12.5721","0.0009","60.565","0.006","90","","90","","120","","8290.3","1.2","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","Gd picolinate","","","- C48 H38 Gd2 N8 Na2 O19 -","- C48 H32 Gd2 N8 Na2 O19 -","- C288 H192 Gd12 N48 Na12 O114 -","6","0.5","","Sendor, Dorota; Hilder, Matthias; Juestel, Thomas; Junk, Peter C.; Kynast, Ulrich H.","One dimensional energy transfer in lanthanoid picolinates. Correlation of structure and spectroscopy","New Journal of Chemistry","2003","27","7","1070","","10.1039/b302499g","","","0.71073","MoKα","","0.0823","0.0815","","","0.1822","0.1825","","","","","","1.366","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050581","12.6063","0.0006","12.6063","0.0006","60.457","0.004","90","","90","","120","","8320.6","0.8","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","picolinates","","","- C48 H38 Eu2 N8 Na2 O19 -","- C48 H32 Eu2 N8 Na2 O19 -","- C288 H192 Eu12 N48 Na12 O114 -","6","0.5","","Sendor, Dorota; Hilder, Matthias; Juestel, Thomas; Junk, Peter C.; Kynast, Ulrich H.","One dimensional energy transfer in lanthanoid picolinates. Correlation of structure and spectroscopy","New Journal of Chemistry","2003","27","7","1070","","10.1039/b302499g","","","0.71073","MoKα","","0.0791","0.0787","","","0.1992","0.1993","","","","","","1.308","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050582","12.5741","0.0006","12.5741","0.0006","60.399","0.004","90","","90","","120","","8270.2","0.8","296","2","296","2","","","","","","","","6","P 61 2 2","P 61 2 (0 0 5)","178","matze Tb","","","- C48 H38 N8 Na2 O19 Tb2 -","- C48 H32 N8 Na2 O19 Tb2 -","- C288 H192 N48 Na12 O114 Tb12 -","6","0.5","","Sendor, Dorota; Hilder, Matthias; Juestel, Thomas; Junk, Peter C.; Kynast, Ulrich H.","One dimensional energy transfer in lanthanoid picolinates. Correlation of structure and spectroscopy","New Journal of Chemistry","2003","27","7","1070","","10.1039/b302499g","","","0.71073","MoKα","","0.0652","0.0604","","","0.1536","0.1569","","","","","","1.077","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050583","12.7708","0.0007","12.7708","0.0007","62.46","0.005","90","","90","","120","","8822","1","296","2","296","2","","","","","","","","5","P 65 2 2","P 65 2 (0 0 1)","179","(NH4)(TbL4)","","","- C24 H24 N5 O10 Tb -","- C24 H16 N5 O10 Tb -","- C288 H192 N60 O120 Tb12 -","12","1","","Sendor, Dorota; Hilder, Matthias; Juestel, Thomas; Junk, Peter C.; Kynast, Ulrich H.","One dimensional energy transfer in lanthanoid picolinates. Correlation of structure and spectroscopy","New Journal of Chemistry","2003","27","7","1070","","10.1039/b302499g","","","0.71073","MoKα","","0.0985","0.0982","","","0.2237","0.2239","","","","","","1.344","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050584","12.5245","0.0018","12.5245","0.0018","60.47","0.012","90","","90","","120","","8215","2","296","2","296","2","","","","","","","","6","P 65 2 2","P 65 2 (0 0 1)","179","picolinates","","","- C48 H38 Ho2 N8 Na2 O19 -","- C48 H32 Ho2 N8 Na2 O19 -","- C288 H192 Ho12 N48 Na12 O114 -","6","0.5","","Sendor, Dorota; Hilder, Matthias; Juestel, Thomas; Junk, Peter C.; Kynast, Ulrich H.","One dimensional energy transfer in lanthanoid picolinates. Correlation of structure and spectroscopy","New Journal of Chemistry","2003","27","7","1070","","10.1039/b302499g","","","0.71073","MoKα","","0.0518","0.0495","","","0.1231","0.1245","","","","","","1.15","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050585","27.894","0.006","14.665","0.003","21.659","0.004","90","","126.01","0.03","90","","7167","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H28 Br4 Cl4 O4 -","- C33 H28 Br4 Cl4 O4 -","- C264 H224 Br32 Cl32 O32 -","8","1","","Baudry, Roselyne; Felix, Caroline; Bavoux, Claude; Perrin, Monique; Vocanson, Francis; Dumazet-Bonnamour, Isabelle; Lamartine, Roger","Biaryl cross-coupling reactions: convenient routes to new functionalized calix[8]arenes","New Journal of Chemistry","2003","27","10","1540","","10.1039/b302613b","","","0.71073","MoKα","","0.1806","0.074","","","0.147","0.2033","","","","","","1.043","","","","has coordinates,has disorder","301851","2025-08-21","20:32:33",""
"7050586","32.628","0.007","11.079","0.003","17.333","0.004","90","","101.969","0.01","90","","6129","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C34 H25 F3 N3 O2 P Pd -","- C34 H25 F3 N3 O2 P Pd -","- C272 H200 F24 N24 O16 P8 Pd8 -","8","1","","José Pérez; Luis García; Eduardo Pérez; José Luis Serrano; José Francisco Martínez; Gregorio Sánchez; Gregorio López; Arturo Espinosa; Malva Liu; Franciso Sanz","Solid state conformational and theoretical study of complexes containing the (CxN)Pd moiety (CxN = 2-(phenylazo)phenyl-C,N and its derivatives)","New J. Chem.","2003","27","10","1490","1496","10.1039/b302653a","","","0.71073","MoKα","","0.0925","0.041","","","0.0946","0.1213","","","","","","0.921","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050587","15.001","0.0002","15.741","0.0002","18.139","0.0003","92.767","0.0006","105.623","0.0007","114.954","0.0005","3675.01","0.09","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C37.13 H34.25 Cl0.25 N3 O5 P Pd -","- C37.125 H34.25 Cl0.25 N3 O5 P Pd -","- C148.5 H137 Cl N12 O20 P4 Pd4 -","4","2","","José Pérez; Luis García; Eduardo Pérez; José Luis Serrano; José Francisco Martínez; Gregorio Sánchez; Gregorio López; Arturo Espinosa; Malva Liu; Franciso Sanz","Solid state conformational and theoretical study of complexes containing the (CxN)Pd moiety (CxN = 2-(phenylazo)phenyl-C,N and its derivatives)","New J. Chem.","2003","27","10","1490","1496","10.1039/b302653a","","","0.71073","MoKα","","0.1071","0.0531","","","0.1503","0.1849","","","","","","1.016","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050588","14.288","0.0011","16.726","0.0015","12.104","0.002","90","","112.836","0.004","90","","2665.9","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N3 O2 P Pd -","- C29 H26 N3 O2 P Pd -","- C116 H104 N12 O8 P4 Pd4 -","4","1","","José Pérez; Luis García; Eduardo Pérez; José Luis Serrano; José Francisco Martínez; Gregorio Sánchez; Gregorio López; Arturo Espinosa; Malva Liu; Franciso Sanz","Solid state conformational and theoretical study of complexes containing the (CxN)Pd moiety (CxN = 2-(phenylazo)phenyl-C,N and its derivatives)","New J. Chem.","2003","27","10","1490","1496","10.1039/b302653a","","","0.71073","MoKα","","0.1397","0.061","","","0.1215","0.1492","","","","","","1.015","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7050589","10.863","0.0011","10.863","0.0011","9.1947","0.0014","90","","90","","90","","1085","0.2","301","2","301","2","","","","","","","","5","P 42/m b c","-P 4c 2ab","135","","","","- C3 H4 N2 O3 S -","- C3 H4 N2 O3 S -","- C24 H32 N16 O24 S8 -","8","0.5","","Mezei, Gellert; Raptis, Raphael G.","Pyrazole-4-sulfonate networks of alkali and alkaline-earth metals. Effect of cation size, charge, H-bonding and aromatic interactions on the three-dimensional supramolecular architecture","New Journal of Chemistry","2003","27","9","1399","","10.1039/b303096b","","","0.71073","MoKα","","0.0253","0.0241","","","0.0679","0.0698","","","","","","1.076","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050590","9.979","0.003","7.848","0.003","20.583","0.007","90","","90","","90","","1612","1","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C3 H7 N2 Na O5 S -","- C3 H7 N2 Na O5 S -","- C24 H56 N16 Na8 O40 S8 -","8","1","","Mezei, Gellert; Raptis, Raphael G.","Pyrazole-4-sulfonate networks of alkali and alkaline-earth metals. Effect of cation size, charge, H-bonding and aromatic interactions on the three-dimensional supramolecular architecture","New Journal of Chemistry","2003","27","9","1399","","10.1039/b303096b","","","0.71073","MoKα","","0.0333","0.0318","","","0.0841","0.0851","","","","","","1.071","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050591","8.1743","0.0012","8.9723","0.0013","19.912","0.003","90","","90","","90","","1460.4","0.4","298","2","298","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C3 H5 K N2 O4 S -","- C3 H5 K N2 O4 S -","- C24 H40 K8 N16 O32 S8 -","8","1","","Mezei, Gellert; Raptis, Raphael G.","Pyrazole-4-sulfonate networks of alkali and alkaline-earth metals. Effect of cation size, charge, H-bonding and aromatic interactions on the three-dimensional supramolecular architecture","New Journal of Chemistry","2003","27","9","1399","","10.1039/b303096b","","","0.71073","MoKα","","0.064","0.0568","","","0.1464","0.1517","","","","","","1.05","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050592","5.9972","0.0006","9.2102","0.0009","12.9567","0.0013","76.536","0.002","89.264","0.002","79.057","0.002","682.98","0.12","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C6 H12 Ca N4 O9 S2 -","- C6 H12 Ca N4 O9 S2 -","- C12 H24 Ca2 N8 O18 S4 -","2","1","","Mezei, Gellert; Raptis, Raphael G.","Pyrazole-4-sulfonate networks of alkali and alkaline-earth metals. Effect of cation size, charge, H-bonding and aromatic interactions on the three-dimensional supramolecular architecture","New Journal of Chemistry","2003","27","9","1399","","10.1039/b303096b","","","0.71073","MoKα","","0.0349","0.033","","","0.0917","0.094","","","","","","1.069","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050593","11.3856","0.0014","4.9098","0.0006","24.348","0.003","90","","90.702","0.002","90","","1361","0.3","300","2","300","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 Ba N4 O8 S2 -","- C6 H10 Ba N4 O8 S2 -","- C24 H40 Ba4 N16 O32 S8 -","4","1","","Mezei, Gellert; Raptis, Raphael G.","Pyrazole-4-sulfonate networks of alkali and alkaline-earth metals. Effect of cation size, charge, H-bonding and aromatic interactions on the three-dimensional supramolecular architecture","New Journal of Chemistry","2003","27","9","1399","","10.1039/b303096b","","","0.71073","MoKα","","0.0243","0.0217","","","0.0754","0.0762","","","","","","1.262","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050594","8.1875","0.0012","13.3925","0.0019","15.778","0.002","92.796","0.003","92.386","0.003","101.263","0.003","1692.4","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","janaB","","","- C28.5 H35 N10 O14.5 -","- C28.5 H32 N10 O14.5 -","- C57 H64 N20 O29 -","2","1","","Martin Chadim; Pilar Díaz; Enrique García-España; Jana Hodacova; Peter C. Junk; Julio Latorre; José M. Llinares; Conxa Soriano; Jiri Zavada","Copper(II) and Zn(II) coordination chemistry of tetraaza[n]cyclophanes","New J. Chem.","2003","27","7","1132","1139","10.1039/b303470d","","","0.71073","MoKα","","0.0989","0.0714","","","0.2123","0.2435","","","","","","1.051","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7050595","9.452","0.0002","11","0.0003","19.359","0.0007","90","","90","","90","","2012.79","0.1","293","2","293","2","","","","","","","","6","P m n b","-P 2bc 2a","62","","","","- C15 H26 Cl2 Cu N4 O4 -","- C15 H28 Cl2 Cu N4 O4 -","- C60 H112 Cl8 Cu4 N16 O16 -","4","0.5","","Martin Chadim; Pilar Díaz; Enrique García-España; Jana Hodacova; Peter C. Junk; Julio Latorre; José M. Llinares; Conxa Soriano; Jiri Zavada","Copper(II) and Zn(II) coordination chemistry of tetraaza[n]cyclophanes","New J. Chem.","2003","27","7","1132","1139","10.1039/b303470d","","","0.71073","MoKα","","0.1042","0.0439","","","0.128","0.1754","","","","","","1.006","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050596","7.105","0.0002","11.219","0.0003","12.264","0.0004","98.202","0.0011","95.208","0.0011","92.828","0.0013","961.66","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H28 Cl2 N4 O Zn -","- C15 H28 Cl2 N4 O Zn -","- C30 H56 Cl4 N8 O2 Zn2 -","2","1","","Martin Chadim; Pilar Díaz; Enrique García-España; Jana Hodacova; Peter C. Junk; Julio Latorre; José M. Llinares; Conxa Soriano; Jiri Zavada","Copper(II) and Zn(II) coordination chemistry of tetraaza[n]cyclophanes","New J. Chem.","2003","27","7","1132","1139","10.1039/b303470d","","","0.71073","MoKα","","0.048","0.0361","","","0.1062","0.1169","","","","","","0.877","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050597","10.9563","0.0009","11.6745","0.0009","17.633","0.001","108.25","0.002","104.354","0.002","95.475","0.002","2038.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H108 Co2 N10 Si4 -","- C78 H108 Co2 N10 Si4 -","- C78 H108 Co2 N10 Si4 -","1","0.5","","Kay Lee, Hung; Suet Lam, Tung; Lam, Chi-Keung; Li, Hung-Wing; Man Fung, Sze","Synthesis and structural characterisation of divalent transition metal complexes containing an unsymmetrical benzamidinate ligandElectronic supplementary information (ESI) available: inclination angles in complexes 1?6. See http://www.rsc.org/suppdata/nj/b3/b303527a//","New Journal of Chemistry","2003","27","9","1310","","10.1039/b303527a","","","0.71073","MoKα","","0.0802","0.0465","","","0.1172","0.1312","","","","","","0.943","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050598","10.414","0.004","18.633","0.007","23.86","0.009","90","","93.964","0.008","90","","4619","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H62 Fe N6 Si2 -","- C42 H54 Fe N6 Si2 -","- C168 H216 Fe4 N24 Si8 -","4","1","","Kay Lee, Hung; Suet Lam, Tung; Lam, Chi-Keung; Li, Hung-Wing; Man Fung, Sze","Synthesis and structural characterisation of divalent transition metal complexes containing an unsymmetrical benzamidinate ligandElectronic supplementary information (ESI) available: inclination angles in complexes 1?6. See http://www.rsc.org/suppdata/nj/b3/b303527a//","New Journal of Chemistry","2003","27","9","1310","","10.1039/b303527a","","","0.71073","MoKα","","0.1026","0.0503","","","0.134","0.154","","","","","","0.91","","","","has coordinates,has disorder","180059","2020-10-21","18:00:00",""
"7050599","7.9613","0.0008","10.053","0.001","18.0261","0.0019","92.056","0.002","98.285","0.002","101.881","0.002","1393.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H39 Cl Fe N4 Si -","- C24 H39 Cl Fe N4 Si -","- C48 H78 Cl2 Fe2 N8 Si2 -","2","1","","Kay Lee, Hung; Suet Lam, Tung; Lam, Chi-Keung; Li, Hung-Wing; Man Fung, Sze","Synthesis and structural characterisation of divalent transition metal complexes containing an unsymmetrical benzamidinate ligandElectronic supplementary information (ESI) available: inclination angles in complexes 1?6. See http://www.rsc.org/suppdata/nj/b3/b303527a//","New Journal of Chemistry","2003","27","9","1310","","10.1039/b303527a","","","0.71073","MoKα","","0.0853","0.0424","","","0.0923","0.1083","","","","","","0.905","","","","has coordinates","180059","2020-10-21","18:00:00",""
"7050600","12.3641","0.0009","12.4981","0.0009","14.4849","0.0011","97.98","0.001","109.071","0.002","114.916","0.001","1816","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 N4 Ni Si2 -","- C36 H46 N4 Ni Si2 -","- C72 H92 N8 Ni2 Si4 -","2","1","","Kay Lee, Hung; Suet Lam, Tung; Lam, Chi-Keung; Li, Hung-Wing; Man Fung, Sze","Synthesis and structural characterisation of divalent transition metal complexes containing an unsymmetrical benzamidinate ligandElectronic supplementary information (ESI) available: inclination angles in complexes 1?6. See http://www.rsc.org/suppdata/nj/b3/b303527a//","New Journal of Chemistry","2003","27","9","1310","","10.1039/b303527a","","","0.71073","MoKα","","0.056","0.0404","","","0.1161","0.1241","","","","","","1.046","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050601","8.2152","0.0008","25.198","0.002","13.1402","0.0012","90","","93.696","0.002","90","","2714.5","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H39 Li N4 Si -","- C24 H39 Li N4 Si -","- C96 H156 Li4 N16 Si4 -","4","1","","Kay Lee, Hung; Suet Lam, Tung; Lam, Chi-Keung; Li, Hung-Wing; Man Fung, Sze","Synthesis and structural characterisation of divalent transition metal complexes containing an unsymmetrical benzamidinate ligandElectronic supplementary information (ESI) available: inclination angles in complexes 1?6. See http://www.rsc.org/suppdata/nj/b3/b303527a//","New Journal of Chemistry","2003","27","9","1310","","10.1039/b303527a","","","0.71073","MoKα","","0.1258","0.0478","","","0.1213","0.1496","","","","","","0.853","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050602","32.691","0.005","13.883","0.002","20.286","0.003","90","","106.162","0.004","90","","8843","2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C85 H115 Mn2 N10 Si4 -","- C85 H115 Mn2 N10 Si4 -","- C340 H460 Mn8 N40 Si16 -","4","0.5","","Kay Lee, Hung; Suet Lam, Tung; Lam, Chi-Keung; Li, Hung-Wing; Man Fung, Sze","Synthesis and structural characterisation of divalent transition metal complexes containing an unsymmetrical benzamidinate ligandElectronic supplementary information (ESI) available: inclination angles in complexes 1?6. See http://www.rsc.org/suppdata/nj/b3/b303527a//","New Journal of Chemistry","2003","27","9","1310","","10.1039/b303527a","","","0.71073","MoKα","","0.1635","0.053","","","0.1206","0.1511","","","","","","0.821","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050604","8.333","0.003","12.671","0.004","7.96","0.003","90","","91.191","0.005","90","","840.3","0.5","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H9 N O4 -","- C8 H9 N O4 -","- C32 H36 N4 O16 -","4","1","","Li, Rongqing; Larsen, David S.; Brooker, Sally","Syntheses, structures and tautomers of 2,5-disubstituted pyrroles","New Journal of Chemistry","2003","27","9","1353","","10.1039/b303829g","","","0.71073","MoKα","","0.0735","0.0444","","","0.1043","0.1211","","","","","","1.036","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050605","9.089","0.003","13.036","0.004","10.604","0.003","90","","100.047","0.004","90","","1237.1","0.7","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H17 N O4 -","- C12 H17 N O4 -","- C48 H68 N4 O16 -","4","1","","Li, Rongqing; Larsen, David S.; Brooker, Sally","Syntheses, structures and tautomers of 2,5-disubstituted pyrroles","New Journal of Chemistry","2003","27","9","1353","","10.1039/b303829g","","","0.71073","MoKα","","0.0402","0.0362","","","0.0927","0.0967","","","","","","1.046","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050606","8.0698","0.0019","8.102","0.002","18.278","0.003","90","","98.426","0.014","90","","1182.1","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","trans-Dichlorobis(triallylarsine)palladium(ii)","trans-Dichlorobis(triallylarsine)palladium(II)","","- C18 H30 As2 Cl2 Pd -","- C18 H30 As2 Cl2 Pd -","- C36 H60 As4 Cl4 Pd2 -","2","0.5","","Phadnis, Prasad P.; Jain, Vimal K.; Klein, Axel; Schurr, Thilo; Kaim, Wolfgang","Tri(allyl)- and tri(methylallyl)arsine complexes of palladium(ii) and platinum(ii): synthesis, spectroscopy, photochemistry and structures","New Journal of Chemistry","2003","27","11","1584","","10.1039/b303990k","","","0.71073","MoKα","","0.0902","0.0465","","","0.098","0.1142","","","","","","1.026","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050607","8.2198","0.0001","18.4134","0.0001","49.8803","0.0005","90","","90","0.005","90","","7549.61","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","trans-Dibromobis(triallylarsine)palladium(ii)","trans-Dibromobis(triallylarsine)palladium(II)","","- C18 H30 As2 Br2 Pd -","- C18 H30 As2 Br2 Pd -","- C216 H360 As24 Br24 Pd12 -","12","1.5","","Phadnis, Prasad P.; Jain, Vimal K.; Klein, Axel; Schurr, Thilo; Kaim, Wolfgang","Tri(allyl)- and tri(methylallyl)arsine complexes of palladium(ii) and platinum(ii): synthesis, spectroscopy, photochemistry and structures","New Journal of Chemistry","2003","27","11","1584","","10.1039/b303990k","","","0.71073","MoKα","","0.0841","0.0539","","","0.1183","0.127","","","","","","1.301","","","","has coordinates,has disorder","301851","2025-08-21","20:32:33",""
"7050608","7.982","0.0009","9.366","0.002","10.1692","0.0009","68.166","0.012","82.138","0.009","77.166","0.011","686.84","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","trans-Dichlorobis(tri(methylallyl)arsine)palladium(ii)","trans-Dichlorobis(tri(methylallyl)arsine)palladium(II)","","- C24 H42 As2 Cl2 Pd -","- C24 H42 As2 Cl2 Pd -","- C24 H42 As2 Cl2 Pd -","1","0.5","","Phadnis, Prasad P.; Jain, Vimal K.; Klein, Axel; Schurr, Thilo; Kaim, Wolfgang","Tri(allyl)- and tri(methylallyl)arsine complexes of palladium(ii) and platinum(ii): synthesis, spectroscopy, photochemistry and structures","New Journal of Chemistry","2003","27","11","1584","","10.1039/b303990k","","","0.71073","MoKα","","0.0485","0.0365","","","0.0937","0.0992","","","","","","1.14","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050609","8.8295","0.0017","9.4059","0.0014","9.5258","0.0019","108.471","0.013","103.331","0.014","96.937","0.012","713.9","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","trans-Dibromobis(tri(methylallyl)arsine)palladium(ii)","trans-Dibromobis(tri(methylallyl)arsine)palladium(II)","","- C24 H42 As2 Br2 Pd -","- C24 H42 As2 Br2 Pd -","- C24 H42 As2 Br2 Pd -","1","0.5","","Phadnis, Prasad P.; Jain, Vimal K.; Klein, Axel; Schurr, Thilo; Kaim, Wolfgang","Tri(allyl)- and tri(methylallyl)arsine complexes of palladium(ii) and platinum(ii): synthesis, spectroscopy, photochemistry and structures","New Journal of Chemistry","2003","27","11","1584","","10.1039/b303990k","","","0.71073","MoKα","","0.052","0.036","","","0.0835","0.0895","","","","","","1.042","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050610","8.6461","0.0016","9.4107","0.0017","9.532","0.003","108.19","0.017","102.878","0.018","97.604","0.014","701","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","trans-Dichlorobis(tri(methylallyl)arsine)platinum(ii)","trans-Dichlorobis(tri(methylallyl)arsine)platinum(II)","","- C24 H42 As2 Cl2 Pt -","- C24 H42 As2 Cl2 Pt -","- C24 H42 As2 Cl2 Pt -","1","0.5","","Phadnis, Prasad P.; Jain, Vimal K.; Klein, Axel; Schurr, Thilo; Kaim, Wolfgang","Tri(allyl)- and tri(methylallyl)arsine complexes of palladium(ii) and platinum(ii): synthesis, spectroscopy, photochemistry and structures","New Journal of Chemistry","2003","27","11","1584","","10.1039/b303990k","","","0.71073","MoKα","","0.0349","0.0293","","","0.07","0.0728","","","","","","1.034","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050611","7.7802","0.0015","10.0937","0.0016","20.62","0.003","94.326","0.012","98.76","0.013","100.107","0.014","1566.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","trans-μ-Dichlorobis(chloro-tri(methylallyl)arsinepalladium(ii))","trans-μ-Dichlorobis(chloro-tri(methylallyl)arsinepalladium(II))","","- C24 H42 As2 Cl4 Pd2 -","- C24 H42 As2 Cl4 Pd2 -","- C48 H84 As4 Cl8 Pd4 -","2","1","","Phadnis, Prasad P.; Jain, Vimal K.; Klein, Axel; Schurr, Thilo; Kaim, Wolfgang","Tri(allyl)- and tri(methylallyl)arsine complexes of palladium(ii) and platinum(ii): synthesis, spectroscopy, photochemistry and structures","New Journal of Chemistry","2003","27","11","1584","","10.1039/b303990k","","","0.71073","MoKα","","0.0747","0.049","","","0.1162","0.127","","","","","","1.189","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050612","16.749","0.003","23.587","0.005","17.758","0.004","90","","116.76","0.03","90","","6264","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H30 Cl2 N6 O4 -","- C31 H30 Cl2 N6 O4 -","- C248 H240 Cl16 N48 O32 -","8","2","","Nabih, Khadija; Baouid, Abdesselam; Hasnaoui, Aissa; Selkti, Mohamed; Compain, Philippe","1,3-Dipolar cycloaddition of nitrilimines to 2,4-disubstituted-3H-1,5-benzodiazepines: remarkable effect of C4-substituent on diastereoselectivity","New Journal of Chemistry","2003","27","11","1644","","10.1039/b303995c","","","0.71073","MoKα","","0.0614","0.0612","","","0.1546","0.1549","","","","","","1.06","","","","has coordinates,has disorder","301851","2025-08-21","20:32:33",""
"7050613","8.2308","0.0001","10.5652","0.0001","14.6405","0.0002","90","","95.159","0.001","90","","1267.98","0.03","123","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","p11(NMes2)","N,N-dimethylpyrrolidinium dbis(methylsunphonyl)amide","","- C8 H20 N2 O4 S2 -","- C8 H20 N2 O4 S2 -","- C32 H80 N8 O16 S8 -","4","1","","Pringle, Jennifer M.; Golding, Jake; Baranyai, Krisztian; Forsyth, Craig M.; Deacon, Glen B.; Scott, Janet L.; MacFarlane, Douglas R.","The effect of anion fluorination in ionic liquids?physical properties of a range of bis(methanesulfonyl)amide salts","New Journal of Chemistry","2003","27","10","1504","","10.1039/b304072k","","","0.71073","MoKα","","0.0466","0.0308","","","0.0776","0.0819","","","","","","1.085","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050614","33.348","0.007","11.02","0.002","32.188","0.006","90","","110.03","0.03","90","","11113","4","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[{Na(AMPTMS)(THF)0.5}n]","","","- C11 H19 N2 Na O0.5 Si -","- C11 H19 N2 Na O0.5 Si -","- C352 H608 N64 Na32 O16 Si32 -","32","4","","Cole, Marcus L.; Junk, Peter C.","Synthesis and structure of the first non ?ate? heteroleptic lanthanoid complexes bearing monoanionic 2-amidopyridine ligands","New Journal of Chemistry","2003","27","7","1032","","10.1039/b304197b","","","0.71073","MoKα","","0.2984","0.0972","","","0.1909","0.2699","","","","","","0.939","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050615","16.194","0.003","17.076","0.003","20.335","0.004","90","","90","","90","","5623.2","1.8","173","2","173","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","[{Nd(AMPTMS)2(Cl)(THF)}2]","","","- C22 H38 Cl N4 Nd O Si2 -","- C22 H38 Cl N4 Nd O Si2 -","- C176 H304 Cl8 N32 Nd8 O8 Si16 -","8","1","","Cole, Marcus L.; Junk, Peter C.","Synthesis and structure of the first non ?ate? heteroleptic lanthanoid complexes bearing monoanionic 2-amidopyridine ligands","New Journal of Chemistry","2003","27","7","1032","","10.1039/b304197b","","","0.71073","MoKα","","0.0456","0.0271","","","0.0581","0.063","","","","","","1.031","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050616","17.207","0.002","17.207","0.002","50.082","0.01","90","","90","","120","","12842","3","123","2","123","2","","","","","","","","5","R -3 :H","-R 3","148","[TbCp*2(AMPTMS)]","","","- C29 H45 N2 Si Tb -","- C29 H45 N2 Si Tb -","- C522 H810 N36 Si18 Tb18 -","18","1","","Cole, Marcus L.; Junk, Peter C.","Synthesis and structure of the first non ?ate? heteroleptic lanthanoid complexes bearing monoanionic 2-amidopyridine ligands","New Journal of Chemistry","2003","27","7","1032","","10.1039/b304197b","","","0.71073","MoKα","","0.0359","0.0258","","","0.0564","0.0592","","","","","","1.056","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050617","18.18","0.004","12.346","0.003","10.68","0.002","90","","108.95","0.03","90","","2267.2","0.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Bis-4-hydroxy-acridinate-ethylenediaminenickel(II)","","- C28 H24 N4 Ni O2 -","- C28 H24 N4 Ni O2 -","- C112 H96 N16 Ni4 O8 -","4","0.5","","Crispini, Alessandra; Pucci, Daniela; Sessa, Stefania; Cataldi, Antonella; Napoli, Anna; Valentini, Alessandra; Ghedini, Mauro","Synthesis and characterization of new transition metal complexes containing DNA intercalators of the acridine family","New Journal of Chemistry","2003","27","10","1497","","10.1039/b304288j","","","0.71073","MoKα","","0.0514","0.0386","","","0.0977","0.1033","","","","","","0.945","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050618","13.2633","0.0006","23.0476","0.0013","22.9725","0.0006","90","","91.39","0.014","90","","7020.3","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H75 Lu N6 O8 P2 -","- C78 H75 Lu N6 O8 P2 -","- C312 H300 Lu4 N24 O32 P8 -","4","1","","Xin, Hao; Shi, Mei; Li, Fu You; Guan, Min; Gao, De Qing; Huang, Chun Hui; Ibrahim, Kurash; Liu, Feng Qin","Photoluminescence and electroluminescence properties of three ternary lutetium complexes","New Journal of Chemistry","2003","27","10","1485","","10.1039/b304451c","","","0.71073","MoKα","","0.1125","0.0698","","","0.0778","0.0859","","","","","","0.943","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050619","12.1329","0.0009","10.4929","0.0009","15.2841","0.0017","90","","98.315","0.008","90","","1925.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 Cu2 O11 -","- C18 H18 Cu2 O11 -","- C72 H72 Cu8 O44 -","4","1","","Jorge Pasán; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve","{[Cu(H2O)3][Cu(phmal)2]}n: a new two-dimensional copper(II) complex with intralayer ferromagnetic interactions (phmal=phenylmalonate dianion)","New J. Chem.","2003","27","11","1557","1562","10.1039/b304471h","","","0.71073","MoKα","","0.0732","0.0414","","","0.0831","0.0932","","","","","","1.003","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050620","19.5646","0.0009","16.3302","0.0008","31.1144","0.0016","90","","107.548","0.001","90","","9478.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H138 B4 N16 O9 -","- C96 H134 B4 N16 O9 -","- C384 H536 B16 N64 O36 -","4","1","","Irving, Alison M.; Vogels, Christopher M.; Nikolcheva, Liliya G.; Edwards, Janet P.; He, Xiao-Feng; Hamilton, Michael G.; Baerlocher, Mark O.; Baerlocher, Felix J.; Decken, Andreas; Westcott, Stephen A.","Synthesis and antifungal and antibacterial bioactivity of cyclic diamines containing boronate esters","New Journal of Chemistry","2003","27","10","1419","","10.1039/b304500e","","","0.71073","MoKα","","0.117","0.0566","","","0.1563","0.1817","","","","","","1.052","","","","has coordinates,has disorder","180060","2020-10-21","18:00:00",""
"7050621","12.5263","0.0006","12.5263","0.0006","21.7284","0.0016","90","","90","","90","","3409.4","0.3","173","2","173","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C17 H27 B N2 O2 -","- C17 H27 B N2 O2 -","- C136 H216 B8 N16 O16 -","8","1","","Irving, Alison M.; Vogels, Christopher M.; Nikolcheva, Liliya G.; Edwards, Janet P.; He, Xiao-Feng; Hamilton, Michael G.; Baerlocher, Mark O.; Baerlocher, Felix J.; Decken, Andreas; Westcott, Stephen A.","Synthesis and antifungal and antibacterial bioactivity of cyclic diamines containing boronate esters","New Journal of Chemistry","2003","27","10","1419","","10.1039/b304500e","","","0.71073","MoKα","","0.0648","0.0463","","","0.1166","0.1266","","","","","","0.993","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050622","9.5447","0.0012","10.5484","0.0013","10.9073","0.0013","95.987","0.002","92.32","0.002","91.666","0.002","1090.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H33 B N2 O3 -","- C23 H33 B N2 O3 -","- C46 H66 B2 N4 O6 -","2","1","","Irving, Alison M.; Vogels, Christopher M.; Nikolcheva, Liliya G.; Edwards, Janet P.; He, Xiao-Feng; Hamilton, Michael G.; Baerlocher, Mark O.; Baerlocher, Felix J.; Decken, Andreas; Westcott, Stephen A.","Synthesis and antifungal and antibacterial bioactivity of cyclic diamines containing boronate esters","New Journal of Chemistry","2003","27","10","1419","","10.1039/b304500e","","","0.71073","MoKα","","0.0422","0.0391","","","0.1099","0.1126","","","","","","1.089","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050623","10.025","0.0016","10.914","0.0017","17.365","0.003","106.609","0.002","105.779","0.002","93.244","0.002","1733.4","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H54 B2 N4 O5 -","- C34 H54 B2 N4 O5 -","- C68 H108 B4 N8 O10 -","2","1","","Irving, Alison M.; Vogels, Christopher M.; Nikolcheva, Liliya G.; Edwards, Janet P.; He, Xiao-Feng; Hamilton, Michael G.; Baerlocher, Mark O.; Baerlocher, Felix J.; Decken, Andreas; Westcott, Stephen A.","Synthesis and antifungal and antibacterial bioactivity of cyclic diamines containing boronate esters","New Journal of Chemistry","2003","27","10","1419","","10.1039/b304500e","","","0.71073","MoKα","","0.0822","0.0557","","","0.132","0.1399","","","","","","0.919","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050624","7.6819","0.001","8.8715","0.0011","10.3205","0.0011","105.852","0.006","93.055","0.007","105.705","0.003","645.16","0.14","200","","200","","","","","","","","","4","P -1","-P 1","2","","[Cd3(BTC)3)2(H2O)6]-3(H2O)","","- C18 H24 Cd3 O21 -","- C18 H22 Cd3 O20.412 -","- C18 H22 Cd3 O20.412 -","1","0.5","","Fan, Jian; Zhu, Hui-Fang; Okamura, Taka-aki; Sun, Wei-Yin; Tang, Wen-Xia; Ueyama, Norikazu","Three-dimensional photoluminescent pillared metal-organic framework with 4.82 topological channels obtained from the assembly of cadmium(ii) acetate and trimellitic salt","New Journal of Chemistry","2003","27","10","1409","","10.1039/b304826h","","","0.71069","MoKα","","0.0267","0.0243","","","0.0622","0.063","","","","","","1.126","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050625","11.899","0.006","21.435","0.008","16.727","0.007","90","","108.64","0.04","90","","4043","3","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H36 B Cu4 F9 N18 O2 -","- C26 H36 B Cu4 F9 N18 O2 -","- C104 H144 B4 Cu16 F36 N72 O8 -","4","0.5","","van Albada, Gerard A.; Roubeau, Olivier; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan","A unique methoxo- and fluoro-bridged triangular trinuclear Cu(ii) species linked in a lattice via mononuclear Cu(ii) units. Synthesis, X-ray structure and magnetism of [Cu4(2-aminopyrimidine)6(�3-OCH3)2(�-F)3(F)2](BF4)Electronic supplementary information (ESI) available: fitting of the magnetic coupling according to Scheme 2(a). See http://www.rsc.org/suppdata/nj/b3/b304979e/","New Journal of Chemistry","2003","27","12","1693","","10.1039/b304979e","","","0.71073","MoKα","","0.1752","0.0735","","","0.1402","0.1711","","","","","","0.902","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050626","18.8912","0.0006","19.2995","0.0006","20.7963","0.0007","90","","90","","90","","7582.1","0.4","113","","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H63 Cl N2 P2 Ru -","- C35 H63 Cl N2 P2 Ru -","- C280 H504 Cl8 N16 P16 Ru8 -","8","1","","Ho, Victoria M.; Watson, Lori A.; Huffman, John C.; Caulton, Kenneth G.","Double C(sp3) dehydrogenation as a route to coordinated Arduengo carbenes: experiment and computation on comparative ?-acidityElectronic supplementary information (ESI) available: crystallographic data. See http://www.rsc.org/suppdata/nj/b3/b305249d/","New Journal of Chemistry","2003","27","10","1446","","10.1039/b305249d","","","0.71073","MoKα","","","0.0296","","","","0.0286","","","","","","0.6433","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050627","13.7979","0.0018","7.3558","0.0009","15.251","0.002","90","","108.775","0.003","90","","1465.5","0.3","112","2","112","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C11 H13 F6 Fe O3 P -","- C11 H13 F6 Fe O3 P -","- C44 H52 F24 Fe4 O12 P4 -","4","0.5","","Watson, Lori A.; Franzman, Bethany; Bollinger, John C.; Caulton, Kenneth G.","?-Donor olefin substituents alter olefin binding to CpFe(CO)2+Electronic supplementary information available: selected bond lengths and angles in CpFe(CO)2(H2C?CHNMe2)+ and CpFe(CO)2(H2C?CHOEt)+; calculated orbital occupancies and natural charges in the iron-olefin complex and the free olefin. See http://www.rsc.org/suppdata/nj/b3/b305252d/","New Journal of Chemistry","2003","27","12","1769","","10.1039/b305252d","","","0.71073","MoKα","","0.0743","0.0609","","","0.1646","0.1714","","","","","","1.691","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7050628","7.3364","0.0017","25.006","0.006","8.175","0.0018","90","","100.73","0.006","90","","1473.5","0.6","113","2","113","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 F6 Fe N O2 P -","- C11 H14 F6 Fe N O2 P -","- C44 H56 F24 Fe4 N4 O8 P4 -","4","1","","Watson, Lori A.; Franzman, Bethany; Bollinger, John C.; Caulton, Kenneth G.","?-Donor olefin substituents alter olefin binding to CpFe(CO)2+Electronic supplementary information available: selected bond lengths and angles in CpFe(CO)2(H2C?CHNMe2)+ and CpFe(CO)2(H2C?CHOEt)+; calculated orbital occupancies and natural charges in the iron-olefin complex and the free olefin. See http://www.rsc.org/suppdata/nj/b3/b305252d/","New Journal of Chemistry","2003","27","12","1769","","10.1039/b305252d","","","0.71073","MoKα","","0.04","0.0318","","","0.0845","0.0872","","","","","","1.447","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050629","15.2502","0.0003","10.452","0.0004","10.5579","0.0003","90","","127.508","0.0016","90","","1334.96","0.07","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 Br2 F4 N2 -","- C8 H14 Br2 F4 N2 -","- C32 H56 Br8 F16 N8 -","4","0.5","","Chu, Qianli; Wang, Zheming; Huang, Qichen; Yan, Chunhua; Zhu, Shizheng","Fluorine-containing donor-acceptor complexes: crystallographic study of the interactions between electronegative atoms (N, O, S) and halogen atoms (I, Br)","New Journal of Chemistry","2003","27","10","1522","","10.1039/b305312c","","","0.71073","MoKα","","0.0593","0.0374","","","0.0734","0.0815","","","","","","1.03","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050630","15.8483","0.0003","10.4899","0.0003","10.7354","0.0003","90","","128.488","0.0013","90","","1396.98","0.07","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H14 F4 I2 N2 -","- C8 H14 F4 I2 N2 -","- C32 H56 F16 I8 N8 -","4","0.5","","Chu, Qianli; Wang, Zheming; Huang, Qichen; Yan, Chunhua; Zhu, Shizheng","Fluorine-containing donor-acceptor complexes: crystallographic study of the interactions between electronegative atoms (N, O, S) and halogen atoms (I, Br)","New Journal of Chemistry","2003","27","10","1522","","10.1039/b305312c","","","0.71073","MoKα","","0.0508","0.0343","","","0.082","0.0887","","","","","","1.036","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050631","6.8922","0.0002","6.8945","0.0003","14.5254","0.0007","77.793","0.003","81.707","0.003","77.341","0.003","654.74","0.05","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C7 H11 F4 I2 N O -","- C7 H11 F4 I2 N O -","- C14 H22 F8 I4 N2 O2 -","2","1","","Chu, Qianli; Wang, Zheming; Huang, Qichen; Yan, Chunhua; Zhu, Shizheng","Fluorine-containing donor-acceptor complexes: crystallographic study of the interactions between electronegative atoms (N, O, S) and halogen atoms (I, Br)","New Journal of Chemistry","2003","27","10","1522","","10.1039/b305312c","","","0.71073","MoKα","","0.0414","0.034","","","0.0849","0.0896","","","","","","1.038","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050632","7.028","0.0014","16.461","0.003","14.947","0.003","90","","101.89","0.03","90","","1692.1","0.6","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 F4 I2 N3 O P -","- C8 F4 I2 N3 O P -","- C32 F16 I8 N12 O4 P4 -","4","1","","Chu, Qianli; Wang, Zheming; Huang, Qichen; Yan, Chunhua; Zhu, Shizheng","Fluorine-containing donor-acceptor complexes: crystallographic study of the interactions between electronegative atoms (N, O, S) and halogen atoms (I, Br)","New Journal of Chemistry","2003","27","10","1522","","10.1039/b305312c","","","0.71073","MoKα","","0.0676","0.0584","","","0.1818","0.1886","","","","","","1.083","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050633","6.916","0.0005","7.7021","0.0005","10.6364","0.0007","80.528","0.004","78.781","0.004","85.991","0.004","547.75","0.07","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 F4 I2 N2 S2 -","- C18 H14 F4 I2 N2 S2 -","- C18 H14 F4 I2 N2 S2 -","1","0.5","","Chu, Qianli; Wang, Zheming; Huang, Qichen; Yan, Chunhua; Zhu, Shizheng","Fluorine-containing donor-acceptor complexes: crystallographic study of the interactions between electronegative atoms (N, O, S) and halogen atoms (I, Br)","New Journal of Chemistry","2003","27","10","1522","","10.1039/b305312c","","","0.71073","MoKα","","0.0444","0.0348","","","0.0777","0.0819","","","","","","1.03","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050634","6.2536","0.0005","6.4403","0.0007","7.5067","0.0007","106.843","0.005","107.535","0.006","93.925","0.006","271.87","0.05","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C6 H4 F4 I2 N2 -","- C6 H4 F4 I2 N2 -","- C6 H4 F4 I2 N2 -","1","0.5","","Chu, Qianli; Wang, Zheming; Huang, Qichen; Yan, Chunhua; Zhu, Shizheng","Fluorine-containing donor-acceptor complexes: crystallographic study of the interactions between electronegative atoms (N, O, S) and halogen atoms (I, Br)","New Journal of Chemistry","2003","27","10","1522","","10.1039/b305312c","","","0.71073","MoKα","","0.0332","0.032","","","0.0848","0.0856","","","","","","1.14","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050635","6.9365","0.0005","11.5354","0.001","8.1604","0.0004","90","","110.487","0.004","90","","611.66","0.08","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 F4 I2 N2 -","- C7 H6 F4 I2 N2 -","- C14 H12 F8 I4 N4 -","2","0.5","","Chu, Qianli; Wang, Zheming; Huang, Qichen; Yan, Chunhua; Zhu, Shizheng","Fluorine-containing donor-acceptor complexes: crystallographic study of the interactions between electronegative atoms (N, O, S) and halogen atoms (I, Br)","New Journal of Chemistry","2003","27","10","1522","","10.1039/b305312c","","","0.71073","MoKα","","0.059","0.0459","","","0.108","0.1167","","","","","","1.062","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050636","13.302","0.004","14.54","0.002","22.451","0.008","90","","90","","90","","4342","2","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","H4DAPS","H4DAPS","","- C23 H21 N5 O4 -","- C23 H21 N5 O4 -","- C184 H168 N40 O32 -","8","1","","Manuel R. Bermejo; Rosa Pedrido; Ana M. González-Noya; María J. Romero; Miguel Vázquez; Lorenzo Sorace","Conformational rearrangement of 2,6-bis(1-salicyloylhydrazonoethyl)pyridine (H4daps) on complexation. Synthesis and X-ray characterisation of H4daps and its copper helicate complex [Cu(H2daps)(H2O)]2·2CH3CN","New J. Chem.","2003","27","12","1753","1759","10.1039/b305354g","","","1.5418","CuKα","","0.2753","0.065","","","0.112","0.1604","","","","","","0.873","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050637","23.936","0.004","14.65","0.002","18.069","0.003","90","0.003","129.566","0.003","90","0.003","4884.5","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Cudaps","Cudaps","","- C50 H48 Cu2 N12 O10 -","- C50 H48 Cu2 N12 O10 -","- C200 H192 Cu8 N48 O40 -","4","0.5","","Manuel R. Bermejo; Rosa Pedrido; Ana M. González-Noya; María J. Romero; Miguel Vázquez; Lorenzo Sorace","Conformational rearrangement of 2,6-bis(1-salicyloylhydrazonoethyl)pyridine (H4daps) on complexation. Synthesis and X-ray characterisation of H4daps and its copper helicate complex [Cu(H2daps)(H2O)]2·2CH3CN","New J. Chem.","2003","27","12","1753","1759","10.1039/b305354g","","","0.71073","MoKα","","0.1432","0.0674","","","0.1605","0.1943","","","","","","1.019","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050638","25.598","0.005","9.467","0.0019","17.439","0.004","90","","125.82","0.03","90","","3426.8","1.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H42 O8 P2 W2 -","- C30 H42 O8 P2 W2 -","- C120 H168 O32 P8 W8 -","4","0.5","","Brym, Markus; Jones, Cameron; Waugh, Mark; Hey-Hawkins, Evamarie; Majoumo, Felecite","Reactions of phosphavinyl Grignard reagents with aldehydes: synthesis, characterisation and further reactivity of ?-phosphaallylic alcohols","New Journal of Chemistry","2003","27","11","1614","","10.1039/b306607j","","","0.71073","MoKα","","0.062","0.0393","","","0.0801","0.0882","","","","","","1.029","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050639","12.988","0.003","14.268","0.003","18.557","0.004","90","","97.76","0.03","90","","3407.4","1.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H27 O P -","- C18 H27 O P -","- C144 H216 O8 P8 -","8","2","","Brym, Markus; Jones, Cameron; Waugh, Mark; Hey-Hawkins, Evamarie; Majoumo, Felecite","Reactions of phosphavinyl Grignard reagents with aldehydes: synthesis, characterisation and further reactivity of ?-phosphaallylic alcohols","New Journal of Chemistry","2003","27","11","1614","","10.1039/b306607j","","","0.71073","MoKα","","0.0915","0.0538","","","0.1003","0.1134","","","","","","1.03","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050640","14.908","0.003","10.424","0.002","20.972","0.004","90","","97.64","0.03","90","","3230.1","1.1","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H52 O P2 -","- C36 H52 O P2 -","- C144 H208 O4 P8 -","4","1","","Brym, Markus; Jones, Cameron; Waugh, Mark; Hey-Hawkins, Evamarie; Majoumo, Felecite","Reactions of phosphavinyl Grignard reagents with aldehydes: synthesis, characterisation and further reactivity of ?-phosphaallylic alcohols","New Journal of Chemistry","2003","27","11","1614","","10.1039/b306607j","","","0.71073","MoKα","","0.0845","0.0531","","","0.0977","0.1085","","","","","","1.035","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050641","11.235","0.002","14.236","0.003","21.449","0.004","90","","103.64","0.03","90","","3333.8","1.2","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 O P2 -","- C36 H52 O P2 -","- C144 H208 O4 P8 -","4","1","","Brym, Markus; Jones, Cameron; Waugh, Mark; Hey-Hawkins, Evamarie; Majoumo, Felecite","Reactions of phosphavinyl Grignard reagents with aldehydes: synthesis, characterisation and further reactivity of ?-phosphaallylic alcohols","New Journal of Chemistry","2003","27","11","1614","","10.1039/b306607j","","","0.71073","MoKα","","0.1067","0.0751","","","0.1751","0.19","","","","","","1.091","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050642","10.787","0.002","11.073","0.002","15.414","0.003","80.23","0.03","69.52","0.03","79.05","0.03","1682.6","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H52 O P2 -","- C36 H52 O P2 -","- C72 H104 O2 P4 -","2","1","","Brym, Markus; Jones, Cameron; Waugh, Mark; Hey-Hawkins, Evamarie; Majoumo, Felecite","Reactions of phosphavinyl Grignard reagents with aldehydes: synthesis, characterisation and further reactivity of ?-phosphaallylic alcohols","New Journal of Chemistry","2003","27","11","1614","","10.1039/b306607j","","","0.71073","MoKα","","0.1289","0.0916","","","0.2455","0.2767","","","","","","1.033","","","","has coordinates","301851","2025-08-21","20:32:33",""
"7050643","6.349","0.0013","14.028","0.003","19.12","0.004","90","","95.05","0.03","90","","1696.3","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 O P -","- C18 H27 O P -","- C72 H108 O4 P4 -","4","1","","Brym, Markus; Jones, Cameron; Waugh, Mark; Hey-Hawkins, Evamarie; Majoumo, Felecite","Reactions of phosphavinyl Grignard reagents with aldehydes: synthesis, characterisation and further reactivity of ?-phosphaallylic alcohols","New Journal of Chemistry","2003","27","11","1614","","10.1039/b306607j","","","0.71073","MoKα","","0.0569","0.0408","","","0.0945","0.1024","","","","","","1.032","","","","has coordinates","301851","2025-08-21","20:32:34",""
"7050644","6.083","0.0012","19.234","0.004","14.925","0.003","90","","100.12","0.03","90","","1719.1","0.6","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H29 O2 P -","- C18 H29 O2 P -","- C72 H116 O8 P4 -","4","1","","Brym, Markus; Jones, Cameron; Waugh, Mark; Hey-Hawkins, Evamarie; Majoumo, Felecite","Reactions of phosphavinyl Grignard reagents with aldehydes: synthesis, characterisation and further reactivity of ?-phosphaallylic alcohols","New Journal of Chemistry","2003","27","11","1614","","10.1039/b306607j","","","0.71073","MoKα","","0.085","0.0556","","","0.1083","0.1195","","","","","","1.066","","","","has coordinates","301851","2025-08-21","20:32:34",""
"7050645","8.7477","0.0009","16.5928","0.0017","8.3841","0.0009","90","","96.281","0.002","90","","1209.6","0.2","446","2","100","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C24 H19 B N9 Tl -","- C24 H19 B N9 Tl -","- C48 H38 B2 N18 Tl2 -","2","1","","Davies, Graham M.; Jeffery, John C.; Ward, Michael D.","Chiral coordination polymers based on thallium(i) complexes of new bis- and tris(pyrazolyl)borate ligands with externally-directed 4-pyridyl groups","New Journal of Chemistry","2003","27","11","1550","","10.1039/b306659b","","","0.71073","MoKα","","0.0503","0.0337","","","0.0622","0.0838","","","","","","0.764","","","","has coordinates","301851","2025-08-21","20:32:34",""
"7050646","10.454","0.002","6.374","0.0013","12.338","0.003","90","","98.96","0.03","90","","812.1","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H14 B N6 Tl -","- C16 H14 B N6 Tl -","- C32 H28 B2 N12 Tl2 -","2","1","","Davies, Graham M.; Jeffery, John C.; Ward, Michael D.","Chiral coordination polymers based on thallium(i) complexes of new bis- and tris(pyrazolyl)borate ligands with externally-directed 4-pyridyl groups","New Journal of Chemistry","2003","27","11","1550","","10.1039/b306659b","","","0.71073","MoKα","","0.0407","0.037","","","0.0773","0.0785","","","","","","0.999","","","","has coordinates","301851","2025-08-21","20:32:34",""
"7050647","7.3159","0.001","14.339","0.0017","18.052","0.002","90","","91.067","0.007","90","","1893.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H13 Mn2 N8 O7 W -","- C8 Mn2 N8 O7 W -","- C32 Mn8 N32 O28 W4 -","4","1","","Dong, Wen; Sun, Ya-Qiu; Zhu, Li-Na; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping; Cheng, Peng","Two different three-dimensional microporous framework structures in [Mn2(H2O)4{W(CN)8}�4H2O]n and [Mn2(H2O)4{W(CN)8} (OH)�2H2O]n","New Journal of Chemistry","2003","27","12","1760","","10.1039/b306755f","","","0.71073","MoKα","","0.082","0.0462","","","0.0995","0.1119","","","","","","1.008","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050648","11.915","0.004","11.915","0.004","13.252","0.009","90","","90","","90","","1881.3","1.6","293","2","293","2","","","","","","","","6","I 4/m","-I 4","87","","","","- C8 H16 Mn2 N8 O8 W -","- C8 H16 Mn2 N8 O8 W -","- C32 H64 Mn8 N32 O32 W4 -","4","0.25","","Dong, Wen; Sun, Ya-Qiu; Zhu, Li-Na; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping; Cheng, Peng","Two different three-dimensional microporous framework structures in [Mn2(H2O)4{W(CN)8}�4H2O]n and [Mn2(H2O)4{W(CN)8} (OH)�2H2O]n","New Journal of Chemistry","2003","27","12","1760","","10.1039/b306755f","","","0.71073","MoKα","","0.0326","0.0236","","","0.0487","0.0509","","","","","","1.071","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050649","9.506","0.004","9.904","0.003","20.616","0.006","95.45","0.04","98.14","0.04","118.46","0.03","1659.5","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H51 Cl N6 O14 -","- C24 H35 Cl N6 O14 -","- C48 H70 Cl2 N12 O28 -","2","1","","Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Guerri, Annalisa; Lucarini, Simone; Micheloni, Mauro; Paoli, Paola; Pontellini, Roberto; Rossi, Patrizia; Tarzia, Giorgio; Zappia, Giovanni","New ligand bearing preorganized binding side-arms interacting with ammonium cations: Synthesis, conformational studies and crystal structureElectronic supplementary information (ESI) available: molecular modeling studies. See http://www.rsc.org/suppdata/nj/b3/b306778e/","New Journal of Chemistry","2003","27","11","1575","","10.1039/b306778e","","","1.5418","CuKα","","0.0782","0.0691","","","0.1972","0.209","","","","","","1.045","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050650","11.0993","0.0008","13.0681","0.001","19.3948","0.0014","84.735","0.001","76.483","0.001","64.9","0.001","2476.9","0.3","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","[Au(dppeS-P)Cl]2","","- C52 H48 Au2 Cl2 P4 S2 -","- C52 H48 Au2 Cl2 P4 S2 -","- C104 H96 Au4 Cl4 P8 S4 -","2","1","","Aucott, Stephen M.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Woollins, J. Derek","N-Metallation of MS2N2 rings. X-ray crystal structures of [(?5-C5Me5)Ir(S2N2)Au(PPh3)][ClO4], [{(?5-C5Me5)Ir(S2N2)Au}2(�2-dppm)][ClO4]2 and [Au(dppeS-P)Cl]2","New Journal of Chemistry","2003","27","10","1466","","10.1039/b306847a","","","0.71073","MoKα","","0.0598","0.0364","","","0.0713","0.0756","","","","","","0.9","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050651","13.0057","0.0017","11.2301","0.0015","21.098","0.003","90","","98.213","0.002","90","","3049.9","0.7","125","2","125","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","[(h5-C5Me5)Ir(S2N2)Au(PPh3)][ClO4]","","- C28 H30 Au Cl Ir N2 O4 P S2 -","- C28 H30 Au Cl Ir N2 O4 P S2 -","- C112 H120 Au4 Cl4 Ir4 N8 O16 P4 S8 -","4","1","","Aucott, Stephen M.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Woollins, J. Derek","N-Metallation of MS2N2 rings. X-ray crystal structures of [(?5-C5Me5)Ir(S2N2)Au(PPh3)][ClO4], [{(?5-C5Me5)Ir(S2N2)Au}2(�2-dppm)][ClO4]2 and [Au(dppeS-P)Cl]2","New Journal of Chemistry","2003","27","10","1466","","10.1039/b306847a","","","0.71073","MoKα","","0.0324","0.0233","","","0.0464","0.0479","","","","","","0.955","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050652","32.363","0.008","10.367","0.003","16.838","0.004","90","","90","","90","","5649","3","125","2","125","2","","","","","","","","9","P c a 21","P 2c -2ac","29","","","","- C46 H55 Au2 Cl4 Ir2 N4 O8 P2 S4 -","- C46 H55 Au2 Cl4 Ir2 N4 O8 P2 S4 -","- C184 H220 Au8 Cl16 Ir8 N16 O32 P8 S16 -","4","1","","Aucott, Stephen M.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Woollins, J. Derek","N-Metallation of MS2N2 rings. X-ray crystal structures of [(?5-C5Me5)Ir(S2N2)Au(PPh3)][ClO4], [{(?5-C5Me5)Ir(S2N2)Au}2(�2-dppm)][ClO4]2 and [Au(dppeS-P)Cl]2","New Journal of Chemistry","2003","27","10","1466","","10.1039/b306847a","","","0.71073","MoKα","","0.0282","0.0263","","","0.0637","0.0644","","","","","","0.958","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050653","14.6124","0.0017","12.5497","0.0014","24.402","0.003","90","","96.373","0.002","90","","4447.2","0.9","125","2","125","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","[{(h5-C5H5)Co(S2N2)Au}2(m2-dppm)][ClO4]2","","- C35 H32 Au2 Cl2 Co2 N4 O8 P2 S4 -","- C35 H32 Au2 Cl2 Co2 N4 O8 P2 S4 -","- C140 H128 Au8 Cl8 Co8 N16 O32 P8 S16 -","4","1","","Aucott, Stephen M.; Bhattacharyya, Pravat; Milton, Heather L.; Slawin, Alexandra M. Z.; Woollins, J. Derek","N-Metallation of MS2N2 rings. X-ray crystal structures of [(?5-C5Me5)Ir(S2N2)Au(PPh3)][ClO4], [{(?5-C5Me5)Ir(S2N2)Au}2(�2-dppm)][ClO4]2 and [Au(dppeS-P)Cl]2","New Journal of Chemistry","2003","27","10","1466","","10.1039/b306847a","","","0.71073","MoKα","","0.0916","0.0448","","","0.0942","0.1135","","","","","","1.004","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050654","8.791","0.008","10.577","0.006","8.663","0.006","90","","95.63","0.01","90","","801.6","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H5 Fe N O5 -","- C7 H5 Fe N O5 -","- C28 H20 Fe4 N4 O20 -","4","1","","Zeng, Ming-Hua; Gao, Song; Yu, Xiao-Lan; Chen, Xiao-Ming","Crystal structure and magnetic properties of a new three-dimensional coordination polymer constructed from (4,4) layers based on dimeric iron(ii) subunits","New Journal of Chemistry","2003","27","11","1599","","10.1039/b306872b","","","0.71073","MoKα","","0.0944","0.0635","","","0.1636","0.1839","","","","","","1.063","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050655","8.5468","0.0008","11.7744","0.0011","23.277","0.002","90","","96.143","0.002","90","","2329","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N9 O7 Pb -","- C18 H19 N9 O7 Pb -","- C72 H76 N36 O28 Pb4 -","4","1","","Fan, Jian; Shu, Mou-Hai; Okamura, Taka-aki; Li, Yi-Zhi; Sun, Wei-Yin; Tang, Wen-Xia; Ueyama, Norikazu","Solvent effect on the structure and topology of metal-organic frameworks with the rigid tripodal star ligand 1,3,5-tris(1-imidazolyl)benzene and lead(ii) nitrateElectronic supplementary information (ESI) available: crystal packing diagram of 1. See http://www.rsc.org/suppdata/nj/b3/b306876p/","New Journal of Chemistry","2003","27","9","1307","","10.1039/b306876p","","","0.71073","MoKα","","0.0625","0.0536","","","0.1486","0.16","","","","","","0.882","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050656","8.6278","0.0006","9.587","0.0007","11.5759","0.0008","84.345","0.004","84.226","0.005","75.04","0.004","917.72","0.11","200","","200","","","","","","","","","5","P -1","-P 1","2","(Pb(tib))(NO3)2","[Pb(tib)](NO3)2","","- C15 H12 N8 O6 Pb -","- C15 H12 N8 O6 Pb -","- C30 H24 N16 O12 Pb2 -","2","1","","Fan, Jian; Shu, Mou-Hai; Okamura, Taka-aki; Li, Yi-Zhi; Sun, Wei-Yin; Tang, Wen-Xia; Ueyama, Norikazu","Solvent effect on the structure and topology of metal-organic frameworks with the rigid tripodal star ligand 1,3,5-tris(1-imidazolyl)benzene and lead(ii) nitrateElectronic supplementary information (ESI) available: crystal packing diagram of 1. See http://www.rsc.org/suppdata/nj/b3/b306876p/","New Journal of Chemistry","2003","27","9","1307","","10.1039/b306876p","","","0.71069","MoKα","","0.0606","0.0538","","","0.134","0.1386","","","","","","1.087","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050657","10.0574","0.0008","13.4157","0.001","15.1345","0.0011","90","","91.235","0.002","90","","2041.6","0.3","200","0.2","200","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H15 Cl N2 -","- C7.996 H15 Cl N2 -","- C63.968 H120 Cl8 N16 -","8","1","","Reger, Daniel L.; Gardinier, James R.; Christian Grattan, T.; Smith, Monica R.; Smith, Mark D.","Synthesis of the silver(i) complex of CH2[CH(pz4Et)2]2 containing the unprecedented [Ag(NO3)4]3? anion: A general method for the preparation of 4-(alkyl)pyrazolesElectronic supplementary information (ESI) available: Crystal packing diagram of the unit cell of [Ag2{�-CH2[CH(pz4Et)2]2}2]3[Ag(NO3)4]2(acetonex/Et2Oy). See http://www.rsc.org/suppdata/nj/b3/b307306h/","New Journal of Chemistry","2003","27","11","1670","","10.1039/b307306h","","","0.71073","MoKα","","0.0597","0.0499","","","0.14","0.1466","","","","","","1.05","","","","has coordinates,has disorder","180060","2020-10-21","18:00:00",""
"7050658","12.2524","0.0007","21.8178","0.0013","27.0779","0.0016","68.573","0.001","80.934","0.001","87.349","0.001","6653.5","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C138 H192 Ag8 N56 O24 -","- C148.54 H172 Ag8 N56 O24 -","- C148.54 H172 Ag8 N56 O24 -","1","0.5","","Reger, Daniel L.; Gardinier, James R.; Christian Grattan, T.; Smith, Monica R.; Smith, Mark D.","Synthesis of the silver(i) complex of CH2[CH(pz4Et)2]2 containing the unprecedented [Ag(NO3)4]3? anion: A general method for the preparation of 4-(alkyl)pyrazolesElectronic supplementary information (ESI) available: Crystal packing diagram of the unit cell of [Ag2{�-CH2[CH(pz4Et)2]2}2]3[Ag(NO3)4]2(acetonex/Et2Oy). See http://www.rsc.org/suppdata/nj/b3/b307306h/","New Journal of Chemistry","2003","27","11","1670","","10.1039/b307306h","","","0.71073","MoKα","","0.1109","0.0727","","","0.2166","0.2481","","","","","","1.028","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050659","19.9396","0.0008","26.9479","0.0011","15.0854","0.0006","90","","90.967","0.001","90","","8104.7","0.6","150","0.2","150","0.2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H15 Cl N2 -","- C8.01 H15 Cl N2 -","- C256.32 H480 Cl32 N64 -","32","4","","Reger, Daniel L.; Gardinier, James R.; Christian Grattan, T.; Smith, Monica R.; Smith, Mark D.","Synthesis of the silver(i) complex of CH2[CH(pz4Et)2]2 containing the unprecedented [Ag(NO3)4]3? anion: A general method for the preparation of 4-(alkyl)pyrazolesElectronic supplementary information (ESI) available: Crystal packing diagram of the unit cell of [Ag2{�-CH2[CH(pz4Et)2]2}2]3[Ag(NO3)4]2(acetonex/Et2Oy). See http://www.rsc.org/suppdata/nj/b3/b307306h/","New Journal of Chemistry","2003","27","11","1670","","10.1039/b307306h","","","0.71073","MoKα","","0.076","0.0564","","","0.1438","0.1529","","","","","","0.99","","","","has coordinates,has disorder","180060","2020-10-21","18:00:00",""
"7050660","17.2047","0.0011","11.8608","0.0008","7.3253","0.0005","90","","90","","90","","1494.81","0.17","150","0.2","150","0.2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C9 H8 N2 -","- C9 H8 N2 -","- C72 H64 N16 -","8","1","","Reger, Daniel L.; Gardinier, James R.; Christian Grattan, T.; Smith, Monica R.; Smith, Mark D.","Synthesis of the silver(i) complex of CH2[CH(pz4Et)2]2 containing the unprecedented [Ag(NO3)4]3? anion: A general method for the preparation of 4-(alkyl)pyrazolesElectronic supplementary information (ESI) available: Crystal packing diagram of the unit cell of [Ag2{�-CH2[CH(pz4Et)2]2}2]3[Ag(NO3)4]2(acetonex/Et2Oy). See http://www.rsc.org/suppdata/nj/b3/b307306h/","New Journal of Chemistry","2003","27","11","1670","","10.1039/b307306h","","","0.71073","MoKα","","0.0427","0.0354","","","0.0824","0.086","","","","","","1.055","","","","has coordinates","180060","2020-10-21","18:00:00",""
"7050661","5.9762","0.0002","13.9047","0.0004","14.2152","0.0004","71.79","0.002","84.29","0.002","87.967","0.002","1116.51","0.06","200","2","200","2","","","","","","","","4","P -1","-P 1","2","1,3,5-tris(4-cyanobenzoyl)benzene)","1,3,5-tris(4-cyanobenzoyl)benzene)","","- C30 H15 N3 O3 -","- C30 H15 N3 O3 -","- C60 H30 N6 O6 -","2","1","","Senthil Kumar, V. S.; Christopher Pigge, F.; Rath, Nigam P.","Concomitant polymorphism and supramolecular isomerism in 1,3,5-tris(4-cyanobenzoyl)benzene","New Journal of Chemistry","2003","27","11","1554","","10.1039/b307492g","","","0.71073","MoKα","","0.0897","0.053","","","0.1201","0.1361","","","","","","1.037","","","","has coordinates","301851","2025-08-21","20:32:34",""
"7050662","7.7072","0.0002","11.3057","0.0002","13.7913","0.0003","73.284","0.001","88.422","0.001","83.42","0.001","1143.33","0.04","165","2","165","2","","","","","","","","4","P -1","-P 1","2","1,3,5-tris(4-cyanobenzoyl)benzene)","1,3,5-tris(4-cyanobenzoyl)benzene)","","- C30 H15 N3 O3 -","- C30 H15 N3 O3 -","- C60 H30 N6 O6 -","2","1","","Senthil Kumar, V. S.; Christopher Pigge, F.; Rath, Nigam P.","Concomitant polymorphism and supramolecular isomerism in 1,3,5-tris(4-cyanobenzoyl)benzene","New Journal of Chemistry","2003","27","11","1554","","10.1039/b307492g","","","0.71073","MoKα","","0.0977","0.0445","","","0.0898","0.1084","","","","","","1","","","","has coordinates","301851","2025-08-21","20:32:34",""
"7050663","15.169","0.002","8.461","0.0013","15.288","0.002","90","","94.228","0.003","90","","1956.8","0.5","567","2","567","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","4,6-bis(trimethylsilyl)dibenzothiophene","","","- C18 H24 S Si2 -","- C18 H24 S Si2 -","- C72 H96 S4 Si8 -","4","1","","Chantson, Janine T.; Lotz, Simon; Ichharam, Vimal","Synthesis and structure of 4,6-disubstituted dibenzothiophenes and their use in the preparation of binuclear platinum(ii) complexes","New Journal of Chemistry","2003","27","12","1735","","10.1039/b307634m","","","0.71073","MoKα","","0.0588","0.0394","","","0.1026","0.1152","","","","","","1.026","","","","has coordinates","301851","2025-08-21","20:32:34",""
"7050664","10.4977","0.0017","8.5629","0.0014","12.947","0.002","90","","106.813","0.003","90","","1114.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4,6-dibromo dibenzothiophene","4,6-dibromo dibenzothiophene","","- C12 H6 Br2 S -","- C12 H6 Br2 S -","- C48 H24 Br8 S4 -","4","1","","Chantson, Janine T.; Lotz, Simon; Ichharam, Vimal","Synthesis and structure of 4,6-disubstituted dibenzothiophenes and their use in the preparation of binuclear platinum(ii) complexes","New Journal of Chemistry","2003","27","12","1735","","10.1039/b307634m","","","0.71073","MoKα","","0.0754","0.049","","","0.1302","0.1449","","","","","","0.953","","","","has coordinates","301851","2025-08-21","20:32:34",""
"7050665","10.5135","0.0003","8.3306","0.0003","19.6638","0.0007","90","","90","","90","","1722.23","0.1","120","2","120","2","","","","","","","","5","C m c m","-C 2c 2","63","1,4,7,10-tetrathiacyclododecane-tetrabromotin(IV)","1,4,7,10-tetrathiacyclododecane-tetrabromotin(IV)","","- C8 H16 Br4 S4 Sn -","- C8 H16 Br4 S4 Sn -","- C32 H64 Br16 S16 Sn4 -","4","0.25","","Levason, William; Matthews, Melissa L.; Patel, Rina; Reid, Gillian; Webster, Michael","Unusual structural variations within a family of thioether macrocyclic complexes. Tin(iv) halide adducts of [12]-, [14]- and [16]-aneS4","New Journal of Chemistry","2003","27","12","1784","","10.1039/b307863a","","","0.71073","MoKα","","0.0447","0.0412","","","0.1046","0.1072","","","","","","1.062","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050666","11.2865","0.0003","11.5634","0.0003","13.3067","0.0004","104.865","0.001","103.475","0.001","92.859","0.001","1621.19","0.08","120","2","120","2","","","","","","","","6","P -1","-P 1","2","1,4,8,11-tetrathiacyclotetradecane-tetrabromotin(IV) dichloromethane solvate","1,4,8,11-tetrathiacyclotetradecane-tetrabromotin(IV) dichloromethane solvate","","- C10.67 H21.33 Br4 Cl1.33 S4 Sn -","- C10.6667 H21.3333 Br4 Cl1.33333 S4 Sn -","- C32 H64 Br12 Cl4 S12 Sn3 -","3","1.5","","Levason, William; Matthews, Melissa L.; Patel, Rina; Reid, Gillian; Webster, Michael","Unusual structural variations within a family of thioether macrocyclic complexes. Tin(iv) halide adducts of [12]-, [14]- and [16]-aneS4","New Journal of Chemistry","2003","27","12","1784","","10.1039/b307863a","","","0.71073","MoKα","","0.0635","0.0467","","","0.0997","0.1077","","","","","","1.034","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050667","19.4987","0.0007","10.0624","0.0003","10.9104","0.0003","90","","90","","90","","2140.66","0.12","120","2","120","2","","","","","","","","5","P c a 21","P 2c -2ac","29","1,5,9,13-tetrathiacyclohexadecane-tetrabromotin(IV)","1,5,9,13-tetrathiacyclohexadecane-tetrabromotin(IV)","","- C12 H24 Br4 S4 Sn -","- C12 H24 Br4 S4 Sn -","- C48 H96 Br16 S16 Sn4 -","4","1","","Levason, William; Matthews, Melissa L.; Patel, Rina; Reid, Gillian; Webster, Michael","Unusual structural variations within a family of thioether macrocyclic complexes. Tin(iv) halide adducts of [12]-, [14]- and [16]-aneS4","New Journal of Chemistry","2003","27","12","1784","","10.1039/b307863a","","","0.71073","MoKα","","0.0626","0.0535","","","0.1314","0.138","","","","","","1.039","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050668","9.7076","0.0003","12.642","0.0003","16.1419","0.0003","90","","98.468","0.002","90","","1959.39","0.09","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H30 Cl10 Cu2 N2 S4 -","- C26 H30 Cl10 Cu2 N2 S4 -","- C52 H60 Cl20 Cu4 N4 S8 -","2","0.5","","Sylvie Ferlay; Abdelaziz Jouaiti; Marielle Loï; Mir Wais Hosseini; André De Cian; Philippe Turek","Molecular tectonics: structural and magnetic properties of a discrete copper binuclear complex and a 1-D coordination network","New J. Chem.","2003","27","12","1801","1805","10.1039/b308944b","","","0.71073","Mo-Kα","","0.043","0.029","","0.066","","0.06","","","1.388","","","1.26","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050669","32.475","0.003","13.496","0.002","8.738","0.0005","90","","96.335","0.006","90","","3806.3","0.7","294","","294","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C24 H28 B2 Cl2 Cu2 F8 N2 S4 -","- C24 H28 B2 Cl2 Cu2 F8 N2 S4 -","- C96 H112 B8 Cl8 Cu8 F32 N8 S16 -","4","0.5","","Sylvie Ferlay; Abdelaziz Jouaiti; Marielle Loï; Mir Wais Hosseini; André De Cian; Philippe Turek","Molecular tectonics: structural and magnetic properties of a discrete copper binuclear complex and a 1-D coordination network","New J. Chem.","2003","27","12","1801","1805","10.1039/b308944b","","","0.71073","Mo-Kα","","0.117","0.056","","0.196","","0.094","","","1.218","","","1.084","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050670","10.5204","0.0002","11.2241","0.0002","14.0039","0.0003","109.398","0.005","91.023","0.005","103.73","0.005","1506.71","0.08","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H21 Cl5 Hg N2 O4 -","- C28 H21 Cl5 Hg N2 O4 -","- C56 H42 Cl10 Hg2 N4 O8 -","2","1","","Grosshans, Philippe; Jouaiti, Abdelaziz; Kardouh, Nasser; Wais Hosseini, Mir; Kyritsakas, Nathalie","Molecular tectonics: design of coordinating tectons based on fluorene bearing pyridines and structural analysis of their coordination networks generated in the presence of mercury and cobalt salts","New Journal of Chemistry","2003","27","12","1806","","10.1039/b308947a","","","0.71073","Mo-Kα","","0.052","0.036","","0.161","","0.045","","","1.093","","","1.059","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7050671","17.6763","0.0002","7.1511","0.0001","28.2492","0.0003","90","","91.544","0.005","90","","3569.54","0.08","173","","173","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C75 H55 Cl5 Co N4 O11 -","- C75 H48 Cl5 Co0.5 N4 O11 -","- C150 H96 Cl10 Co N8 O22 -","2","0.5","","Grosshans, Philippe; Jouaiti, Abdelaziz; Kardouh, Nasser; Wais Hosseini, Mir; Kyritsakas, Nathalie","Molecular tectonics: design of coordinating tectons based on fluorene bearing pyridines and structural analysis of their coordination networks generated in the presence of mercury and cobalt salts","New Journal of Chemistry","2003","27","12","1806","","10.1039/b308947a","","","0.71073","Mo-Kα","","0.116","0.078","","0.169","","0.105","","","1.372","","","1.284","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7052478","28.1286","0.0005","12.0327","0.0002","16.7257","0.0003","90","","91.701","0.001","90","","5658.54","0.17","120","2","120","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C28 H30 N4 O4 S2 Zn -","- C28 H30 N4 O4 S2 Zn -","- C224 H240 N32 O32 S16 Zn8 -","8","1","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.0331","0.0269","","","0.0665","0.071","","","","","","1.033","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7052479","9.9115","0.0007","17.0894","0.0011","7.2934","0.0006","90","","99.177","0.004","90","","1219.56","0.15","100","2","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cu N4 O4 S2 -","- C26 H26 Cu N4 O4 S2 -","- C52 H52 Cu2 N8 O8 S4 -","2","0.5","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.0342","0.0313","","","0.1152","0.1197","","","","","","1.026","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7052480","9.0349","0.0011","10.2869","0.0014","20.698","0.003","90","","91.706","0.005","90","","1922.8","0.4","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C14 H12 Cu F6 N4 O4 S2 -","- C14 Cu F6 N4 O4 S2 -","- C56 Cu4 F24 N16 O16 S8 -","4","2","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.1521","0.1409","","","0.3597","0.368","","","","","","1.197","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7052481","10.4495","0.0003","14.0233","0.0004","15.1965","0.0004","90","","106.221","0.001","90","","2138.19","0.1","105","2","105","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cu F6 N4 O4 S2 -","- C16 H16 Cu F6 N4 O4 S2 -","- C64 H64 Cu4 F24 N16 O16 S8 -","4","1","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.0468","0.0345","","","0.0817","0.0874","","","","","","1.041","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7052482","26.6725","0.0009","14.5387","0.0004","14.9797","0.0005","90","","102.051","0.001","90","","5680.9","0.3","110","2","110","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H31 Cu N4 O4.5 S2 -","- C28 H31 Cu N4 O4.5 S2 -","- C224 H248 Cu8 N32 O36 S16 -","8","2","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.1437","0.0732","","","0.1597","0.1856","","","","","","1.08","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7052483","7.3347","0.0003","17.0575","0.0006","9.822","0.0003","90","","99.139","0.001","90","","1213.25","0.08","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 N4 Ni O4 S2 -","- C26 H26 N4 Ni O4 S2 -","- C52 H52 N8 Ni2 O8 S4 -","2","0.5","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.0802","0.0699","","","0.2024","0.2108","","","","","","1.087","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7052484","10.4583","0.0014","16.052","0.002","29.546","0.004","90","","90","","90","","4960.1","1.1","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C18 H24 F6 N4 Ni O6 S2 -","- C18 H24 F6 N4 Ni O6 S2 -","- C144 H192 F48 N32 Ni8 O48 S16 -","8","1","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.074","0.0619","","","0.1589","0.1676","","","","","","1.066","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7052485","7.9362","0.0003","9.4498","0.0003","14.7162","0.0005","80.519","0.001","80.609","0.001","81.548","0.001","1065.77","0.06","105","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16 F6 N4 Ni O4 S2 -","- C16 H16 F6 N4 Ni O4 S2 -","- C32 H32 F12 N8 Ni2 O8 S4 -","2","1","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.0378","0.0336","","","0.0933","0.096","","","","","","1.039","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7052486","32.016","0.011","11.932","0.004","16.782","0.008","90","","118.86","0.02","90","","5615","4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 N4 Ni O4 S2 -","- C28 H30 N4 Ni O4 S2 -","- C224 H240 N32 Ni8 O32 S16 -","8","1","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.0639","0.0435","","","0.118","0.1288","","","","","","1.052","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7052487","29.967","0.006","7.9772","0.0015","26.183","0.005","90","","121.349","0.005","90","","5345.4","1.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H26.26 Co N4 O4.16 S2 -","- C26 H26 Co N4 O4.13 S2 -","- C208 H208 Co8 N32 O33.04 S16 -","8","1","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.0667","0.0373","","","0.09","0.1151","","","","","","1.109","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7052488","8.2696","0.0003","9.8013","0.0003","13.0497","0.0004","93.015","0.001","95.599","0.001","108.418","0.001","994.84","0.06","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H12 Co F6 N4 O4 S2 -","- C14 H12 Co F6 N4 O4 S2 -","- C28 H24 Co2 F12 N8 O8 S4 -","2","1","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.0448","0.0369","","","0.0947","0.0991","","","","","","1.05","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7052489","7.9999","0.0002","9.3718","0.0003","14.7362","0.0005","82.625","0.001","81.527","0.001","81.726","0.001","1074.89","0.06","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H16 Co F6 N4 O4 S2 -","- C16 H16 Co F6 N4 O4 S2 -","- C32 H32 Co2 F12 N8 O8 S4 -","2","1","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.0457","0.0359","","","0.0925","0.098","","","","","","1.031","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7052490","32.449","0.0009","12.0653","0.0004","16.738","0.0005","90","","119.721","0.001","90","","5691","0.3","110","2","110","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H30 Co N4 O4 S2 -","- C28 H30 Co N4 O4 S2 -","- C224 H240 Co8 N32 O32 S16 -","8","1","","Congreve, Aileen; Kataky, Ritu; Knell, Mark; Parker, David; Puschmann, Horst; Senanayake, Kanthi; Wylie, Lisa","Examination of cobalt, nickel, copper and zinc(ii) complex geometry and binding affinity in aqueous media using simple pyridylsulfonamide ligands","New Journal of Chemistry","2003","27","1","98","106","10.1039/b206279h","","","0.71073","MoKα","","0.0512","0.0382","","","0.1171","0.122","","","","","","1.106","","","","has coordinates","274641","2022-04-22","16:38:21",""
"7052494","7.1084","0.0006","7.4863","0.0006","11.923","0.001","99.788","0.004","107.055","0.003","98.477","0.004","584.51","0.09","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Br N2 O -","- C12 H11 Br N2 O -","- C24 H22 Br2 N4 O2 -","2","1","","George, Sumod; Nangia, Ashwini; Bagieu-Beucher, Muriel; Masse, René; Nicoud, Jean-François","Crystal engineering of two-dimensional polar layer structures: hydrogen bond networks in some N-meta-phenylpyrimidinones","New Journal of Chemistry","2003","27","3","568","","10.1039/b207090a","","","0.5608","AgKα","","0.0504","0.05","","0.058","","0.058","","","1.465","","","1.46","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052495","7.0475","0.001","7.438","0.003","20.763","0.004","90","","90","","90","","1088.4","0.5","296.2","","296.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H10 F N2 O -","- C12 H10 F N2 O -","- C48 H40 F4 N8 O4 -","4","0.5","","George, Sumod; Nangia, Ashwini; Bagieu-Beucher, Muriel; Masse, René; Nicoud, Jean-François","Crystal engineering of two-dimensional polar layer structures: hydrogen bond networks in some N-meta-phenylpyrimidinones","New Journal of Chemistry","2003","27","3","568","","10.1039/b207090a","","","0.7107","MoKα","","0.087","0.087","","0.071","","0.071","","","2.097","","","2.1","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052496","7.531","0.001","12.236","0.002","7.154","0.001","106.27","0.01","100.1","1","74.9","0.01","607.2","1.3","296.2","","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 I N2 O -","- C12 H11 I N2 O -","- C24 H22 I2 N4 O2 -","2","1","","George, Sumod; Nangia, Ashwini; Bagieu-Beucher, Muriel; Masse, René; Nicoud, Jean-François","Crystal engineering of two-dimensional polar layer structures: hydrogen bond networks in some N-meta-phenylpyrimidinones","New Journal of Chemistry","2003","27","3","568","","10.1039/b207090a","","","0.5608","AgKα","","0.0403","0.04","","0.054","","0.054","","","1.477","","","1.48","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052497","7.1729","0.0005","14.506","0.002","11.384","0.001","90","","106.972","0.006","90","","1132.9","0.2","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H14 N2 O -","- C13 H14 N2 O -","- C52 H56 N8 O4 -","4","1","","George, Sumod; Nangia, Ashwini; Bagieu-Beucher, Muriel; Masse, René; Nicoud, Jean-François","Crystal engineering of two-dimensional polar layer structures: hydrogen bond networks in some N-meta-phenylpyrimidinones","New Journal of Chemistry","2003","27","3","568","","10.1039/b207090a","","","0.5608","AgKα","","0.0698","0.07","","0.066","","0.066","","","2.008","","","2","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052498","7.126","0.006","7.635","0.001","11.337","0.002","102.33","0.01","103.28","0.05","96.74","0.05","577.4","0.5","296.2","","296.2","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C24 H22 N6 O6 -","2","1","","George, Sumod; Nangia, Ashwini; Bagieu-Beucher, Muriel; Masse, René; Nicoud, Jean-François","Crystal engineering of two-dimensional polar layer structures: hydrogen bond networks in some N-meta-phenylpyrimidinones","New Journal of Chemistry","2003","27","3","568","","10.1039/b207090a","","","0.7107","MoKα","","0.057","0.057","","0.056","","0.056","","","2.727","","","2.73","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052499","21.324","0.004","7.2771","0.0009","16.929","0.007","90","","111.81","0.03","90","","2439","1.3","296.2","","296.2","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 N2 O2 -","- C13 H14 N2 O2 -","- C104 H112 N16 O16 -","8","1","","George, Sumod; Nangia, Ashwini; Bagieu-Beucher, Muriel; Masse, René; Nicoud, Jean-François","Crystal engineering of two-dimensional polar layer structures: hydrogen bond networks in some N-meta-phenylpyrimidinones","New Journal of Chemistry","2003","27","3","568","","10.1039/b207090a","","","0.7107","MoKα","","0.0604","0.06","","0.055","","0.055","","","2.003","","","2","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052500","10.42","0.002","15.207","0.003","19.435","0.004","106.31","0.03","101.79","0.03","99.4","0.03","2812.4","1.2","301","2","301","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H81 Cl2 N O P4 Pt2 -","- C46 Cl2 N O P4 Pt2 -","- C92 Cl4 N2 O2 P8 Pt4 -","2","1","","Tao, Chi-Hang; Wong, Keith Man-Chung; Zhu, Nianyong; Yam, Vivian Wing-Wah","Versatile precursors for multinuclear platinum(ii) alkynyl assembly—synthesis, structural characterization and electrochemical studies of luminescent platinum(ii) alkynyl complexes","New Journal of Chemistry","2003","27","1","150","","10.1039/b210772b","","","0.71073","MoKα","","0.0943","0.0536","","","0.1318","0.1452","","","","","","0.889","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7052501","9.8986","0.0002","31.4972","0.0004","10.9253","0.0004","90","","95.29","0.001","90","","3391.76","0.15","293","2","293","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C18 H36 Cl2 N2 O17 P4 Pb3 -","- C18 H26 Cl2 N2 O17 P4 Pb3 -","- C72 H104 Cl8 N8 O68 P16 Pb12 -","4","0.5","","Sun, Zhong-Ming; Mao, Jiang-Gao; Sun, Yan-Qiong; Zeng, Hui-Yi; Clearfield, Abraham","Hydrothermal synthesis, characterization and crystal structures of two new layered lead(ii) diphosphonates","New Journal of Chemistry","2003","27","9","1326","","10.1039/b302240b","","","0.71073","MoKα","","0.0623","0.0548","","","0.1519","0.1616","","","","","","1.073","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052523","14.2645","0.0007","14.2645","0.0007","18.4532","0.0009","90","","90","","90","","3754.8","0.3","173","2","173","2","","","","","","","","5","P -4 2 c","P -4 2c","112","","","","- C72 H96 Br N O22 -","- C72 H74 Br N O22 -","- C144 H148 Br2 N2 O44 -","2","0.25","","Mansikkamäki, Heidi; Nissinen, Maija; Schalley, Christoph A.; Rissanen, Kari","Self-assembling resorcinarene capsules: solid and gas phase studies on encapsulation of small alkyl ammonium cations","New Journal of Chemistry","2003","27","1","88","","10.1039/b207875a","","","0.71073","MoKα","","0.1313","0.0878","","","0.2231","0.2541","","","","","","1.068","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052524","27.441","0.0004","27.4283","0.0006","26.075","0.0005","90","","121.702","0.002","90","","16697.3","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C82 H118.25 Cl N O23 -","- C82 H116 Cl N O22 -","- C656 H928 Cl8 N8 O176 -","8","1","","Mansikkamäki, Heidi; Nissinen, Maija; Schalley, Christoph A.; Rissanen, Kari","Self-assembling resorcinarene capsules: solid and gas phase studies on encapsulation of small alkyl ammonium cations","New Journal of Chemistry","2003","27","1","88","","10.1039/b207875a","","","0.71073","MoKα","","0.2264","0.092","","","0.2069","0.2682","","","","","","1.039","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052525","14.223","0.0007","14.223","0.0007","21.5472","0.0015","90","","90","","90","","4358.9","0.4","173","2","173","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C84 H124 Br N O24 -","- C84.04 H112 Br N O24 -","- C168.08 H224 Br2 N2 O48 -","2","0.125","","Mansikkamäki, Heidi; Nissinen, Maija; Schalley, Christoph A.; Rissanen, Kari","Self-assembling resorcinarene capsules: solid and gas phase studies on encapsulation of small alkyl ammonium cations","New Journal of Chemistry","2003","27","1","88","","10.1039/b207875a","","","0.71073","MoKα","","0.1353","0.0939","","","0.2666","0.2958","","","","","","1.101","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052526","22.496","0.0004","13.7567","0.0003","27.7823","0.0006","90","","100.656","0.001","90","","8449.5","0.3","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H124 Cl N O20 -","- C88 H124 Cl N O20 -","- C352 H496 Cl4 N4 O80 -","4","0.5","","Mansikkamäki, Heidi; Nissinen, Maija; Schalley, Christoph A.; Rissanen, Kari","Self-assembling resorcinarene capsules: solid and gas phase studies on encapsulation of small alkyl ammonium cations","New Journal of Chemistry","2003","27","1","88","","10.1039/b207875a","","","0.71073","MoKα","","0.1696","0.0729","","","0.1906","0.2506","","","","","","0.998","","","","has coordinates","301851","2025-08-21","20:32:40",""
"7052527","13.3702","0.0004","13.7036","0.0004","14.4145","0.0007","106.713","0.0015","90.5037","0.0015","117.936","0.0019","2202.33","0.15","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H132 Cl N O20 -","- C92 H120 Cl N O20 -","- C92 H120 Cl N O20 -","1","0.5","","Mansikkamäki, Heidi; Nissinen, Maija; Schalley, Christoph A.; Rissanen, Kari","Self-assembling resorcinarene capsules: solid and gas phase studies on encapsulation of small alkyl ammonium cations","New Journal of Chemistry","2003","27","1","88","","10.1039/b207875a","","","0.71069","MoKα","","0.1679","0.0794","","","0.1998","0.2491","","","","","","1.021","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052528","13.3833","0.0002","13.7536","0.0002","14.4512","0.0003","106.68","0.0005","91.0839","0.0005","117.222","0.0005","2230.35","0.07","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C92 H132 Br N O20 -","- C92 H120 Br N O20 -","- C92 H120 Br N O20 -","1","0.5","","Mansikkamäki, Heidi; Nissinen, Maija; Schalley, Christoph A.; Rissanen, Kari","Self-assembling resorcinarene capsules: solid and gas phase studies on encapsulation of small alkyl ammonium cations","New Journal of Chemistry","2003","27","1","88","","10.1039/b207875a","","","0.71069","MoKα","","0.1071","0.0653","","","0.168","0.1974","","","","","","1.027","","","","has coordinates,has disorder","180079","2020-10-21","18:00:00",""
"7052529","13.2301","0.0002","13.5456","0.0003","14.779","0.0004","105.801","0.0006","90.7846","0.0007","118.409","0.001","2209.22","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C90 H131 Br N O20.5 -","- C90 H112 Br N O20.5 -","- C90 H112 Br N O20.5 -","1","0.5","","Mansikkamäki, Heidi; Nissinen, Maija; Schalley, Christoph A.; Rissanen, Kari","Self-assembling resorcinarene capsules: solid and gas phase studies on encapsulation of small alkyl ammonium cations","New Journal of Chemistry","2003","27","1","88","","10.1039/b207875a","","","0.71069","MoKα","","0.1224","0.0722","","","0.1758","0.2059","","","","","","1.04","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7054241","18.949","0.002","18.949","0.002","18.949","0.002","117.25","0.02","117.25","0.02","117.25","0.02","2879","6","","","293","2","","","","","","","","4","R -3 :R","-P 3*","148","N-(2'-Methylphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12- dicarboximide","N-(2'-Methylphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboximide","","- C25 H19 N O2 -","- C25 H19 N O2 -","- C150 H114 N6 O12 -","6","1","","Seisenbaeva, Gulaim A.; Gohil, Suresh; Jansson, Kjell; Herbst, Konrad; Brorson, Michael; Kessler, Vadim G.","Solution interaction of O-donor ligand metal complexes with thiocarbonyl compounds?a new general route to metal sulfide materials","New Journal of Chemistry","2003","27","7","1059","","10.1039/b300398c","","","1.54178","CuKα","","0.0486","0.0436","","0.1172","","0.1124","","","","","","1.122","","","","has coordinates,has disorder","180096","2020-10-21","18:00:00",""
"7054242","10.489","0.003","10.626","0.002","17.737","0.003","79.166","0.014","79.92","0.02","89.27","0.02","1911.3","0.7","","","293","2","","","","","","","","4","P -1","-P 1","2","N-(2'-Methoxyphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12- dicarboximide","N-(2'-Methoxyphenyl)-9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboximide","","- C25 H19 N O3 -","- C25 H19 N O3 -","- C100 H76 N4 O12 -","4","2","","Seisenbaeva, Gulaim A.; Gohil, Suresh; Jansson, Kjell; Herbst, Konrad; Brorson, Michael; Kessler, Vadim G.","Solution interaction of O-donor ligand metal complexes with thiocarbonyl compounds?a new general route to metal sulfide materials","New Journal of Chemistry","2003","27","7","1059","","10.1039/b300398c","","","1.54178","CuKα","","0.0521","0.0463","","0.1408","","0.1338","","","","","","1.085","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7054243","10.9","0.002","12.637","0.003","15.214","0.004","90","","108.16","0.02","90","","1991.2","0.8","","","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N-(2'-Ethoxyphenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12- dicarboximide","N-(2'-Ethoxyphenyl)-9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboximide","","- C26 H21 N O3 -","- C26 H21 N O3 -","- C104 H84 N4 O12 -","4","1","","Seisenbaeva, Gulaim A.; Gohil, Suresh; Jansson, Kjell; Herbst, Konrad; Brorson, Michael; Kessler, Vadim G.","Solution interaction of O-donor ligand metal complexes with thiocarbonyl compounds?a new general route to metal sulfide materials","New Journal of Chemistry","2003","27","7","1059","","10.1039/b300398c","","","1.54178","CuKα","","0.0481","0.044","","0.1254","","0.1207","","","","","","1.064","","","","has coordinates","180096","2020-10-21","18:00:00",""
"7209362","4.38","","4.38","","10.48","","90","","90","","90","","201.053","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Sr Ag2 Si2","","- Ag2 Si2 Sr -","- Ag2 Si2 Sr -","- Ag4 Si4 Sr2 -","2","0.0625","","Schaefer, H.; May, N.","Neue Verbindungen im Th Cr2 Si2 -Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","864","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209364","4.81","","4.81","","11.35","","90","","90","","90","","262.595","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ba Ag2 Sn2","","- Ag2 Ba Sn2 -","- Ag2 Ba Sn2 -","- Ag4 Ba2 Sn4 -","2","0.0625","","Schaefer, H.; May, N.","Meue Verbindungen im Th Cr2 Si2 -Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","864","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209401","4.43","","4.43","","10.23","","90","","90","","90","","200.763","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca Au2 Ge2","","- Au2 Ca Ge2 -","- Au2 Ca Ge2 -","- Au4 Ca2 Ge4 -","2","0.0625","","May, N.; Schaefer, H.","Neue Verbindungen im Th Cr2 Si2 -Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","864","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209408","4.51","","4.51","","10.35","","90","","90","","90","","210.52","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Sr Au2 Ge2","","- Au2 Ge2 Sr -","- Au2 Ge2 Sr -","- Au4 Ge4 Sr2 -","2","0.0625","","Schaefer, H.; May, N.","Neue Verbindungen im Th Cr2 Si2 -Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","864","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209418","4.65","","4.65","","10.56","","90","","90","","90","","228.334","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ba Au3.16 Ge.84","","- Au3.16 Ba Ge0.84 -","- Au3.16 Ba Ge0.84 -","- Au6.32 Ba2 Ge1.68 -","2","0.0625","","May, N.; Schaefer, H.","Meue Verbindungen im Th Cr2 Si2 -Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","864","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209494","12.1866","","12.1866","","12.1866","","90","","90","","90","","1809.87","","","","","","","","","","","","","4","F -4 3 c","F -4a 2 3","219","","Li4 (B7 O12) Cl","","- B7 Cl Li4 O12 -","- B7 Cl Li4.1 O12 -","- B56 Cl8 Li32.8 O96 -","8","0.0833333","","Bither, T.A.; Jeitschko, W.","Lithium halogenoboracites - the crystal structures of Li4 B7 O12 Cl","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","1423","1423","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7222185","9.318","","7.461","","9.318","","87.008","","112.343","","103.313","","582.617","","","","","","","","","","","","","4","P -1","-P 1","2","","(S4 N3) Bi Cl4","","- Bi Cl4 N3 S4 -","- Bi Cl4 N3 S4 -","- Bi2 Cl8 N6 S8 -","2","1","","Kruss, B.; Ziegler, M.L.","Die Kristall- und Molekuelstruktur von (S4 N3) Bi Cl4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","1282","1283","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222659","4.02","","4.02","","9.92","","90","","90","","90","","160.311","","","","","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","Ca Be2 Ge2","","- Be2 Ca Ge2 -","- Be2 Ca Ge2 -","- Be4 Ca2 Ge4 -","2","0.125","","Eisenmann, B.; May, N.; Schaefer, H.; Mueller, W.","Eine neue strukturelle Variante des Ba Al4-Typs: Der Ca Be2 Ge2-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","1155","1157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222660","5","","5","","12.11","","90","","90","","90","","302.75","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","","","- Ba Mg2 Pb2 -","- Ba Mg2 Pb2 -","- Ba2 Mg4 Pb4 -","2","0.125","","Eisenmann, B.; May, N.; Schaefer, H.; Mueller, W.","Eine neue strukturelle Variante des Ba Al4-Typs: Der Ca Be2 Ge2-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","1155","1157","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222661","4.69","","4.69","","11.33","","90","","90","","90","","249.216","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Ba Zn2 Sn2","","- Ba Sn2 Zn2 -","- Ba Sn2 Zn2 -","- Ba2 Sn4 Zn4 -","2","0.125","","Eisenmann, B.; May, N.; Mueller, W.; Schaefer, H.","Eine neue strukturelle Variante des Ba Al4-Typs: Der Ca Be2 Ge2-Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","1155","1157","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222833","8.25","","8.25","","6.72","","90","","90","","90","","457.38","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Sr Al2 Te4","","- Al2 Sr Te4 -","- Al2 Sr Te4 -","- Al4 Sr2 Te8 -","2","0.0625","","Franke, E.R.; Schaefer, H.","Zur Strukturchemie ternaerer Telluride der Alkali- und Erdalkalimetalle mit den Elementen der dritten Hauptgruppe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","1308","1315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222834","8.21","","8.21","","6.75","","90","","90","","90","","454.978","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Sr Ga2 Te4","","- Ga2 Sr Te4 -","- Ga2 Sr Te4 -","- Ga4 Sr2 Te8 -","2","0.0625","","Franke, E.R.; Schaefer, H.","Zur Strukturchemie ternaerer Telluride der Alkali- und Erdalkalimetalle mit den Elementen der dritten Hauptgruppe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","1308","1315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222835","8.27","","8.27","","7.22","","90","","90","","90","","493.797","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Sr In2 Te4","","- In2 Sr Te4 -","- In2 Sr Te4 -","- In4 Sr2 Te8 -","2","0.0625","","Franke, E.R.; Schaefer, H.","Zur Strukturchemie ternaerer Telluride der Alkali- und Erdalkalimetalle mit den Elementen der dritten Hauptgruppe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","1308","1315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222836","8.5","","8.5","","6.72","","90","","90","","90","","485.52","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Ba Al2 Te4","","- Al2 Ba Te4 -","- Al2 Ba Te4 -","- Al4 Ba2 Te8 -","2","0.0625","","Franke, E.R.; Schaefer, H.","Zur Strukturchemie ternaerer Telluride der Alkali- und Erdalkalimetalle mit den Elementen der dritten Hauptgruppe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","1308","1315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222837","8.42","","8.42","","6.78","","90","","90","","90","","480.678","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Ba Ga2 Te4 -","- Ba Ga2 Te4 -","- Ba2 Ga4 Te8 -","2","0.0625","","Franke, E.R.; Schaefer, H.","Zur Strukturchemie ternaerer Telluride der Alkali- und Erdalkalimetalle mit den Elementen der dritten Hauptgruppe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","1308","1315","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222838","8.44","","8.44","","7.2","","90","","90","","90","","512.882","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","","","- Ba In2 Te4 -","- Ba In2 Te4 -","- Ba2 In4 Te8 -","2","0.0625","","Franke, E.R.; Schaefer, H.","Zur Strukturchemie ternaerer Telluride der Alkali- und Erdalkalimetalle mit den Elementen der dritten Hauptgruppe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","1308","1315","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222839","8.33","","8.33","","7.27","","90","","90","","90","","504.457","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","Na In Te2","","- In Na Te2 -","- In Na Te2 -","- In4 Na4 Te8 -","4","0.125","","Franke, E.R.; Schaefer, H.","Zur Strukturchemie ternaerer Telluride der Alkali- und Erdalkalimetalle mit den Elementen der dritten Hauptgruppe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","1308","1315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222840","8.52","","8.52","","7.39","","90","","90","","90","","536.443","","","","","","","","","","","","","3","I 4/m c m","-I 4 2c","140","","K In Te2","","- In K Te2 -","- In K Te2 -","- In4 K4 Te8 -","4","0.125","","Franke, E.R.; Schaefer, H.","Zur Strukturchemie ternaerer Telluride der Alkali- und Erdalkalimetalle mit den Elementen der dritten Hauptgruppe","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","1308","1315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222844","10.13","","7.95","","17.63","","90","","95.1","","90","","1414.19","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","K2 Sb4 S7","","- K2 S7 Sb4 -","- K2 S7 Sb4 -","- K8 S28 Sb16 -","4","0.5","","Graf, H.A.; Schaefer, H.","Darstellung und Kristallstruktur des K2 Sb4 S7","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","735","739","","","","","","","","","","","","","","","","","","","","","","has coordinates","165444","2020-10-21","18:00:00",""
"7222881","4.56","","4.56","","11.63","","90","","90","","90","","241.83","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Sr Cd2 Ge2","","- Cd2 Ge2 Sr -","- Cd2 Ge2 Sr -","- Cd4 Ge4 Sr2 -","2","0.0625","","May, N.; Schaefer, H.","Neue Verbindungen im Th Cr2 Si2 -Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","864","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222882","4.46","","4.46","","11.19","","90","","90","","90","","222.587","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Sr Al2 Pb2","","- Al2 Pb2 Sr -","- Al2 Pb2 Sr -","- Al4 Pb4 Sr2 -","2","0.0625","","May, N.; Schaefer, H.","Neue Verbindungen im Th Cr2 Si2 -Typ","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","864","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223713","5.431","","5.431","","14","","90","","90","","120","","357.617","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Tl Al O2","","- Al O2 Tl -","- Al O2 Tl -","- Al6 O12 Tl6 -","6","0.166667","","Sabrowsky, H.","Zur Kenntnis der Kristallstrukturen von beta-Tl Al O2, beta-Tl Ga O2 und Tl Fe O2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","1567","1567","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7223714","5.521","","5.521","","14.54","","90","","90","","120","","383.823","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Tl Fe O2","","- Fe O2 Tl -","- Fe O2 Tl -","- Fe6 O12 Tl6 -","6","0.166667","","Sabrowsky, H.","Zur Kenntnis der Kristallstrukturen von beta-Tl Al O2, beta-Tl Ga O2 und Tl Fe O2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1972","27","","1567","1567","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7249460","16.07317","0.0001","6.24689","0.00004","35.5828","0.0002","90","","101.201","0.0006","90","","3504.71","0.04","100","0.2","100","0.2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C22 H17 F4 N O -","- C22 H17 F4 N O -","- C176 H136 F32 N8 O8 -","8","1","","Sakshi,; Gupta, Yogita; Robertson, Craig M.; Munshi, Parthapratim; Roy Choudhury, Angshuman","Organic fluorine mediated intermolecular interactions: insights from experimental and theoretical charge density analyses","CrystEngComm","2025","27","4","478","487","10.1039/D4CE00829D","","x-ray","0.71073","MoKα","","0.0368","0.0326","","","0.105","0.1092","","","","","","1.081","","","","has coordinates","298190","2025-03-04","19:45:46",""
"7249575","17.0841","0.0008","17.0841","0.0008","14.98","0.0009","90","","90","","120","","3786.4","0.3","296.15","","296.15","","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C61 H73.97 Co3 N8 O22 -","- C43.9998 H25.9998 Co3 N3.9999 O13 -","- C87.9996 H51.9996 Co6 N7.9998 O26 -","2","0.0833333","","Ding, Wenyu; Tang, Xinyu; Jin, Sheng; Li, Zhao; Xu, Dongwei; Kang, Xiaomin; Liu, Zhiliang","High-efficiency green catalytic conversion for waste CS2 by non-noble metal cage-based MOFs: an access pathway to high-value thiazolidine-2-thione","Green Chemistry","2025","27","1","218","226","10.1039/D4GC04541F","","","0.71073","MoKα","","0.0493","0.0379","","","0.1001","0.1062","","","","","","1.023","","","","has coordinates","298956","2025-04-05","03:26:59",""
"7249599","11.6467","0.0003","5.656","0.0001","31.9545","0.0012","90","","90","","90","","2104.96","0.1","293","","293","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C6 H6 F3 N5 O4 -","- C6 H6 F3 N5 O4 -","- C48 H48 F24 N40 O32 -","8","2","","Yin, Dangyue; Yang, Boqian; Lv, Hongyu; Song, Siwei; Wang, Yi; Zhang, Qinghua","3,5-Dinitro-1-(3,3,3-trifluoropropyl)-1H-pyrazol-4-amine as an insensitive and thermostable energetic melt-castable material","CrystEngComm","2025","27","1","8","12","10.1039/D4CE01036A","","","1.54178","CuKα","","0.0785","0.0664","","","0.1828","0.1933","","","","","","1.056","","","","has coordinates","298177","2025-03-04","19:40:07",""
"7249601","12.7721","0.0003","9.5804","0.0002","19.5867","0.0004","90","","101.106","0.002","90","","2351.78","0.09","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C11 H8 Hg O3 S -","- C11 H8 Hg O3 S -","- C88 H64 Hg8 O24 S8 -","8","2","","Kushwaha, Aparna; Srivastava, Devyani; Kociok-Köhn, Gabriele; Ahmed, Sarfaraz; Tiekink, Edward R. T.; Kumar, Abhinav","On the nature and interplay of Hg⋯O/S spodium bonding and O⋯S chalcogen bonding in one-dimensional phenylmercury(ii) 3-alkoxycyclobutene-1,2-dione-4-thiolate coordination polymers","CrystEngComm","2025","27","1","64","80","10.1039/D4CE00879K","","x-ray","1.54184","CuKα","","0.0402","0.0396","","","0.1001","0.1005","","","","","","1.24","","","","has coordinates","298173","2025-03-04","19:38:19",""
"7249602","6.112","0.0002","7.8713","0.0003","14.3546","0.0008","101.423","0.004","102.236","0.004","90.002","0.003","660.9","0.05","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H10 Hg O3 S -","- C12 H10 Hg O3 S -","- C24 H20 Hg2 O6 S2 -","2","1","","Kushwaha, Aparna; Srivastava, Devyani; Kociok-Köhn, Gabriele; Ahmed, Sarfaraz; Tiekink, Edward R. T.; Kumar, Abhinav","On the nature and interplay of Hg⋯O/S spodium bonding and O⋯S chalcogen bonding in one-dimensional phenylmercury(ii) 3-alkoxycyclobutene-1,2-dione-4-thiolate coordination polymers","CrystEngComm","2025","27","1","64","80","10.1039/D4CE00879K","","x-ray","0.71073","MoKα","","0.0487","0.0396","","","0.0717","0.075","","","","","","1.075","","","","has coordinates,has disorder","298173","2025-03-04","19:38:19",""
"7249622","32.329","0.0019","32.329","0.0019","7.1254","0.0005","90","","90","","120","","6449.5","0.7","296","","296","","","","","","","","","3","P 64","P 64","172","","","","- C33.05 H56.45 O2 -","- C32 H54 O2 -","- C192 H324 O12 -","6","1","","Khotchasanthong, Kenika; Pootaeng-On, Yupa; Rayanil, Kanok-on; Sukwattanasinitt, Mongkol; Laksee, Sakchai; Chainok, Kittipong","Structure features of a supramolecular organic framework self-assembled from a chiral natural compound","CrystEngComm","2025","27","3","297","301","10.1039/D4CE01008F","","x-ray","0.71073","MoKα","K-L~3~","0.0646","0.0426","","","0.0958","0.1042","","","","","","0.978","","","","has coordinates,has disorder","298221","2025-03-04","19:53:27",""
"7249623","10.201","0.004","10.349","0.004","11.762","0.005","86.291","0.01","74.948","0.008","78.418","0.009","1174.6","0.8","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H50 Cu3 N8 O12 -","- C42 H50 Cu3 N8 O12 -","- C42 H50 Cu3 N8 O12 -","1","0.5","","Benito, Mónica; Mahmoudi, Ghodrat; Molins, Elies; Zangrando, Ennio; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Versatile copper(ii) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid","CrystEngComm","2025","27","2","164","175","10.1039/D4CE01021C","","x-ray","0.71073","MoKα","","0.2009","0.0992","","","0.2171","0.2669","","","","","","1.056","","","","has coordinates","298197","2025-03-04","19:47:19",""
"7249624","8.7721","0.0012","11.1218","0.0016","13.0204","0.0018","91.724","0.003","107.466","0.003","105.767","0.003","1157.5","0.3","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 Cu N8 O3 -","- C24 H20 Cu N8 O3 -","- C48 H40 Cu2 N16 O6 -","2","1","","Benito, Mónica; Mahmoudi, Ghodrat; Molins, Elies; Zangrando, Ennio; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Versatile copper(ii) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid","CrystEngComm","2025","27","2","164","175","10.1039/D4CE01021C","","x-ray","0.71073","MoKα","","0.2104","0.074","","","0.1243","0.1699","","","","","","0.961","","","","has coordinates","298197","2025-03-04","19:47:20",""
"7249625","5.1202","0.0003","7.4808","0.0004","30.0866","0.0017","94.0667","0.0011","92.6734","0.0011","95.8618","0.0012","1141.81","0.11","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Cu N4 O7 -","- C21 H28 Cu N4 O7 -","- C42 H56 Cu2 N8 O14 -","2","1","","Benito, Mónica; Mahmoudi, Ghodrat; Molins, Elies; Zangrando, Ennio; Servati Gargari, Masoumeh; Gomila, Rosa M.; Frontera, Antonio; Safin, Damir A.","Versatile copper(ii) discrete and polymeric coordination compounds with (pyridine-2-yl)methylenenicotinohydrazide and azelaic acid","CrystEngComm","2025","27","2","164","175","10.1039/D4CE01021C","","x-ray","0.71073","MoKα","","0.0363","0.0325","","","0.0847","0.0872","","","","","","1.045","","","","has coordinates","298197","2025-03-04","19:47:20",""
"7249627","15.043","0.003","7.2223","0.0013","23.229","0.004","90","","100.863","0.005","90","","2478.5","0.8","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H28 N4 O2 S -","- C27 H28 N4 O2 S -","- C108 H112 N16 O8 S4 -","4","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.126","0.0658","","","0.1601","0.1944","","","","","","1.024","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249628","3.968","0.002","19.46","0.011","25.084","0.013","90","","91.79","0.02","90","","1936","1.8","297","2","297","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Cl2 N3 S -","- C22 H15 Cl2 N3 S -","- C88 H60 Cl8 N12 S4 -","4","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.1621","0.0778","","","0.1701","0.2131","","","","","","1.046","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249629","24.961","0.006","17.276","0.004","14.02","0.003","90","","122.367","0.007","90","","5106","2","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C46 H30 Cl10 N6 S2 Zn -","- C46 H30 Cl10 N6 S2 Zn -","- C184 H120 Cl40 N24 S8 Zn4 -","4","0.5","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0907","0.0773","","","0.221","0.2322","","","","","","1.075","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249630","31.105","0.003","9.3163","0.001","19.108","0.002","90","","118.737","0.003","90","","4855.2","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H50 N8 O4 S2 Zn -","- C52 H50 N8 O4 S2 Zn -","- C208 H200 N32 O16 S8 Zn4 -","4","0.5","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0756","0.0473","","","0.1203","0.1543","","","","","","1.188","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249631","9.909","0.005","15.867","0.009","18.059","0.01","105.037","0.019","97.95","0.02","103.998","0.019","2599","2","298","2","298","","","","","","","","","6","P -1","-P 1","2","","","","- C46.2 H30.2 Cl10.6 N6 S2 Zn -","- C45 H29 Cl7 N6 S2 Zn -","- C90 H58 Cl14 N12 S4 Zn2 -","2","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.1161","0.0734","","","0.2175","0.2425","","","","","","1.069","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249632","8.74","0.003","16.268","0.006","18.987","0.007","83.243","0.012","85.719","0.013","85.156","0.013","2665.6","1.7","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C55 H57 N9 O5 S2 Zn -","- C55 H57 N9 O5 S2 Zn -","- C110 H114 N18 O10 S4 Zn2 -","2","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0839","0.0625","","","0.1655","0.1787","","","","","","1.014","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249633","8.1754","0.0006","19.3485","0.0014","23.8411","0.0018","90","","90","","90","","3771.2","0.5","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H19 N3 O S -","- C23 H19 N3 O S -","- C184 H152 N24 O8 S8 -","8","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0656","0.0425","","","0.0998","0.1105","","","","","","1.036","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249634","25.202","0.002","9.4183","0.0009","20.248","0.002","90","","90","","90","","4806.1","0.8","144","2","144","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C46 H30 Cl10 N6 S2 Zn -","- C46 H30 Cl10 N6 S2 Zn -","- C184 H120 Cl40 N24 S8 Zn4 -","4","0.5","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.0755","0.0677","","","0.1734","0.1827","","","","","","1.042","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249635","4.4462","0.0003","18.662","0.0014","22.7605","0.0017","90","","90","","90","","1888.6","0.2","298","2","298","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H15 Cl2 N3 S -","- C22 H15 Cl2 N3 S -","- C88 H60 Cl8 N12 S4 -","4","1","","Nath, Jitendra; Baruah, Jubaraj B.","Positional isomers of (E)-2-(anthracen-9-ylmethylene)-N-(aryl)hydrazinecarbothioamide, zinc complexes and polymorphic solvates","CrystEngComm","2025","27","1","46","54","10.1039/D4CE00992D","","","0.71073","MoKα","","0.1264","0.0642","","","0.1084","0.1401","","","","","","1.176","","","","has coordinates","298176","2025-03-04","19:39:52",""
"7249638","7.37282","0.00015","9.47074","0.0002","11.36393","0.00022","90","","103.801","0.0011","90","","770.59","0.03","300","","300","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","HoCr3(BO3)4","- B4 Cr3 Ho O12 -","- B4 Cr3 Ho O12 -","- B16 Cr12 Ho4 O48 -","4","0.5","","Moshkina, Evgeniya; Mikhashenok, Natalya; Kokh, Dieter; Pavlovskiy, Maxim; Cherepakhin, Alexander; Eremin, Evgeniy; Zolotov, Andrey; Molokeev, Maxim","Study of flux growth of Cr-containing borates and oxyborates under the conditions of low Cr2O3 solubility","CrystEngComm","2025","27","2","226","237","10.1039/D4CE00943F","powder diffraction","x-ray","1.5406","CuKα~1~~2~","","","","","","","","","2.16","2.44","","","","","","","has coordinates","298194","2025-03-04","19:46:39",""
"7249639","5.9","0.003","12.748","0.006","28.745","0.015","90","","95.113","0.019","90","","2153.4","1.9","193","","193","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 F6 N6 O2 -","- C20 H16 F6 N6 O2 -","- C80 H64 F24 N24 O8 -","4","1","","Huang, Mengjun; Wang, Guoqiang; Li, Heyin; Zou, Zhenlei; Jia, Xingye; Karotsis, Georgios; Pan, Yi; Zhang, Weigang; Ma, Jing; Wang, Yi","EDA complex-mediated [3 + 2] cyclization for the synthesis of CF3-oxadiazoles","Green Chemistry","2025","27","2","413","419","10.1039/D4GC05267F","","","1.34139","GaKα","","0.1061","0.0641","","","0.1601","0.1915","","","","","","1.024","","","","has coordinates","298962","2025-04-05","03:28:31",""
"7249640","10.7282","0.0009","10.7734","0.0009","11.9845","0.0011","85.55","0.002","65.237","0.002","64.849","0.002","1130.01","0.17","298","2","298.15","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 F3 N5 O3 -","- C25 H18 F3 N5 O3 -","- C50 H36 F6 N10 O6 -","2","1","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID","CrystEngComm","2025","27","2","138","145","10.1039/D4CE00990H","","","0.71073","MoKα","","0.0718","0.0502","","","0.1207","0.1397","","","","","","1.071","","","","has coordinates","298191","2025-03-04","19:46:09",""
"7249641","8.012","0.0003","16.7621","0.0007","12.6282","0.0005","90","","91.0102","0.0003","90","","1695.68","0.12","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O4 -","- C19 H15 N3 O4 -","- C76 H60 N12 O16 -","4","1","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID","CrystEngComm","2025","27","2","138","145","10.1039/D4CE00990H","","","0.71073","MoKα","","0.1065","0.0514","","","0.1286","0.1809","","","","","","1.076","","","","has coordinates,has disorder","298191","2025-03-04","19:46:09",""
"7249642","12.1866","0.0013","14.7266","0.0016","26.278","0.003","90","","99.145","0.003","90","","4656.1","0.9","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N3 O5 -","- C26 H23 N3 O5 -","- C208 H184 N24 O40 -","8","2","","Kenguva, Gowtham; Rekha Rout, Smruti; Shaikh, Tabrez R.; Baidya, Debjani; Shelke, Nikita; Sanphui, Palash; Dandela, Rambabu","Exploring novel cocrystals of milrinone: a cardioprotective drug combined with nutraceuticals and an NSAID","CrystEngComm","2025","27","2","138","145","10.1039/D4CE00990H","","","0.71073","MoKα","","0.1347","0.0634","","","0.1572","0.1847","","","","","","0.976","","","","has coordinates","298191","2025-03-04","19:46:09",""
"7249643","8.56884","0.00006","8.56884","0.00006","30.61946","0.00018","90","","90","","120","","1947.03","0.02","169.98","0.1","170","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H32 Cu2 N8 O10 -","- C18 H32 Cu2 N8 O10 -","- C54 H96 Cu6 N24 O30 -","3","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","","1.54184","CuKα","","0.0336","0.0318","","","0.0746","0.0757","","","","","","1.055","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249644","8.61755","0.00019","8.61755","0.00019","30.5882","0.0006","90","","90","","120","","1967.22","0.07","270","1","270.15","","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H32 Cu2 N8 O10 -","- C18 H32 Cu2 N8 O10 -","- C54 H96 Cu6 N24 O30 -","3","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","","1.54184","CuKα","","0.0347","0.0313","","","0.0821","0.0849","","","","","","1.046","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249645","12.0896","0.00008","20.35323","0.00015","13.73806","0.00009","90","","90","","90","","3380.42","0.04","100","1","100","1","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C19.41 H30.22 Cu2 N8 O8.59 -","- C19.406 H30.218 Cu2 N8 O8.594 -","- C77.624 H120.872 Cu8 N32 O34.376 -","4","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","x-ray","0.7","synchrotron","","0.0296","0.0296","","","0.0805","0.0805","","","","","","1.047","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249646","8.3611","0.001","8.3611","0.001","30.45","0.003","90","","90","","120","","1843.5","0.4","370","1","370","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C18 H26 Cu2 N8 O7 -","- C18 H24 Cu2 N8 O7 -","- C54 H72 Cu6 N24 O21 -","3","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","","1.54184","CuKα","","0.1029","0.0752","","","0.1967","0.2266","","","","","","0.963","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249647","12.09436","0.00016","13.9509","0.0002","20.3839","0.0003","90","","90","","90","","3439.32","0.08","170","1","170","1","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C18 H28 Cu2 N8 O8 -","- C18 H28 Cu2 N8 O8 -","- C72 H112 Cu8 N32 O32 -","4","0.5","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","x-ray","1.54184","CuKα","","0.0299","0.0298","","","0.0816","0.0818","","","","","","1.042","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249648","13.3717","0.0009","13.3717","0.0009","36.41","0.002","90","","90","","120","","5638","0.6","150","1","150","1","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C25.5 H54 Cu2 N8 O13.5 -","- C25.5 H54 Cu2 N8 O13.5 -","- C153 H324 Cu12 N48 O81 -","6","1","","Mrvoš-Sermek, Draginja; Tašner, Marina; Vušak, Darko; Judaš, Nenad; Wzgarda-Raj, Kinga; Đilović, Ivica; Matković-Čalogović, Dubravka","Robustness and stability of the l-carnosine copper(ii) dimer: changes in the copper coordination sphere upon heating/solvent substitution","CrystEngComm","2025","27","3","356","365","10.1039/D4CE01070A","","x-ray","0.71073","MoKα","","0.1463","0.1068","","","0.1967","0.2223","","","","","","1.062","","","","has coordinates,has disorder","298224","2025-03-04","19:54:14",""
"7249650","7.2425","0.0002","26.0431","0.0009","6.4409","0.0002","90","","90","","90","","1214.86","0.07","292.92","0.1","292.92","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H3 K N O3 -","- C5 H3 K N O3 -","- C40 H24 K8 N8 O24 -","8","1","","Simosono, Cintia A.; Flores, Leonã S.; Simões, Tatiana R. G.; do Pim, Walace D.; Julve, Miguel; Marinho, Maria Vanda","Oxamate-based potassium–organic assembly with the uncommon binodal (6,12)-coordinated alb topology","CrystEngComm","2025","27","2","176","183","10.1039/D4CE01066C","","x-ray","0.71073","MoKα","","0.0402","0.0339","","","0.0764","0.0793","","","","","","1.066","","","","has coordinates","298192","2025-03-04","19:46:18",""
"7249652","8.1644","0.001","14.9055","0.0016","15.8041","0.0018","90","","103.034","0.004","90","","1873.7","0.4","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 Cu I3 N4 -","- C10 H18 Cu I3 N4 -","- C40 H72 Cu4 I12 N16 -","4","0.5","","Han, Jiali; Zhu, Shujun; Chen, Xinxin; Zhou, Haichao; Pan, Jianguo; Pan, Shangke","Optical properties of [MMim]2[CuI3] crystals with 0D single-core trigonal planar structures","CrystEngComm","2025","27","1","38","45","10.1039/D4CE00750F","","x-ray","0.71073","MoKα","","0.0406","0.0322","","","0.0705","0.0757","","","","","","1.028","","","","has coordinates","298174","2025-03-04","19:38:29",""
"7249653","8.7857","0.0005","18.8668","0.0011","20.7919","0.0013","113.758","0.002","95.709","0.002","102.086","0.002","3018.7","0.3","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H32 N6 O16 S3 Tb3 -","- C60 H32 N6 O16 S3 Tb3 -","- C120 H64 N12 O32 S6 Tb6 -","2","1","","Xu, Shi-Xian; Lu, Na; Wang, Li; Liu, Sui-Jun","Chain-based fluorescent TbIII metal–organic framework with good stability as a blue-shift and turn-on sensor toward H2PO4−","CrystEngComm","2025","27","3","415","420","10.1039/D4CE01073F","","","0.71073","MoKα","","0.0786","0.0562","","","0.1401","0.1535","","","","","","1.036","","","","has coordinates","298217","2025-03-04","19:51:35",""
"7249654","6.514","0.0001","32.543","0.0008","12.9337","0.0003","90","","92.843","0.002","90","","2738.38","0.1","100","0.1","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H6 N16 O16 -","- C22.006 H6 N16.006 O16.006 -","- C88.024 H24 N64.024 O64.024 -","4","1","","Baraboshkin, N. M.; Zelenov, V. P.; Fedyanin, I. V.; Samigullina, A. I.; Klenov, M. S.","Cocrystals of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides and 1,5-dioxides: step-by-step development of crystal engineering of energetic materials","CrystEngComm","2025","27","3","386","399","10.1039/D4CE01081G","","x-ray","1.54184","CuKα","","0.0962","0.0935","","","0.2444","0.2462","","","","","","1.058","","","","has coordinates,has disorder","298225","2025-03-04","19:54:32",""
"7249655","7.5638","0.0002","9.2989","0.0002","15.196","0.0004","93.97","0.001","92.746","0.001","100.653","0.001","1045.86","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H8 N14 O9 -","- C18 H8 N14 O9 -","- C36 H16 N28 O18 -","2","1","","Baraboshkin, N. M.; Zelenov, V. P.; Fedyanin, I. V.; Samigullina, A. I.; Klenov, M. S.","Cocrystals of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides and 1,5-dioxides: step-by-step development of crystal engineering of energetic materials","CrystEngComm","2025","27","3","386","399","10.1039/D4CE01081G","","","0.71073","MoKα","","0.0889","0.0481","","","0.1228","0.155","","","","","","1.03","","","","has coordinates,has disorder","298225","2025-03-04","19:54:33",""
"7249656","7.6589","0.0003","8.3363","0.0003","22.852","0.0013","96.08","0.004","94.163","0.004","97.24","0.003","1433.78","0.11","146.55","0.16","146.55","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 Cd2 N9 O8 -","- C31 H23 Cd2 N9 O8 -","- C62 H46 Cd4 N18 O16 -","2","1","","Zhao, Yan; Zhou, Xing; Liu, Zheng-Yu; Wang, Jia-Jun; Ding, Bo; Liu, Gui-Xi; Yang, En-Cui","Tailoring the coordination microenvironment of Zn(ii) in a light-responsive coordination polymer system for molecular sensing and photodegradation performance","CrystEngComm","2025","27","3","325","336","10.1039/D4CE00952E","","x-ray","0.71073","MoKα","","0.041","0.0323","","","0.0634","0.069","","","","","","1.031","","","","has coordinates","298219","2025-03-04","19:52:14",""
"7249657","28.303","0.004","11.5779","0.0017","18.807","0.003","90","","128.062","0.002","90","","4852.3","1.3","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H19 Cd N9 O5.5 -","- C24.5 H19 Cd N9 O5.5 -","- C196 H152 Cd8 N72 O44 -","8","1","","Zhao, Yan; Zhou, Xing; Liu, Zheng-Yu; Wang, Jia-Jun; Ding, Bo; Liu, Gui-Xi; Yang, En-Cui","Tailoring the coordination microenvironment of Zn(ii) in a light-responsive coordination polymer system for molecular sensing and photodegradation performance","CrystEngComm","2025","27","3","325","336","10.1039/D4CE00952E","","","0.71073","MoKα","","0.0407","0.0288","","","0.0638","0.0674","","","","","","1.031","","","","has coordinates","298219","2025-03-04","19:52:18",""
"7249658","12.7084","0.0018","14.097","0.002","14.426","0.002","82.747","0.003","83.256","0.003","75.061","0.002","2467.4","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H38.5 Cd2 Cl0.5 N18 O11 -","- C49 H38.5 Cd2 Cl0.5 N18 O11 -","- C98 H77 Cd4 Cl N36 O22 -","2","1","","Zhao, Yan; Zhou, Xing; Liu, Zheng-Yu; Wang, Jia-Jun; Ding, Bo; Liu, Gui-Xi; Yang, En-Cui","Tailoring the coordination microenvironment of Zn(ii) in a light-responsive coordination polymer system for molecular sensing and photodegradation performance","CrystEngComm","2025","27","3","325","336","10.1039/D4CE00952E","","","0.71073","MoKα","","0.0478","0.0397","","","0.109","0.1122","","","","","","1.067","","","","has coordinates","298219","2025-03-04","19:52:34",""
"7249659","15.9636","0.0003","6.6463","0.0001","11.5269","0.0002","90","","98.41","0.002","90","","1209.84","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","1","","Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao","Chiral-driven formation of hybrid cyanurates with large birefringence","CrystEngComm","2025","27","1","30","37","10.1039/D4CE01123F","","x-ray","1.54184","CuKα","","0.0437","0.038","","","0.1038","0.1089","","","","","","1.066","","","","has coordinates","298175","2025-03-04","19:38:47",""
"7249660","7.8402","0.0001","12.4111","0.0001","12.473","0.0001","90","","96.746","0.001","90","","1205.29","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","S-a-MBACY","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","2","","Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao","Chiral-driven formation of hybrid cyanurates with large birefringence","CrystEngComm","2025","27","1","30","37","10.1039/D4CE01123F","","x-ray","1.54184","CuKα","","0.0336","0.0329","","","0.0907","0.0915","","","","","","1.056","","","","has coordinates","298175","2025-03-04","19:38:49",""
"7249661","7.8401","0.0001","12.4094","0.0001","12.4685","0.0001","90","","96.71","0.001","90","","1204.76","0.02","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N4 O3 -","- C11 H14 N4 O3 -","- C44 H56 N16 O12 -","4","2","","Zhao, Yue; Hu, Chun-Li; Chen, Peng-Fei; Zhang, Ming-Zhi; Mao, Jiang-Gao","Chiral-driven formation of hybrid cyanurates with large birefringence","CrystEngComm","2025","27","1","30","37","10.1039/D4CE01123F","","x-ray","1.54184","CuKα","","0.0416","0.0388","","","0.1042","0.107","","","","","","1.049","","","","has coordinates","298175","2025-03-04","19:38:49",""
"7249662","15.5314","0.0009","4.1737","0.0002","14.2425","0.0009","90","","90.82","0.006","90","","923.15","0.09","304.23","0.1","304.23","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Yuan, Yong; Liu, Xincong; Zhang, Feng; Bai, Chunyan; Tao, Yuyan; Bao, Xiazhen; Ji, Dongsheng; Huo, Congde","Electrochemical dehydrogenative annulation for the synthesis of 4-oxo-oxazolines","Green Chemistry","2025","27","1","96","101","10.1039/D4GC05119J","","x-ray","0.71073","MoKα","","0.0707","0.0455","","","0.1235","0.1446","","","","","","1.021","","","","has coordinates","298955","2025-04-05","03:26:48",""
"7249663","9.6534","0.0018","9.6534","0.0018","16.438","0.005","90","","90","","120","","1326.6","0.5","120.15","","298.15","","","","","","","","","4","P 63 m c","P 6c -2c","186","Phpm","TAC-HMTA","","- C18 H30 N14 S6 -","- C18 H30 N14 S6 -","- C36 H60 N28 S12 -","2","0.166667","","Yan, Wenjin; Wang, Tianwei; Hu, Yingxin; Chen, Longming; Wang, Peng; Pang, Chaoran; Lu, Rongwen; Zhang, Shufen","Two stacking types of three-dimensional cocrystal structures based on multiple hydrogen bonds","CrystEngComm","2025","27","2","269","276","10.1039/D4CE01071J","","","0.71073","MoKα","","0.0598","0.0455","","","0.1058","0.114","","","","","","1.057","","","","has coordinates","298198","2025-03-04","19:47:29",""
"7249664","15.4259","0.0002","21.5068","0.0003","15.6995","0.0002","90","","112.973","0.001","90","","4795.4","0.12","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C83 H101 Cl6 N O28 Pb2 S8 -","- C83 H101 Cl6 N O28 Pb2 S8 -","- C166 H202 Cl12 N2 O56 Pb4 S16 -","2","0.5","","Kim, Seulgi; Ju, Kyunghye; Kim, Taehun; Park, In-Hyeok","An unsymmetrically sandwiched bis(O3S2-macrocycle) lead(ii) complex via an endo/exo-coordination mode","CrystEngComm","2025","27","11","1529","1533","10.1039/D4CE01045K","","","0.71073","MoKα","","0.0553","0.0369","","","0.0745","0.0807","","","","","","1.031","","","","has coordinates,has disorder","298861","2025-04-05","02:41:20",""
"7249665","6.1429","0.00003","8.10668","0.00005","17.96048","0.00008","90","","93.279","0.0005","90","","892.941","0.008","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 Br N4 O3 -","- C8 H3 Br N4 O3 -","- C32 H12 Br4 N16 O12 -","4","1","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.022","0.022","","","0.0524","0.0524","","","","","","1.18","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249666","8.6295","0.0002","6.38437","0.00016","16.6319","0.0004","90","","91.796","0.002","90","","915.87","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H3 Br N4 O3 -","- C8 H3 Br N4 O3 -","- C32 H12 Br4 N16 O12 -","4","1","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.0259","0.0254","","","0.0697","0.0701","","","","","","1.112","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249667","8.14289","0.0001","5.60083","0.00007","9.26194","0.00011","90","","105.499","0.0013","90","","407.048","0.009","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H3 F N4 O3 -","- C8 H3 F N4 O3 -","- C16 H6 F2 N8 O6 -","2","1","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.0283","0.0282","","","0.0713","0.0714","","","","","","1.082","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249668","8.2076","0.0003","6.3054","0.0002","8.5808","0.0003","90","","108.588","0.003","90","","420.91","0.03","100","2","100","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C9 H6 N4 O2 -","- C9 H6 N4 O2 -","- C18 H12 N8 O4 -","2","0.5","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.04","0.0382","","","0.1027","0.1041","","","","","","1.097","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249669","5.89689","0.00013","8.54466","0.00018","9.10721","0.00012","77.3481","0.0015","87.0582","0.0015","80.0249","0.0018","440.931","0.015","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H6 N4 O3 -","- C9 H6 N4 O3 -","- C18 H12 N8 O6 -","2","1","","Zelenov, Victor P.; Fedyanin, Ivan V.; Samigullina, Aida I.; Larin, Alexandr A.; Sheremetev, Aleksei B.","R-Substituent vs. exocyclic oxygen: influence on synthesis and crystal packing of R-[1,2,5]oxadiazolo[3,4-c]cinnoline mono- and dioxides","CrystEngComm","2025","27","3","372","385","10.1039/D4CE01068J","","x-ray","1.54184","CuKα","","0.037","0.0359","","","0.0994","0.1004","","","","","","1.062","","","","has coordinates","298222","2025-03-04","19:53:41",""
"7249670","11.5164","0.0004","16.3636","0.0006","16.3579","0.0006","75.334","0.002","83.411","0.001","74.951","0.002","2875.96","0.18","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H59 B2 Co Fe2 N25 O9 -","- C43 H59 B2 Co Fe2 N25 O9 -","- C86 H118 B4 Co2 Fe4 N50 O18 -","2","1","","Li, Qiuyu; Cao, Qiuyue; Xi, Jing; Zhang, Ziyi; Yao, Binling; Shao, Dong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Structural regulation of three Fe–Co cyanometallate complexes: reactant ratio issue","CrystEngComm","2025","27","3","407","414","10.1039/D4CE01049C","","","0.71073","MoKα","","0.0828","0.0629","","","0.1696","0.1872","","","","","","1.06","","","","has coordinates","298220","2025-03-04","19:53:00",""
"7249671","10.9427","0.0011","13.2533","0.0014","14.3559","0.0015","69.317","0.003","75.823","0.003","69.273","0.003","1804.5","0.3","101.42","","101.42","","","","","","","","","8","P -1","-P 1","2","","","","- C58 H56 B2 Cl2 Co2 Fe2 N34 O10 -","- C58 H56 B2 Cl2 Co2 Fe2 N34 O10 -","- C58 H56 B2 Cl2 Co2 Fe2 N34 O10 -","1","0.5","","Li, Qiuyu; Cao, Qiuyue; Xi, Jing; Zhang, Ziyi; Yao, Binling; Shao, Dong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Structural regulation of three Fe–Co cyanometallate complexes: reactant ratio issue","CrystEngComm","2025","27","3","407","414","10.1039/D4CE01049C","","x-ray","0.71073","MoKα","","0.0396","0.0302","","","0.0772","0.0819","","","","","","1.047","","","","has coordinates","298220","2025-03-04","19:53:01",""
"7249672","12.1471","0.0008","26.0291","0.0014","12.147","0.0008","90","","106.52","","90","","3682.1","0.4","100","","100","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 B2 Co F4 Fe N16 O2 -","- C29 H31 B2 Co F4 Fe N16 O2 -","- C116 H124 B8 Co4 F16 Fe4 N64 O8 -","4","1","","Li, Qiuyu; Cao, Qiuyue; Xi, Jing; Zhang, Ziyi; Yao, Binling; Shao, Dong; Deng, Yi-Fei; Zhang, Yuan-Zhu","Structural regulation of three Fe–Co cyanometallate complexes: reactant ratio issue","CrystEngComm","2025","27","3","407","414","10.1039/D4CE01049C","","x-ray","1.34139","GaKα","","0.1083","0.0826","","","0.2033","0.2145","","","","","","1.044","","","","has coordinates","298220","2025-03-04","19:53:02",""
"7249673","7.6704","0.0002","8.0941","0.0003","8.4392","0.0003","90.866","0.001","109.238","0.001","92.487","0.001","493.98","0.03","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H3 Cs N12 -","- C4 H3 Cs N12 -","- C8 H6 Cs2 N24 -","2","1","","Zhang, Guofeng; Hao, Xue; Zou, Yongbin; Liu, Shichang; Wei, Junjie; Dong, Zhen; Ye, Zhiwen","Several energetic MOFs based on the N-rich energetic materials and alkali metals: towards high detonation performances and good stabilities","CrystEngComm","2025","27","2","277","283","10.1039/D4CE00981A","","","0.71073","MoKα","","0.0183","0.0174","","","0.0434","0.0438","","","","","","1.052","","","","has coordinates","298195","2025-03-04","19:46:49",""
"7249674","12.5111","0.0004","6.5119","0.0002","26.0556","0.0007","90","","90","","90","","2122.78","0.11","223","","223","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C4 H7 N12 Na O2 -","- C4 H7 N12 Na O2 -","- C32 H56 N96 Na8 O16 -","8","1","","Zhang, Guofeng; Hao, Xue; Zou, Yongbin; Liu, Shichang; Wei, Junjie; Dong, Zhen; Ye, Zhiwen","Several energetic MOFs based on the N-rich energetic materials and alkali metals: towards high detonation performances and good stabilities","CrystEngComm","2025","27","2","277","283","10.1039/D4CE00981A","","","1.54178","CuKα","","0.0413","0.0338","","","0.0879","0.0926","","","","","","1.07","","","","has coordinates","298195","2025-03-04","19:46:50",""
"7249675","6.7583","0.0002","7.8975","0.0002","9.8534","0.0003","85.648","0.002","73.651","0.002","87.923","0.002","503.13","0.03","223","","223","","","","","","","","","5","P -1","-P 1","2","","","","- C4 H5 K N12 O -","- C4 H5 K N12 O -","- C8 H10 K2 N24 O2 -","2","1","","Zhang, Guofeng; Hao, Xue; Zou, Yongbin; Liu, Shichang; Wei, Junjie; Dong, Zhen; Ye, Zhiwen","Several energetic MOFs based on the N-rich energetic materials and alkali metals: towards high detonation performances and good stabilities","CrystEngComm","2025","27","2","277","283","10.1039/D4CE00981A","","","1.54178","CuKα","","0.048","0.0391","","","0.1035","0.1105","","","","","","1.056","","","","has coordinates","298195","2025-03-04","19:46:50",""
"7249676","10.8914","0.0015","13.7161","0.0017","16.245","0.002","74.024","0.006","86.691","0.006","72.279","0.005","2221.5","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H60 Cl24 Nd4 O54 -","- C48 Cl24 Nd4 O54 -","- C48 Cl24 Nd4 O54 -","1","0.5","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0483","0.0464","","","0.1016","0.1027","","","","","","1.298","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249677","8.7595","0.0006","6.7789","0.0005","11.8297","0.0009","90","","95.615","0.003","90","","699.07","0.09","150","2","150","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H10 Cl4 O8 Y -","- C8 H10 Cl4 O8 Y -","- C16 H20 Cl8 O16 Y2 -","2","0.5","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0582","0.0486","","","0.1154","0.1208","","","","","","1.071","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249678","8.7604","0.0005","11.5722","0.0006","13.8453","0.0007","90.302","0.002","97.3","0.002","102.131","0.002","1360.39","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cl8 K O15 Tb -","- C16 H14 Cl8 K O15 Tb -","- C32 H28 Cl16 K2 O30 Tb2 -","2","1","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0137","0.0133","","","0.0312","0.0313","","","","","","1.077","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249679","8.1777","0.0011","12.7369","0.0019","13.969","0.002","85.23","0.006","77.92","0.006","87.757","0.006","1417.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Cl8 K La O15 -","- C16 H14 Cl8 K La O15 -","- C32 H28 Cl16 K2 La2 O30 -","2","1","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0327","0.0298","","","0.0731","0.0739","","","","","","1.074","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249680","11.564","0.0006","18.5537","0.0009","12.165","0.0006","90","","90","","90","","2610.1","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C16 H11 Cl8 O13 Y -","- C16 H11 Cl8 O13 Y -","- C64 H44 Cl32 O52 Y4 -","4","1","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0338","0.0265","","","0.0506","0.0529","","","","","","0.998","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249681","8.2758","0.0003","13.9934","0.0007","14.3376","0.0006","85.9932","0.0014","77.9272","0.0012","75.6109","0.0013","1572.45","0.12","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Cl8 K La O19 -","- C16 H22 Cl8 K La O19 -","- C32 H44 Cl16 K2 La2 O38 -","2","1","","Ngom, Fallou; Blais, Chloé; Badiane, Insa; Hénaff, Christine; Camara, Magatte; Daiguebonne, Carole; Guillou, Olivier","Influence of halogens on the crystal packing of 3,4,5,6-tetra-chloro-phthalate-based lanthanide coordination compounds","CrystEngComm","2025","27","2","210","225","10.1039/D4CE00966E","","","0.71073","MoKα","","0.0471","0.0415","","","0.1196","0.1232","","","","","","1.057","","","","has coordinates","298196","2025-03-04","19:47:06",""
"7249682","15.8758","0.0003","13.8581","0.0003","27.1887","0.0006","90","","106.2","0.002","90","","5744.2","0.2","138.15","","138.15","","","","","","","","","4","I 1 2 1","I 2y","5","","L-leucinium D-di-p-toluoyltartrate methanol solvate hydrate","","- C26.36 H33.93 N O11.11 -","- C26.357 H33.928 N O11.107 -","- C210.856 H271.424 N8 O88.856 -","8","2","","Shi, Linlin; Guo, Zhiqiang; Luo, Xiaofang; Hou, Lingli; Wu, Hongchang; De, Ruiyu; Huang, Xin; Wang, Ting; Hao, Hongxun; Wang, Na; Zhou, Lina","Chiral resolution of dl-leucine via salifying tartaric acid derivatives","CrystEngComm","2025","27","2","155","163","10.1039/D4CE01043D","","x-ray","1.54184","CuKα","","0.0659","0.0618","","","0.1778","0.1832","","","","","","1.048","","","","has coordinates,has disorder","298193","2025-03-04","19:46:32",""
"7249683","27.9114","0.0002","12.8536","0.0001","15.9008","0.0001","90","","106.049","0.001","90","","5482.27","0.07","128.15","","128.15","","","","","","","","","4","C 1 2 1","C 2y","5","","D-leucinium D-di-p-toluoyltartrate semihydrate","","- C52 H64 N2 O21 -","- C52 H64 N2 O21 -","- C208 H256 N8 O84 -","4","1","","Shi, Linlin; Guo, Zhiqiang; Luo, Xiaofang; Hou, Lingli; Wu, Hongchang; De, Ruiyu; Huang, Xin; Wang, Ting; Hao, Hongxun; Wang, Na; Zhou, Lina","Chiral resolution of dl-leucine via salifying tartaric acid derivatives","CrystEngComm","2025","27","2","155","163","10.1039/D4CE01043D","","x-ray","1.54184","CuKα","","0.0387","0.0385","","","0.1079","0.1081","","","","","","1.05","","","","has coordinates","298193","2025-03-04","19:46:32",""
"7249684","20.3798","0.0006","6.49","0.0002","25.5179","0.0007","90","","107.008","0.002","90","","3227.51","0.17","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H34 N20 O14 S -","- C16 H34 N20 O14 S -","- C64 H136 N80 O56 S4 -","4","0.5","","Wang, Jiapeng; Wang, Jianhua; Liu, Yucun; Yuan, Junming; Yu, Yanwu; Zhang, Yankang; Yan, Xuejian","A novel bis-(triazolyl)-furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity","CrystEngComm","2025","27","3","311","324","10.1039/D4CE01116C","","","1.54178","CuKα","","0.0476","0.0375","","","0.0988","0.1052","","","","","","1.063","","","","has coordinates","298226","2025-03-04","19:54:54",""
"7249685","7.2046","0.0002","12.8063","0.0003","18.89","0.0005","90","","100.014","0.002","90","","1716.32","0.08","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N13 O7 -","- C10 H13 N13 O7 -","- C40 H52 N52 O28 -","4","1","","Wang, Jiapeng; Wang, Jianhua; Liu, Yucun; Yuan, Junming; Yu, Yanwu; Zhang, Yankang; Yan, Xuejian","A novel bis-(triazolyl)-furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity","CrystEngComm","2025","27","3","311","324","10.1039/D4CE01116C","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","298226","2025-03-04","19:54:55",""
"7249686","10.205","0.002","10.512","0.002","11.184","0.003","90.85","0.004","94.688","0.004","96.027","0.004","1188.8","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H28 N12 O3 -","- C18 H28 N12 O3 -","- C36 H56 N24 O6 -","2","1","","Wang, Jiapeng; Wang, Jianhua; Liu, Yucun; Yuan, Junming; Yu, Yanwu; Zhang, Yankang; Yan, Xuejian","A novel bis-(triazolyl)-furoxan energetic compound—graphene-like crystal structure for balancing energy and sensitivity","CrystEngComm","2025","27","3","311","324","10.1039/D4CE01116C","","","0.71073","MoKα","","0.0917","0.0595","","","0.1679","0.1821","","","","","","1.061","","","","has coordinates,has disorder","298226","2025-03-04","19:54:55",""
"7249687","8.5511","0.0003","37.3176","0.0014","16.5685","0.0005","90","","94.354","0.003","90","","5271.9","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H34 Cl2 F18 N6 O7 -","- C52 H34 Cl2 F18 N6 O7 -","- C208 H136 Cl8 F72 N24 O28 -","4","1","","Fang, Zong-Bin; Xiao, Yue-Feng; Sun, Chong; Chen, Xinyao; Zhou, Lingyu; Chen, Li; Lu, Qiaomei; Xiao, Wang-Dong; Wu, Shu-Ting","Solubility, crystallization process optimization, and thermal properties of afoxolaner and the single-crystal structure of its hydrate","CrystEngComm","2025","27","6","795","800","10.1039/D4CE00975D","","","1.3405","GaKα","","0.1876","0.1374","","","0.3951","0.4182","","","","","","1.556","","","","has coordinates,has disorder","298201","2025-03-04","19:48:17",""
"7249688","17.3879","0.0003","7.727","0.0001","27.0872","0.0005","90","","94.9551","0.0016","90","","3625.73","0.1","93","2","93","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C50 H34 N4 O2 -","- C50 H34 N4 O2 -","- C200 H136 N16 O8 -","4","0.5","","Omasa, Koichiro; Yoshikawa, Isao; Houjou, Hirohiko","Mechanical-force-induced thermochromic-to-photochromic conversion of a coupled Schiff base hinged via a biphenyl moiety","CrystEngComm","2025","27","4","468","473","10.1039/D4CE01027B","","","1.54184","CuKα","","0.0396","0.0379","","","0.0998","0.1011","","","","","","1.042","","","","has coordinates","298188","2025-03-04","19:44:07",""
"7249689","8.6165","0.0001","16.5014","0.0002","13.323","0.0002","90","","107.227","0.0017","90","","1809.34","0.04","93","2","93","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N2 O -","- C25 H18 N2 O -","- C100 H72 N8 O4 -","4","1","","Omasa, Koichiro; Yoshikawa, Isao; Houjou, Hirohiko","Mechanical-force-induced thermochromic-to-photochromic conversion of a coupled Schiff base hinged via a biphenyl moiety","CrystEngComm","2025","27","4","468","473","10.1039/D4CE01027B","","","1.54184","CuKα","","0.0475","0.0463","","","0.1248","0.1261","","","","","","1.082","","","","has coordinates","298188","2025-03-04","19:44:07",""
"7249690","24.309","0.003","17.216","0.002","17.183","0.0019","90","","134.903","0.004","90","","5093.5","1.1","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C84 H60 O38 Th6 -","- C84 H60 O38 Th6 -","- C168 H120 O76 Th12 -","2","0.25","","McCusker, Thomas L.; Vanagas, Nicole A.; Szymanowski, Jennifer E. S.; Surbella, Robert G.; Bertke, Jeffery A.; Arteaga, Ana; Knope, Karah E.","Elucidating trends in synthesis and structural periodicity in a series of tetravalent actinide–oxo hexamers","CrystEngComm","2025","27","4","507","515","10.1039/D4CE01042F","","","0.71073","MoKα","","0.0368","0.0352","","","0.0988","0.0996","","","","","","1.241","","","","has coordinates,has disorder","298187","2025-03-04","19:43:52",""
"7249691","15.805","0.007","24.801","0.017","23.813","0.012","90","","95.628","0.019","90","","9289","9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H60 O36 Pu6 -","- C84 H60 O36 Pu6 -","- C336 H240 O144 Pu24 -","4","1","","McCusker, Thomas L.; Vanagas, Nicole A.; Szymanowski, Jennifer E. S.; Surbella, Robert G.; Bertke, Jeffery A.; Arteaga, Ana; Knope, Karah E.","Elucidating trends in synthesis and structural periodicity in a series of tetravalent actinide–oxo hexamers","CrystEngComm","2025","27","4","507","515","10.1039/D4CE01042F","","","0.71073","MoKα","","0.0947","0.0554","","","0.1248","0.1426","","","","","","1.074","","","","has coordinates,has disorder","298187","2025-03-04","19:43:52",""
"7249692","15.8168","0.0009","24.7055","0.0012","23.9238","0.0013","90","","95.234","0.002","90","","9309.5","0.9","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C87.28 H69.83 O40 U6 -","- C87.276 H69.828 O40 U6 -","- C349.104 H279.312 O160 U24 -","4","1","","McCusker, Thomas L.; Vanagas, Nicole A.; Szymanowski, Jennifer E. S.; Surbella, Robert G.; Bertke, Jeffery A.; Arteaga, Ana; Knope, Karah E.","Elucidating trends in synthesis and structural periodicity in a series of tetravalent actinide–oxo hexamers","CrystEngComm","2025","27","4","507","515","10.1039/D4CE01042F","","","0.71073","MoKα","","0.0542","0.0358","","","0.06","0.0643","","","","","","1.11","","","","has coordinates,has disorder","298187","2025-03-04","19:43:52",""
"7249693","9.6921","0.0008","15.7727","0.0014","12.6377","0.0012","90","","121.623","0.006","90","","1645.1","0.3","300","","300","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H42 N8 O3 -","- C31 H42 N8 O3 -","- C62 H84 N16 O6 -","2","1","","Martins, Inês C. B.; Belenguer, Ana M.; Lampronti, Giulio I.; Motloch, Petr","Three-phase reversible mechanochemical interconversion of hydrogen-bonded melamine : barbiturate co-crystals: from rosette to linear tape polymorphs","CrystEngComm","2025","27","3","307","310","10.1039/D4CE01230E","powder diffraction","XCelerator","1.54175","CuKα","","","","","","","","","1.6006","2.274","","","","","","","has coordinates","298218","2025-03-04","19:51:44",""
"7249694","32.4449","0.0014","8.4715","0.0003","17.0615","0.0007","90","","90","","90","","4689.5","0.3","200","2","200","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C29 H23 N O3 S -","- C29 H23 N O3 S -","- C232 H184 N8 O24 S8 -","8","1","","Mutra, Mohana Reddy; Chandana, T. L.; Wang, Jeh-Jeng","Atom-economical and workup-free multiparticipation of p-TsOH in yne-ynamide skeletal reshuffle: access to regiospecific, chemospecific, and stereospecific (E)-alkenyl sulfonate/ketone-tethered indoles","Green Chemistry","2025","27","4","1062","1072","10.1039/D4GC05876C","","","0.71073","MoKα","","0.0551","0.0425","","","0.118","0.1296","","","","","","1.039","","","","has coordinates","298961","2025-04-05","03:28:24",""
"7249695","10.0336","0.0002","11.9429","0.0002","13.2152","0.0002","87.388","0.001","78.345","0.001","75.543","0.001","1501.8","0.05","130","2","130","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H29 N O5 S2 -","- C36 H29 N O5 S2 -","- C72 H58 N2 O10 S4 -","2","1","","Mutra, Mohana Reddy; Chandana, T. L.; Wang, Jeh-Jeng","Atom-economical and workup-free multiparticipation of p-TsOH in yne-ynamide skeletal reshuffle: access to regiospecific, chemospecific, and stereospecific (E)-alkenyl sulfonate/ketone-tethered indoles","Green Chemistry","2025","27","4","1062","1072","10.1039/D4GC05876C","","x-ray","0.71073","MoKα","","0.0439","0.0369","","","0.0967","0.101","","","","","","1.095","","","","has coordinates","298961","2025-04-05","03:28:24",""
"7249699","13.1546","0.0003","12.9738","0.0003","21.2555","0.0005","90","","101.043","0.002","90","","3560.4","0.14","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 Cu I N2 P2 -","- C39 Cu I N2 P2 -","- C156 Cu4 I4 N8 P8 -","4","1","","Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming","Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission","CrystEngComm","2025","27","5","661","667","10.1039/D4CE00898G","","","0.71073","MoKα","","0.06","0.0421","","","0.0995","0.1068","","","","","","1.2909","","","","has coordinates","298186","2025-03-04","19:43:00",""
"7249700","13.6749","0.0005","12.6744","0.0005","21.4637","0.0008","90","","102.349","0.002","90","","3634","0.2","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Cu I N2 P2 -","- C40 H36 Cu I N2 P2 -","- C160 H144 Cu4 I4 N8 P8 -","4","1","","Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming","Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission","CrystEngComm","2025","27","5","661","667","10.1039/D4CE00898G","","","0.71073","MoKα","","0.0851","0.0426","","","0.0817","0.0961","","","","","","1.002","","","","has coordinates","298186","2025-03-04","19:43:00",""
"7249701","13.4509","0.0006","12.8405","0.0005","21.9611","0.0009","90","","103.322","0.002","90","","3691","0.3","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H34 Cu I N2 P2 -","- C40 H35 Cu I N2 P2 -","- C160 H140 Cu4 I4 N8 P8 -","4","1","","Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming","Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission","CrystEngComm","2025","27","5","661","667","10.1039/D4CE00898G","","","0.71073","MoKα","","0.0448","0.0333","","","0.0793","0.0845","","","","","","1.036","","","","has coordinates","298186","2025-03-04","19:43:00",""
"7249702","13.8302","0.0002","12.6013","0.0002","22.4188","0.0003","90","","105.428","0.001","90","","3766.32","0.1","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C41 H38 Cu I N2 P2 -","- C41 H38 Cu I N2 P2 -","- C164 H152 Cu4 I4 N8 P8 -","4","1","","Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming","Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission","CrystEngComm","2025","27","5","661","667","10.1039/D4CE00898G","","","0.71073","MoKα","","0.0371","0.0278","","","0.0672","0.0721","","","","","","1.021","","","","has coordinates","298186","2025-03-04","19:43:00",""
"7249703","13.6216","0.0006","17.3077","0.0007","18.5961","0.0008","81.85","0.002","77.726","0.002","73.94","0.002","4100.7","0.3","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H100 N4 O28 S4 -","- C78 H100 N4 O28 S4 -","- C156 H200 N8 O56 S8 -","2","1","","Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei","Tetraphenylethylene-based blue light-emitting organic salt crystals","CrystEngComm","2025","27","5","625","633","10.1039/D4CE01094A","","x-ray","1.54178","CuKα","","0.0802","0.0672","","","0.2231","0.2354","","","","","","1.023","","","","has coordinates","298184","2025-03-04","19:42:38",""
"7249704","14.5199","0.0005","18.0137","0.0006","20.551","0.0007","104.206","0.002","98.769","0.002","97.896","0.002","5063.5","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C79 H68 N4 O12 S4 -","- C79 H68 N4 O12 S4 -","- C158 H136 N8 O24 S8 -","2","1","","Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei","Tetraphenylethylene-based blue light-emitting organic salt crystals","CrystEngComm","2025","27","5","625","633","10.1039/D4CE01094A","","","1.54178","CuKα","","0.1182","0.0988","","","0.3047","0.3251","","","","","","1.119","","","","has coordinates","298184","2025-03-04","19:42:38",""
"7249705","12.6165","0.0005","19.6272","0.0008","21.927","0.001","82.317","0.003","78.76","0.002","86.655","0.002","5274.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C222 H198 N12 O36 S12 -","- C222 H198 N12 O36 S12 -","- C222 H198 N12 O36 S12 -","1","0.5","","Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei","Tetraphenylethylene-based blue light-emitting organic salt crystals","CrystEngComm","2025","27","5","625","633","10.1039/D4CE01094A","","","1.54178","CuKα","","0.2149","0.1727","","","0.4183","0.4484","","","","","","0.913","","","","has coordinates","298184","2025-03-04","19:42:38",""
"7249706","13.2402","0.0004","39.0334","0.0013","19.5745","0.0006","90","","106.403","0.003","90","","9704.6","0.5","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C88 H80 N4 O12 S4 -","- C88 H80 N4 O12 S4 -","- C352 H320 N16 O48 S16 -","4","1","","Hu, Huifen; Yan, Yukun; Yang, Chengling; Wang, Wei","Tetraphenylethylene-based blue light-emitting organic salt crystals","CrystEngComm","2025","27","5","625","633","10.1039/D4CE01094A","","x-ray","1.54184","CuKα","","0.247","0.2048","","","0.4046","0.424","","","","","","1.064","","","","has coordinates","298184","2025-03-04","19:42:38",""
"7249707","12.2627","0.0005","8.4254","0.0004","16.0986","0.0006","90","","101.59","0.001","90","","1629.36","0.12","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C68 H84 N4 O16 -","4","1","","Lu, Jia-Min; Mao, Yihui; Guo, Qihang; Zhong, Chengcheng; Gao, Xian-Ge; Fang, Qun; Lu, Zhan","Metal-free stereoselective intramolecular oxyamination of alkynes using a robotic and rapid photocatalytic synthesis and screening system","Green Chemistry","2025","27","3","560","565","10.1039/D4GC05100A","","","0.71073","MoKα","","0.0594","0.0456","","","0.0951","0.1046","","","","","","1.092","","","","has coordinates","298967","2025-04-05","03:29:38",""
"7249716","14.9219","0.0019","8.4923","0.0007","13.0852","0.0017","90","","118.145","0.017","90","","1462.1","0.4","298","","298","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H8 Fe N4 O10 -","- C12 H8 Fe N4 O10 -","- C48 H32 Fe4 N16 O40 -","4","0.5","","Liu, Jingwei; Cheng, Xiaolong; Dang, Shifa; Kong, Weile; Zheng, Mengxian; Zhang, Lei; Wu, Shuangyan; Liu, Ning; Cao, Jinchao","Exploration of a one-dimensional iron-based coordination polymer for enhanced lithium storage capabilities","CrystEngComm","2025","27","5","687","694","10.1039/D4CE01082E","","","0.71073","MoKα","","0.0707","0.0465","","","0.1151","0.1241","","","","","","1.025","","","","has coordinates","298185","2025-03-04","19:42:46",""
"7249717","12.247","0.001","3.044","0.0002","5.8136","0.0005","90","","103.866","0.004","90","","210.41","0.03","273","2","273","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Ga4 O6 Te0 -","- Ga4 O6 -","- Ga8 O12 -","2","0.25","","Song, Yufei; Guo, Xiaojie; Mu, Wenxiang; Tao, Xutang; Gao, Zeliang","Top-seeded solution growth and characterization of β-Ga2O3","CrystEngComm","2025","27","6","814","819","10.1039/D4CE00678J","","","0.71073","MoKα","","0.0282","0.0221","","","0.0513","0.0542","","","","","","1.042","","","","has coordinates","298202","2025-03-04","19:48:26",""
"7249718","13.234","0.007","13.892","0.007","16.543","0.009","109.362","0.007","96.339","0.007","102.534","0.007","2746","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C48 H39 Cl9 N6 O3 -","- C48 H39 Cl9 N6 O3 -","- C96 H78 Cl18 N12 O6 -","2","1","","Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun","Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes","CrystEngComm","2025","27","4","474","477","10.1039/D4CE01150C","","","0.71073","MoKα","","0.2085","0.0918","","","0.2449","0.3105","","","","","","0.984","","","","has coordinates","298189","2025-03-04","19:44:18",""
"7249719","9.02","0.02","9.39","0.02","10.71","0.03","84.17","0.03","67.13","0.03","66.09","0.03","762","3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 Br2 N2 O -","- C16 H14 Br2 N2 O -","- C32 H28 Br4 N4 O2 -","2","1","","Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun","Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes","CrystEngComm","2025","27","4","474","477","10.1039/D4CE01150C","","","0.71073","MoKα","","0.1132","0.0444","","","0.0802","0.0999","","","","","","0.879","","","","has coordinates","298189","2025-03-04","19:44:18",""
"7249720","33.696","0.007","10.737","0.002","17.724","0.004","90","","115.638","0.003","90","","5781","2","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H25 Cl3 N4 O2 -","- C31 H25 Cl3 N4 O2 -","- C248 H200 Cl24 N32 O16 -","8","1","","Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun","Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes","CrystEngComm","2025","27","4","474","477","10.1039/D4CE01150C","","","0.71073","MoKα","","0.1518","0.0592","","","0.1321","0.1697","","","","","","0.998","","","","has coordinates","298189","2025-03-04","19:44:18",""
"7249721","12.106","0.006","13.118","0.006","13.961","0.007","76.807","0.006","75.289","0.006","84.733","0.007","2086.5","1.8","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 Cl2 N6 O3 -","- C46 H38 Cl2 N6 O3 -","- C92 H76 Cl4 N12 O6 -","2","1","","Zeng, Fei; Tang, Lin-Li; Wang, Jian-Hao; Sun, Bin; Ding, Man-Hua; Li, Qin-Chun","Benzoimidazole-2-one based macrocyclic arenes: synthesis, and solvent-induced structural changes","CrystEngComm","2025","27","4","474","477","10.1039/D4CE01150C","","","0.71073","MoKα","","0.2213","0.127","","","0.3448","0.4085","","","","","","1.176","","","","has coordinates","298189","2025-03-04","19:44:18",""
"7249722","21.7201","0.0011","21.7201","0.0011","4.8629","0.0003","90","","90","","120","","1986.78","0.19","93","","93","","","","","","","","","4","P 32","P 32","145","","","","- C8 H12 Cl N -","- C8 H12 Cl N -","- C72 H108 Cl9 N9 -","9","3","","Tashiro, Shohei","Helical ammonium halide framework constituting polar conglomerate crystals of 2-ethylanilinium chloride","CrystEngComm","2025","27","6","729","735","10.1039/D4CE01084A","","x-ray","1.54184","CuKα","","0.0704","0.0526","","","0.1191","0.131","","","","","","0.979","","","","has coordinates","298203","2025-03-04","19:48:34",""
"7249723","13.768","0.0004","8.245","0.0002","13.9478","0.0004","90","","98.53","0.002","90","","1565.8","0.07","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","PropranololHCI","","","- C16 H22 Cl N O2 -","- C16 H22 Cl N O2 -","- C64 H88 Cl4 N4 O8 -","4","1","","Szeleszczuk, Łukasz; Bethanis, Kostas; Christoforides, Elias; Pisklak, Dariusz Maciej","Combining X-ray and NMR crystallography to explore the structural disorder in racemic propranolol hydrochloride","CrystEngComm","2025","27","3","433","446","10.1039/D4CE01105H","","","1.54178","CuKα","","0.0408","0.035","","","0.0835","0.0871","","","","","","1.061","","","","has coordinates,has disorder","298223","2025-03-04","19:53:50",""
"7249724","17.442","0.0003","11.311","0.0002","21.184","0.0004","90","","101.197","0.002","90","","4099.76","0.13","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C21 H20 N2 O6 S -","- C21 H20 N2 O6 S -","- C168 H160 N16 O48 S8 -","8","1","","Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming","Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions","Green Chemistry","2025","27","5","1499","1509","10.1039/D4GC05637J","","x-ray","1.54184","CuKα","","0.0525","0.0461","","","0.1262","0.1322","","","","","","1.059","","","","has coordinates","298959","2025-04-05","03:27:59",""
"7249729","21.4337","0.0018","10.5337","0.0009","12.9683","0.0012","90","","125.723","0.004","90","","2377","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","FluD-MSA(1:1)","","","- C8 H9 F3 N2 O5 S -","- C8 H9 F3 N2 O5 S -","- C64 H72 F24 N16 O40 S8 -","8","1","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0577","0.0359","","","0.0772","0.087","","","","","","1.03","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249730","7.4154","0.0004","7.5301","0.0004","13.6961","0.0007","90","","100.749","0.002","90","","751.35","0.07","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Flu.D-BSA(1:1)","","","- C13 H11 F3 N2 O5 S -","- C13 H11 F3 N2 O5 S -","- C26 H22 F6 N4 O10 S2 -","2","1","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0294","0.0278","","","0.0692","0.0701","","","","","","1.057","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249731","10.6002","0.0007","10.6466","0.0007","20.3303","0.0019","90","","90.12","","90","","2294.4","0.3","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","FluD-MSA(2:2)","","","- C8 H9 F3 N2 O5 S -","- C8 H9 F3 N2 O5 S -","- C64 H72 F24 N16 O40 S8 -","8","2","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0316","0.0314","","","0.0807","0.0808","","","","","","1.164","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249732","9.8176","0.0006","7.4895","0.0004","17.8098","0.001","90","","94.428","0.003","90","","1305.63","0.13","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","Flu.D-PTSA-H2O (1:2:3)","","","- C21 H27 F3 N2 O11 S2 -","- C21 H27 F3 N2 O11 S2 -","- C42 H54 F6 N4 O22 S4 -","2","1","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.1044","0.056","","","0.098","0.1147","","","","","","1.015","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249733","29.2994","0.0002","7.4757","0.0005","14.7336","0.001","90","","90","","90","","3227.2","0.3","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Flu.D-PTSA(2:2)","","","- C14 H13 F3 N2 O5 S -","- C14 H13 F3 N2 O5 S -","- C112 H104 F24 N16 O40 S8 -","8","2","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0429","0.0329","","","0.0679","0.0726","","","","","","1.017","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249734","27.3846","0.0004","7.4463","0.0008","14.8172","0.0017","90","","90","","90","","3021.4","0.5","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","Flu.D-BSA(2:2)","","","- C13 H11 F3 N2 O5 S -","- C13 H11 F3 N2 O5 S -","- C104 H88 F24 N16 O40 S8 -","8","2","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0457","0.0362","","","0.0774","0.0807","","","","","","1.059","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249735","12.9132","0.0014","10.6737","0.0011","18.342","0.002","90","","92.616","0.005","90","","2525.5","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Flu.D-ESA(2:2)","","","- C9 H11 F3 N2 O5 S -","- C9 H11 F3 N2 O5 S -","- C72 H88 F24 N16 O40 S8 -","8","2","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.0981","0.0438","","","0.098","0.1216","","","","","","1.014","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249736","7.4616","0.0017","21.345","0.004","27.575","0.006","94.444","0.005","93.278","0.006","94.635","0.006","4355.4","1.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Flu.D-BSA(6:6)","","","- C13 H11 F3 N2 O5 S -","- C13 H11 F3 N2 O5 S -","- C156 H132 F36 N24 O60 S12 -","12","6","","Prashanth, Jupally; Pisini, Krishna Prasad; Surampudi, Anuja Venkata Sai Durga; Nechipadappu, Sunil Kumar; Swain, Debasish; Balasubramanian, Sridhar","Flutamide degradation driven by sulfonic acids: unforeseen salts and salt polymorphs of a degraded flutamide impurity","CrystEngComm","2025","27","7","997","1015","10.1039/D4CE00979G","","","0.71073","MoKα","","0.096","0.0444","","","0.0943","0.1167","","","","","","1.019","","","","has coordinates","298210","2025-03-04","19:50:14",""
"7249737","28.2765","0.0006","17.2824","0.0003","27.3501","0.0004","90","","99.8503","0.0018","90","","13168.6","0.4","151","12","151","12","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H22 Cd2 F4 N6 O8 -","- C43 H20 Cd2 F4 N6 O8 -","- C344 H160 Cd16 F32 N48 O64 -","8","1","","Fang, Han; Han, Jia-Peng; Zhang, Bo; Liu, Deng-Bo; Li, Xing-Wang; Li, Jing-Yu; He, Yutong; Yu, Mei-Hui","A versatile luminescent metal–organic framework for selective detection of Fe(iii) cations and Cr(vi) anions","CrystEngComm","2025","27","8","1139","1145","10.1039/D4CE01107D","","x-ray","1.54184","CuKα","","0.0455","0.0427","","","0.1307","0.1326","","","","","","1.076","","","","has coordinates","298178","2025-03-04","19:40:20",""
"7249738","7.0976","0.0004","9.1098","0.0005","11.0003","0.0006","86.013","0.002","84.06","0.002","82.39","0.002","700.08","0.07","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","(BAPPz)Cd2Br8.2H2O","","- C5 H16 Br4 Cd N2 O -","- C5 H16 Br4 Cd N2 O -","- C10 H32 Br8 Cd2 N4 O2 -","2","1","","Lin, Na; Hu, Zhao-Yang; Zhang, Xin-Yue; Zhang, Yu; Sun, Kai-Qi; Lei, Xiao-Wu; Jing, Zhihong; Chen, Zhi-Wei","Zero-dimensional cadmium halide with broad band yellow light emission for white light-emitting diodes","CrystEngComm","2025","27","7","939","947","10.1039/D4CE01174K","","","0.71073","MoKα","","0.0347","0.0299","","","0.073","0.0751","","","","","","1.078","","","","has coordinates,has disorder","298208","2025-03-04","19:49:28",""
"7249740","6.8059","0.0003","9.5499","0.0004","22.0878","0.001","90","","90","","90","","1435.61","0.11","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 F3 N O2 -","- C15 H14 F3 N O2 -","- C60 H56 F12 N4 O8 -","4","1","","Liang, Hanyu; Cao, Jiaxuan; Zhang, Hailong; Huang, Longjie; Liu, Siqi; Wu, Tianhao; Xiao, Xiao; Zhao, Baoguo","Direct asymmetric α-C–H functionalization of N-unprotected allylamine catalyzed by chiral pyridoxal","Green Chemistry","2025","27","5","1374","1380","10.1039/D4GC05739B","","","1.54178","CuKα","","0.0443","0.0403","","","0.103","0.1078","","","","","","1.077","","","","has coordinates","298958","2025-04-05","03:27:43",""
"7249741","5.8722","0.0004","15.561","0.001","28.0723","0.0018","90","","90","","90","","2565.2","0.3","170","","170","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 Br F3 N O3 -","- C28 H27 Br F3 N O3 -","- C112 H108 Br4 F12 N4 O12 -","4","1","","Liang, Hanyu; Cao, Jiaxuan; Zhang, Hailong; Huang, Longjie; Liu, Siqi; Wu, Tianhao; Xiao, Xiao; Zhao, Baoguo","Direct asymmetric α-C–H functionalization of N-unprotected allylamine catalyzed by chiral pyridoxal","Green Chemistry","2025","27","5","1374","1380","10.1039/D4GC05739B","","","1.54178","CuKα","","0.057","0.0407","","","0.0806","0.0883","","","","","","1.061","","","","has coordinates","298958","2025-04-05","03:27:44",""
"7249742","9.7822","0.0007","10.6868","0.0008","11.0049","0.0008","84.42","0.003","63.871","0.003","87.806","0.003","1027.98","0.13","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H28 B N O4 S -","- C19 H28 B N O4 S -","- C38 H56 B2 N2 O8 S2 -","2","1","","Xiang, Panjie; Sun, Kai; Shi, Anzai; An, Jiangzhen; Chen, Xiaolan; Qu, Lingbo; Yu, Bing","Visible-light-induced 1,3-difunctionalization of allylboronic esters enabled by a 1,2-boron shift","Green Chemistry","2025","27","6","1820","1827","10.1039/D4GC06330A","","","0.71073","MoKα","","0.1045","0.0811","","","0.2334","0.2616","","","","","","1.0581","","","","has coordinates","298963","2025-04-05","03:28:42",""
"7249746","14.31","0.004","14.559","0.004","10.188","0.003","90","","103.215","0.007","90","","2066.4","1","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","1","","Zakharova, Daria V.; Aysin, Rinat R.; Pavlov, Alexander A.; Khanin, Dmirty A.; Platonova, Elena O.; Nelyubina, Yulia V.; Polezhaev, Alexander V.","Tandem Diels–Alder reaction overrules entropy: the gate to thermally stable, yet thermally recyclable furan-based polymers","Green Chemistry","2025","27","8","2263","2275","10.1039/D4GC04846F","","","0.71073","MoKα","","0.1401","0.0552","","","0.0879","0.1145","","","","","","0.972","","","","has coordinates","298957","2025-04-05","03:27:11",""
"7249747","9.8335","0.001","18.2519","0.0019","26.581","0.003","90","","90.016","0.003","90","","4770.8","0.9","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H54 N4 O11 S -","- C56 H54 N4 O11 S -","- C224 H216 N16 O44 S4 -","4","1","","Zakharova, Daria V.; Aysin, Rinat R.; Pavlov, Alexander A.; Khanin, Dmirty A.; Platonova, Elena O.; Nelyubina, Yulia V.; Polezhaev, Alexander V.","Tandem Diels–Alder reaction overrules entropy: the gate to thermally stable, yet thermally recyclable furan-based polymers","Green Chemistry","2025","27","8","2263","2275","10.1039/D4GC04846F","","","0.71073","MoKα","","0.0888","0.0481","","","0.0906","0.1068","","","","","","0.985","","","","has coordinates","298957","2025-04-05","03:27:18",""
"7249748","7.585","0.0005","7.9584","0.0004","10.8239","0.0006","100.883","0.002","93.12","0.002","118.456","0.002","556.16","0.06","170","","170","","","","","","","","","6","P -1","-P 1","2","","","","- C10 H11 F I N O2 -","- C10 H11 F I N O2 -","- C20 H22 F2 I2 N2 O4 -","2","1","","Zheng, Yongpeng; Wu, Yaodan; Li, Jianxiao; Wu, Wanqing; Yang, Shaorong; Qi, Chaorong; Jiang, Huanfeng","Palladium-catalyzed amination oxidation of electron-rich olefins in green media","Green Chemistry","2025","27","4","1018","1022","10.1039/D4GC05771F","","","0.71073","MoKα","","0.0198","0.018","","","0.0401","0.041","","","","","","1.069","","","","has coordinates","298960","2025-04-05","03:28:15",""
"7249749","10.7304","0.0009","11.1991","0.0009","12.3605","0.0008","93.057","0.006","96.405","0.006","99.535","0.007","1451.8","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Cl2 F3 N7 O4 -","- C26 H28 Cl2 F3 N7 O4 -","- C52 H56 Cl4 F6 N14 O8 -","2","1","","Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng","Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability","CrystEngComm","2025","27","6","820","832","10.1039/D4CE01111B","","x-ray","1.54184","CuKα","","0.0837","0.0669","","","0.182","0.2045","","","","","","1.0501","","","","has coordinates","298199","2025-03-04","19:47:51",""
"7249750","12.8844","0.0005","13.7991","0.0008","14.5572","0.0004","105.074","0.004","91.002","0.003","99.969","0.004","2456.06","0.19","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H17 Cl4 N6 O2 -","- C23 H18 Cl4 N6 O2 -","- C92 H72 Cl16 N24 O8 -","4","2","","Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng","Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability","CrystEngComm","2025","27","6","820","832","10.1039/D4CE01111B","","x-ray","1.54184","CuKα","","0.1084","0.0935","","","0.2357","0.2462","","","","","","1.049","","","","has coordinates,has disorder","298199","2025-03-04","19:47:51",""
"7249751","8.9451","0.0009","10.4421","0.0009","15.1087","0.0013","75.104","0.007","73.77","0.008","75.903","0.008","1286.8","0.2","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Cl2 N6 O3 -","- C26 H28 Cl2 N6 O3 -","- C52 H56 Cl4 N12 O6 -","2","1","","Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng","Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability","CrystEngComm","2025","27","6","820","832","10.1039/D4CE01111B","","x-ray","1.54184","CuKα","","0.0956","0.0745","","","0.2117","0.2345","","","","","","1.0663","","","","has coordinates","298199","2025-03-04","19:47:51",""
"7249752","9.2015","0.0009","11.6771","0.0007","14.8897","0.001","73.59","0.006","76.902","0.007","88.509","0.006","1493.5","0.2","149.9","0.2","149.9","0.2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 Cl2 F3 N6 O2 -","- C23 H17 Cl2 F3 N6 O2 -","- C46 H34 Cl4 F6 N12 O4 -","2","1","","Yu, Xinyi; Li, Jianting; Wu, Chenyu; Yang, Dezhi; Li, Liang; Lu, Yang; Zhou, Zhengzheng","Exploring the solubility of novel lamotrigine drug–drug salts: the role of pH and structural variability","CrystEngComm","2025","27","6","820","832","10.1039/D4CE01111B","","x-ray","0.71073","MoKα","","0.0878","0.072","","","0.1978","0.2132","","","","","","1.0409","","","","has coordinates,has disorder","298199","2025-03-04","19:47:51",""
"7249753","6.24","0.0012","10.62","0.002","12.07","0.002","86.29","0.03","82.15","0.03","83.83","0.03","786.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Indolizine","ethyl 3-benzoyl-7-methoxyindolizine-1-carboxylate","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C38 H34 N2 O8 -","2","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0428","0.0423","","","0.1142","0.1148","","","","","","1.03","","","","has coordinates","298869","2025-04-05","02:43:18",""
"7249754","9.93","0.002","7.67","0.0015","21.32","0.004","90","","92.52","0.03","90","","1622.2","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Indolizine","ethyl 7-methoxy-3-(4-methylbenzoyl)indolizine-1-carboxylate","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0361","0.0359","","","0.101","0.1012","","","","","","1.047","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249755","9.55","0.0019","11.38","0.002","11.47","0.002","95.07","0.03","112.65","0.03","113.02","0.03","1016","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Indolizine","diethyl 3-(4-chlorobenzoyl)-7-methoxyindolizine-1,2-dicarboxylate","","- C22 H20 Cl N O6 -","- C22 H20 Cl N O6 -","- C44 H40 Cl2 N2 O12 -","2","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0336","0.0335","","","0.0919","0.092","","","","","","1.031","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249756","7.31","0.0015","8.96","0.0018","15.57","0.003","95.17","0.03","101.92","0.03","104.05","0.03","957.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Indolizine","diethyl 3-benzoyl-7-methoxyindolizine-1,2-dicarboxylate","","- C22 H21 N O6 -","- C22 H21 N O6 -","- C44 H42 N2 O12 -","2","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0368","0.0385","","","0.0998","0.1005","","","","","","1","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249757","24.539","0.005","4.481","0.0009","16.013","0.003","90","","97.34","0.03","90","","1746.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Indolizine","ethyl 7-methoxy-2-methyl-3-(4-methylbenzoyl)indolizine-1-carboxylate","","- C21 H21 N O4 -","- C21 H21 N O4 -","- C84 H84 N4 O16 -","4","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0497","0.0429","","","0.1191","0.1259","","","","","","1.002","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249758","9.58","0.0019","11.38","0.002","11.39","0.002","95.15","0.03","113.08","0.03","112.31","0.03","1014.5","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Indolizine","diethyl 7-methoxy-3-(4-methylbenzoyl)indolizine-1,2-dicarboxylate","","- C23 H23 N O6 -","- C23 H23 N O6 -","- C46 H46 N2 O12 -","2","1","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0379","0.0374","","","0.1028","0.1033","","","","","","1.039","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249759","11.833","0.002","17.576","0.004","19.87","0.004","90","","100.91","0.03","90","","4057.8","1.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Indolizine","diethyl 7-methoxy-3-(4-nitrobenzoyl)indolizine-1,2-dicarboxylate","","- C22 H20 N2 O8 -","- C22 H20 N2 O8 -","- C176 H160 N16 O64 -","8","2","","Nagdeve, Rahul D.; Thakur, Jyoti Swarup; Chandrashekharappa, Sandeep; Mondal, Pradip Kumar; Deb, Pran Kishore; Polentarutti, Maurizio; Bairagi, Keshab M.; Rakshit, Gourav; Alwassil, Osama I.; Pillay, Melendhran; Venugopala, Katharigatta N.; Nayak, Susanta K.","Structural analysis, in vitro anti-tubercular activities, and in silico ADMET evaluation of ethyl 7-methoxy-3-(4-substituted benzoyl)indolizine-1-carboxylates","CrystEngComm","2025","27","12","1707","1721","10.1039/D4CE01018C","","","0.7","Synchrotron","","0.0628","0.047","","","0.1189","0.129","","","","","","1.037","","","","has coordinates","298869","2025-04-05","02:43:21",""
"7249760","12.6512","0.0005","16.6417","0.0006","27.8412","0.001","93.091","0.003","93.967","0.003","111.555","0.003","5418.7","0.4","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","3-Dy","","- C79 H47 Dy3 F54 N8 O22 -","- C79 H47 Dy3 F54 N8 O22 -","- C158 H94 Dy6 F108 N16 O44 -","2","1","","Zhou, Yan; Xie, Junfang; Huang, Xiaohui; Jin, Chaoyi; Ma, Yue; Li, Licun","Lanthanide–radical complexes derived from a nitronyl nitroxide ligand with chelating and bridging functions: structure and magnetic properties","CrystEngComm","2025","27","8","1120","1127","10.1039/D4CE01184H","","","0.71073","MoKα","","0.1011","0.086","","","0.2212","0.2318","","","","","","1.054","","","","has coordinates","298182","2025-03-04","19:41:33",""
"7249761","13.3629","0.0004","17.106","0.0005","20.6415","0.0006","83.05","0.003","85.811","0.003","78.097","0.003","4577.4","0.2","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","1-Gd","","- C64 H44 F36 Gd2 N8 O16 -","- C64 H44 F36 Gd2 N8 O16 -","- C128 H88 F72 Gd4 N16 O32 -","2","1","","Zhou, Yan; Xie, Junfang; Huang, Xiaohui; Jin, Chaoyi; Ma, Yue; Li, Licun","Lanthanide–radical complexes derived from a nitronyl nitroxide ligand with chelating and bridging functions: structure and magnetic properties","CrystEngComm","2025","27","8","1120","1127","10.1039/D4CE01184H","","","0.71073","MoKα","","0.0798","0.0506","","","0.1216","0.138","","","","","","1.037","","","","has coordinates","298182","2025-03-04","19:41:34",""
"7249762","13.3092","0.0005","17.089","0.0009","20.6746","0.0009","83.017","0.004","85.211","0.003","78.285","0.004","4561.8","0.4","113.15","","113.15","","","","","","","","","6","P -1","-P 1","2","","2-Nd","","- C64 H44 F36 N8 Nd2 O16 -","- C64 H44 F36 N8 Nd2 O16 -","- C128 H88 F72 N16 Nd4 O32 -","2","1","","Zhou, Yan; Xie, Junfang; Huang, Xiaohui; Jin, Chaoyi; Ma, Yue; Li, Licun","Lanthanide–radical complexes derived from a nitronyl nitroxide ligand with chelating and bridging functions: structure and magnetic properties","CrystEngComm","2025","27","8","1120","1127","10.1039/D4CE01184H","","x-ray","0.71073","MoKα","","0.1015","0.0844","","","0.2313","0.2495","","","","","","1.035","","","","has coordinates","298182","2025-03-04","19:41:34",""
"7249764","8.1663","0.0003","10.5584","0.0003","12.5335","0.0004","100.815","0.0012","91.1157","0.0013","111.431","0.0012","983.5","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H38 N2 O18 U2 -","- C38 H38 N2 O18 U2 -","- C38 H38 N2 O18 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0229","0.0202","","","0.0506","0.0522","","","","","","1.058","","","","has coordinates","298204","2025-03-04","19:48:45",""
"7249765","9.7403","0.0005","10.6942","0.0005","10.9139","0.0005","90","","96.3201","0.0019","90","","1129.93","0.09","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O14 U2 -","- C18 H16 N2 O14 U2 -","- C36 H32 N4 O28 U4 -","2","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0194","0.0191","","","0.0469","0.0472","","","","","","1.126","","","","has coordinates","298204","2025-03-04","19:48:46",""
"7249766","8.7832","0.0004","9.7665","0.0005","11.6623","0.0006","76.391","0.002","83.846","0.002","81.044","0.002","957.87","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H38 N2 O16 U2 -","- C34 H38 N2 O16 U2 -","- C34 H38 N2 O16 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0467","0.0457","","","0.1179","0.1185","","","","","","1.231","","","","has coordinates","298204","2025-03-04","19:48:46",""
"7249767","11.235","0.0004","13.3313","0.0005","14.3587","0.0005","90","","109.338","0.0016","90","","2029.27","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H36 N2 O17 U2 -","- C38 H36 N2 O17 U2 -","- C76 H72 N4 O34 U4 -","2","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0323","0.0321","","","0.0745","0.0746","","","","","","1.349","","","","has coordinates,has disorder","298204","2025-03-04","19:48:46",""
"7249768","8.4515","0.0003","10.5811","0.0004","10.585","0.0003","75.8824","0.0011","72.1083","0.0012","75.7896","0.0014","858.55","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H30 N2 O20 U2 -","- C32 H30 N2 O20 U2 -","- C32 H30 N2 O20 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0219","0.0206","","","0.051","0.0521","","","","","","1.114","","","","has coordinates,has disorder","298204","2025-03-04","19:48:46",""
"7249769","8.8565","0.0002","9.0719","0.0003","11.6001","0.0003","73.5981","0.0009","86.2684","0.0009","68.7753","0.0009","832.72","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H34 N2 O16 U2 -","- C32 H34 N2 O16 U2 -","- C32 H34 N2 O16 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.02","0.0175","","","0.0419","0.0426","","","","","","1.118","","","","has coordinates","298204","2025-03-04","19:48:46",""
"7249770","8.3083","0.0003","9.7524","0.0003","13.3763","0.0005","99.2243","0.0017","100.684","0.0018","108.614","0.0016","980.89","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H32 N4 O18 U2 -","- C36 H32 N4 O18 U2 -","- C36 H32 N4 O18 U2 -","1","0.5","","Lee, Young Hoon; Atoini, Youssef; Kusumoto, Sotaro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Mixed-ligand uranyl ion complexes with two flexible, pyridinium-based dicarboxylate zwitterions and simple anionic dicarboxylates","CrystEngComm","2025","27","7","1034","1043","10.1039/D4CE01270D","","","0.71073","MoKα","","0.0234","0.0223","","","0.0565","0.0574","","","","","","1.118","","","","has coordinates","298204","2025-03-04","19:48:46",""
"7249774","14.1331","0.0001","8.8013","0.0001","21.0334","0.0001","90","","105.146","0.0006","90","","2525.45","0.04","95","","95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Br F N3 O5 -","- C28 H25 Br F N3 O5 -","- C112 H100 Br4 F4 N12 O20 -","4","1","","Ramesh, Sreela; Zmeškalová, Eliška; Kučeráková, Monika; Zvoníček, Vít; Šoóš, Miroslav","Salt formation of cabozantinib with hydrochloric and hydrobromic acids – influence on the in vitro dissolution behavior and food effect","CrystEngComm","2025","27","7","1026","1033","10.1039/D4CE01278J","","","1.54184","CuKα","","0.0344","0.0342","","0.09","0.0899","0.09","","","","","","1.0322","","","","has coordinates","298205","2025-03-04","19:49:04",""
"7249775","8.4541","0.0001","18.1835","0.0004","41.4054","0.0006","90","","90","","90","","6365.05","0.18","140","","140","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C35 H29 F N4 O8 S -","- C35 H29 F N4 O8 S -","- C280 H232 F8 N32 O64 S8 -","8","1","","Ramesh, Sreela; Zmeškalová, Eliška; Kučeráková, Monika; Zvoníček, Vít; Šoóš, Miroslav","Salt formation of cabozantinib with hydrochloric and hydrobromic acids – influence on the in vitro dissolution behavior and food effect","CrystEngComm","2025","27","7","1026","1033","10.1039/D4CE01278J","","","1.54184","CuKα","","0.0431","0.0376","","0.0985","0.0945","0.0985","","","","","","1.0167","","","","has coordinates","298205","2025-03-04","19:49:04",""
"7249776","8.2418","0.0002","15.0392","0.0003","19.989","0.0004","90","","91.61","0.0018","90","","2476.66","0.09","95","0.2","95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl F N3 O5 -","- C28 H25 Cl F N3 O5 -","- C112 H100 Cl4 F4 N12 O20 -","4","1","","Ramesh, Sreela; Zmeškalová, Eliška; Kučeráková, Monika; Zvoníček, Vít; Šoóš, Miroslav","Salt formation of cabozantinib with hydrochloric and hydrobromic acids – influence on the in vitro dissolution behavior and food effect","CrystEngComm","2025","27","7","1026","1033","10.1039/D4CE01278J","","x-ray","1.54184","CuKα","","0.0376","0.033","","","0.0923","0.0951","","","","1.7055","1.7055","1.6408","","","","has coordinates","298205","2025-03-04","19:49:04",""
"7249777","15.3531","0.0004","11.7391","0.0003","18.1384","0.0005","90","","109.297","0.001","90","","3085.45","0.14","100","2","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- H16 Mn4 Na8 O68 W12 -","- H16 Mn4 Na8 O68 W12 -","- H32 Mn8 Na16 O136 W24 -","2","0.5","","Gong, Lige; Wang, Meijia; Wang, Jihua; Dong, Limin; Gu, Yunhao; Yang, Binghe; Li, Hui","Three-dimensional 14-core manganese-sodium-based polyoxometalate with unique channels as bifunctional electrocatalysts for overall water splitting","CrystEngComm","2025","27","7","974","988","10.1039/D4CE00945B","","","0.71073","MoKα","","0.0536","0.0474","","","0.1268","0.1317","","","","","","1.056","","","","has coordinates","298206","2025-03-04","19:49:14",""
"7249778","13.7848","0.0005","20.9048","0.0007","26.7438","0.0009","90","","97.288","0.001","90","","7644.5","0.5","100","2","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C0.02 H0.02 Cu N0.02 O W -","- C4.09756 H6.43902 Cu0.0174634 N1.17073 O4.19512 W1.17073 -","- C168 H264 Cu0.716 N48 O172 W48 -","41","10.25","","Gong, Lige; Wang, Meijia; Wang, Jihua; Dong, Limin; Gu, Yunhao; Yang, Binghe; Li, Hui","Three-dimensional 14-core manganese-sodium-based polyoxometalate with unique channels as bifunctional electrocatalysts for overall water splitting","CrystEngComm","2025","27","7","974","988","10.1039/D4CE00945B","","","0.71073","MoKα","","0.0816","0.0651","","","0.1874","0.2059","","","","","","1.048","","","","has coordinates","298206","2025-03-04","19:49:14",""
"7249779","7.0255","0.0008","13.8315","0.0014","14.2849","0.0015","90","","99.029","0.011","90","","1370.9","0.3","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C12 H12 Cl Cu N2 O6 -","- C12 H12 Cl Cu N2 O6 -","- C48 H48 Cl4 Cu4 N8 O24 -","4","0.5","","Atta, Sawaira; Siddique, Amna; Qasim, Muhammad Naveed; AlDamen, Murad A.; Sheikh, Tahir Ali; Sadullayevich, Normamatov Adkhamjon; Ibragimov, Aziz B.; Akhtar, Muhammad Nadeem","Perchlorate-supported Cu(ii)-based 1D polymeric chains containing 1,10-phenanthroline: synthesis, characterization and adsorption of organic dyes and heavy metal ions","CrystEngComm","2025","27","9","1346","1362","10.1039/D4CE01126K","","x-ray","1.54184","CuKα","","0.067","0.0607","","","0.1693","0.1791","","","","","","1.137","","","","has coordinates","298213","2025-03-04","19:50:56",""
"7249780","6.5124","0.0003","6.7635","0.0002","13.9013","0.0005","81.841","0.003","81.532","0.003","63.93","0.004","541.95","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N8 S6 -","- C18 H14 N8 S6 -","- C18 H14 N8 S6 -","1","0.5","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin","The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals","CrystEngComm","2025","27","6","784","794","10.1039/D4CE01153H","","x-ray","1.54184","CuKα","","0.0225","0.0214","","","0.0559","0.0564","","","","","","1.057","","","","has coordinates","298200","2025-03-04","19:48:04",""
"7249781","8.0157","0.0001","8.5707","0.0001","11.0442","0.0001","110.316","0.001","106.348","0.001","95.818","0.001","665.851","0.015","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N6 S4 -","- C8 H8 N6 S4 -","- C16 H16 N12 S8 -","2","1","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin","The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals","CrystEngComm","2025","27","6","784","794","10.1039/D4CE01153H","","x-ray","1.54184","CuKα","","0.0336","0.0302","","","0.0855","0.0886","","","","","","1.051","","","","has coordinates","298200","2025-03-04","19:48:05",""
"7249782","4.4955","0.0001","16.5288","0.0003","14.9573","0.0003","90","","96.579","0.002","90","","1104.09","0.04","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N5 O S3 -","- C7 H7 N5 O S3 -","- C28 H28 N20 O4 S12 -","4","1","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin","The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals","CrystEngComm","2025","27","6","784","794","10.1039/D4CE01153H","","x-ray","0.71073","MoKα","","0.0313","0.0254","","","0.0629","0.0646","","","","","","1.108","","","","has coordinates","298200","2025-03-04","19:48:05",""
"7249783","19.96872","0.00014","5.45162","0.00003","23.70011","0.00017","90","","111.753","0.0008","90","","2396.31","0.03","293","2","293","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 N10 S8 -","- C14 H12 N10 S8 -","- C56 H48 N40 S32 -","4","0.5","","Wzgarda-Raj, Kinga; Rybarczyk-Pirek, Agnieszka J.; Palusiak, Marcin","The N–H⋯S hydrogen bonding pattern in trithiocyanuric acid in crystalline state: geometric, topological, and energetic analysis of trithiocyanuric acid cocrystals","CrystEngComm","2025","27","6","784","794","10.1039/D4CE01153H","","x-ray","1.54184","CuKα","","0.0238","0.0226","","","0.062","0.0628","","","","","","1.071","","","","has coordinates","298200","2025-03-04","19:48:05",""
"7249787","13.86","0.004","4.3787","0.0012","35.14","0.009","90","","93.77","0.004","90","","2128","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Pb-btdb","","","- C23 H17 N3 O5 Pb S -","- C23 H17 N3 O5 Pb S -","- C92 H68 N12 O20 Pb4 S4 -","4","1","","Zhang, Hangchuan; Guo, Jingpeng; Liu, Lin; Yu, Zhan; Wei, Na","Thiadiazole-functionalized Pb(ii)-MOF for “turn-on” fluorescence selective sensing of Al3+","CrystEngComm","2025","27","7","956","963","10.1039/D4CE01233J","","","0.71073","MoKα","","0.0466","0.0316","","","0.0616","0.0658","","","","","","1.029","","","","has coordinates","298207","2025-03-04","19:49:21",""
"7249802","8.705","0.0002","10.4508","0.0003","12.106","0.0003","107.888","0.001","103.691","0.001","104.046","0.001","957.24","0.04","300","2","300","","","","","","","","","6","P -1","-P 1","2","","","","- C9 H13 In2 N3 O14.5 P2 -","- C9 H13 In2 N3 O14.5 P2 -","- C18 H26 In4 N6 O29 P4 -","2","1","","Wen, Xuemei; Li, Ying; Zhao, Yan; Li, Jing; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Histidine-directed synthesis and optical properties of two indium phosphite–oxalates with three-dimensional structures","CrystEngComm","2025","27","7","903","907","10.1039/D4CE01135J","","x-ray","0.71073","MoKα","","0.0316","0.0226","","","0.0482","0.0508","","","","","","1.058","","","","has coordinates","298209","2025-03-04","19:49:38",""
"7249803","8.397","0.0002","23.4886","0.0008","9.9675","0.0003","90","","108.292","0.001","90","","1866.59","0.1","300","","300","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H28 In4 N6 O30 P6 -","- C16 H28 In4 N6 O30 P6 -","- C32 H56 In8 N12 O60 P12 -","2","1","","Wen, Xuemei; Li, Ying; Zhao, Yan; Li, Jing; Zeng, Hongmei; Zou, Guohong; Lin, Zhien","Histidine-directed synthesis and optical properties of two indium phosphite–oxalates with three-dimensional structures","CrystEngComm","2025","27","7","903","907","10.1039/D4CE01135J","","","0.71073","MoKα","","0.0416","0.0321","","","0.0695","0.0732","","","","","","1.052","","","","has coordinates","298209","2025-03-04","19:49:38",""
"7249804","21.6779","0.0008","21.6779","0.0008","12.6682","0.0005","90","","90","","120","","5155.6","0.3","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 H14 Mn2 N8 O4 -","- C18 H14 Mn2 N8 O4 -","- C162 H126 Mn18 N72 O36 -","9","0.5","","Liu, Han-Fu; Hu, Zhi-Rong; Wu, Tai-Xue; Hao, Hong-Mei; Li, Hai-Ye; Huang, Fu-Ping","A 3D rigid Mn-MOF heterogeneous catalyst for thioether oxidation, cyanosilylation and Knoevenagel condensation","CrystEngComm","2025","27","9","1307","1314","10.1039/D4CE01075B","","x-ray","0.71073","MoKα","","0.0769","0.0502","","","0.1178","0.1325","","","","","","1.064","","","","has coordinates","298214","2025-03-04","19:51:07",""
"7249805","8.9753","0.0002","10.8907","0.0002","20.9485","0.0004","85.702","0.002","80.124","0.002","85.417","0.002","2006.95","0.07","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 Cl4 Fe N6 O9 -","- C42 H26 Cl3.989 Fe N6 O9 -","- C84 H52 Cl7.978 Fe2 N12 O18 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0673","0.0524","","","0.1346","0.1418","","","","","","1.096","","","","has coordinates,has disorder","298212","2025-03-04","19:50:40",""
"7249806","8.9669","0.0002","10.9875","0.0002","20.9096","0.0004","85.627","0.001","80.052","0.002","85.213","0.002","2018.03","0.07","292.6","0.3","292.6","0.3","","","","","","","","6","P -1","-P 1","2","","[Co(C15N3H11)2](C6O4H2Cl2)0.5(C6O4HCl2)(C6O4Cl2)0.5(H2O)","","- C42 H26 Cl4 Co N6 O9 -","- C42 H26 Cl4 Co N6 O9 -","- C84 H52 Cl8 Co2 N12 O18 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0715","0.0516","","","0.1255","0.1346","","","","","","1.032","","","","has coordinates","298212","2025-03-04","19:50:40",""
"7249807","9.0426","0.0002","9.0675","0.0003","22.4477","0.0006","92.511","0.002","96.2","0.002","90.655","0.002","1827.81","0.09","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Cl1.99 N6 Ni O10.01 -","- C36 H34 Cl1.985 N6 Ni O10 -","- C72 H68 Cl3.97 N12 Ni2 O20 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0847","0.0546","","","0.1088","0.1185","","","","","","1.046","","","","has coordinates,has disorder","298212","2025-03-04","19:50:40",""
"7249808","8.9581","0.0003","11.035","0.0003","20.9833","0.0005","85.086","0.002","80.136","0.002","85.18","0.002","2030.99","0.1","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H26 Cl4 N6 Ni O9 -","- C42 H26 Cl4 N6 Ni O9 -","- C84 H52 Cl8 N12 Ni2 O18 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0557","0.0432","","","0.1013","0.1071","","","","","","1.017","","","","has coordinates","298212","2025-03-04","19:50:40",""
"7249809","9.018","0.0002","9.0232","0.0001","22.2494","0.0003","91.685","0.001","95.684","0.001","90.432","0.002","1800.68","0.05","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Cl2 Fe N6 O10 -","- C36 H34 Cl2 Fe N6 O10 -","- C72 H68 Cl4 Fe2 N12 O20 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0731","0.046","","","0.0945","0.1025","","","","","","1.019","","","","has coordinates","298212","2025-03-04","19:50:40",""
"7249810","9.03554","0.00012","9.0471","0.00013","22.3304","0.0003","92.077","0.0012","95.9851","0.0011","90.5673","0.0011","1814.09","0.04","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H34 Cl2 Co N6 O10 -","- C36 H34 Cl2 Co N6 O10 -","- C72 H68 Cl4 Co2 N12 O20 -","2","1","","Mishima, Akio; Mori, Runa; Kanazashi, Ken; Hamaguchi, Tomohiko; Ishikawa, Ryuta; Kawata, Satoshi","Structural analysis and water adsorption properties of chloranilate anion–terpyridine metal complexes forming hydrogen-bonded frameworks","CrystEngComm","2025","27","7","931","938","10.1039/D4CE01214C","","x-ray","0.71073","MoKα","","0.0598","0.0421","","","0.0872","0.0929","","","","","","1.031","","","","has coordinates","298212","2025-03-04","19:50:40",""
"7249811","7.8217","0.0003","28.8712","0.001","10.016","0.0003","90","","109.4","0.001","90","","2133.41","0.13","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 N2 O2 -","- C26 H26 N2 O2 -","- C104 H104 N8 O8 -","4","1","","Zhu, Yu; Lv, Xueli; Hong, Jun; Wu, Shengxing; Li, Zhi; Wang, Minyan; Jiang, Xinpeng","Amine-promoted three-component cycloaddition of bicyclo[1.1.0]butanes with hydroxylamine and polyformaldehyde: expedient access to 2-oxa-3-azabicyclo[3.1.1]heptanes","Green Chemistry","2025","27","9","2464","2470","10.1039/D4GC05355A","","","0.71073","MoKα","","0.0602","0.0458","","","0.1005","0.1108","","","","","","1.061","","","","has coordinates,has disorder","298965","2025-04-05","03:29:19",""
"7249812","11.2419","0.0004","12.3869","0.0005","13.4125","0.0006","90","","90","","90","","1867.72","0.13","170","","170","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H24 N2 O3 -","- C22 H24 N2 O3 -","- C88 H96 N8 O12 -","4","1","","Zhu, Yu; Lv, Xueli; Hong, Jun; Wu, Shengxing; Li, Zhi; Wang, Minyan; Jiang, Xinpeng","Amine-promoted three-component cycloaddition of bicyclo[1.1.0]butanes with hydroxylamine and polyformaldehyde: expedient access to 2-oxa-3-azabicyclo[3.1.1]heptanes","Green Chemistry","2025","27","9","2464","2470","10.1039/D4GC05355A","","","1.34139","GaKα","","0.033","0.0305","","","0.0776","0.079","","","","","","1.064","","","","has coordinates,has disorder","298965","2025-04-05","03:29:19",""
"7249819","11.2667","0.0005","9.0284","0.0004","9.272","0.0004","90","","107.83","0.002","90","","897.85","0.07","299","2","299","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 O4 Zn -","- C9 H8 O4 Zn -","- C36 H32 O16 Zn4 -","4","1","","Alghamdi, Ahmed Mohammed A.; Cholikadam, Shakeeba; Fettouhi, Mohammed; Kalanthoden, Abdul Nasar; Jalilov, Almaz S.; Peedikakkal, Abdul Malik P.","Blue- and white-light emitting 2D metal–organic frameworks of cis-5-norbornene-endo-2,3-dicarboxylic acid","CrystEngComm","2025","27","7","913","920","10.1039/D4CE00985A","","","0.71073","MoKα","","0.0561","0.0443","","","0.1235","0.1313","","","","","","0.935","","","","has coordinates","298211","2025-03-04","19:50:26",""
"7249820","8.7725","0.0006","23.311","0.002","8.6198","0.0006","90","","90","","90","","1762.7","0.2","299","2","299","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C9 H8 O4 Pb -","- C9 H8 O4 Pb -","- C72 H64 O32 Pb8 -","8","1","","Alghamdi, Ahmed Mohammed A.; Cholikadam, Shakeeba; Fettouhi, Mohammed; Kalanthoden, Abdul Nasar; Jalilov, Almaz S.; Peedikakkal, Abdul Malik P.","Blue- and white-light emitting 2D metal–organic frameworks of cis-5-norbornene-endo-2,3-dicarboxylic acid","CrystEngComm","2025","27","7","913","920","10.1039/D4CE00985A","","","0.71073","MoKα","","0.0452","0.031","","","0.0715","0.0768","","","","","","0.942","","","","has coordinates","298211","2025-03-04","19:50:26",""
"7249826","9.4465","0.0003","10.7769","0.0003","15.2702","0.0004","106.856","0.002","93.852","0.002","96.451","0.002","1470.2","0.08","169.99","0.1","170.15","","","","","","","","","7","P -1","-P 1","2","","","","- C8 H72 Co4 Mo8 N16 Na2 O55 -","- C8 H72 Co4 Mo8 N16 Na2 O55 -","- C8 H72 Co4 Mo8 N16 Na2 O55 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0368","0.034","","","0.0918","0.0934","","","","","","1.043","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249827","7.916","0.0002","12.5833","0.0003","15.4115","0.0003","108.216","0.002","94.54","0.002","103.045","0.002","1401.85","0.06","169.99","0.1","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H66 Co4 Mo8 N16 O51 -","- C8 H48 Co4 Mo8 N16 O51 -","- C8 H48 Co4 Mo8 N16 O51 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0568","0.051","","","0.1372","0.1429","","","","","","1.078","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249828","8.4824","0.0002","13.3673","0.0002","14.0305","0.0002","84.26","0.001","73.105","0.002","71.519","0.002","1443.65","0.05","169.98","0.1","169.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C12 H62 Co4 Mo8 N16 O50 -","- C12 H62 Co4 Mo8 N16 O50 -","- C12 H62 Co4 Mo8 N16 O50 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","x-ray","1.54184","CuKα","","0.0328","0.0316","","","0.0902","0.0909","","","","","","1.075","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249829","27.0622","0.0003","7.3624","0.0001","33.9652","0.0004","90","","92.844","0.001","90","","6758.98","0.14","169.98","0.1","170.15","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C8 H34 Co2 Mo4 N8 O27 -","- C8 H28 Co2 Mo4 N8 O27 -","- C64 H224 Co16 Mo32 N64 O216 -","8","1","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0582","0.0468","","","0.122","0.1295","","","","","","1.038","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249830","9.9976","0.0001","20.6814","0.0003","13.4605","0.0002","90","","95.055","0.001","90","","2772.33","0.06","100.01","0.1","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H64 Co4 Mo8 N16 O50 -","- C8 H64 Co4 Mo8 N16 O50 -","- C16 H128 Co8 Mo16 N32 O100 -","2","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0575","0.0539","","","0.151","0.1542","","","","","","1.056","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249831","11.5178","0.0003","12.416","0.0003","12.619","0.0002","89.529","0.002","65.036","0.002","70.299","0.002","1521.1","0.07","169.98","0.1","170.15","","","","","","","","","6","P -1","-P 1","2","","","","- C8 H76 Co4 Mo8 N16 O56 -","- C8 H52 Co4 Mo8 N16 O56 -","- C8 H52 Co4 Mo8 N16 O56 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","","1.54184","CuKα","","0.0382","0.036","","","0.0951","0.0967","","","","","","1.031","","","","has coordinates,has disorder","298180","2025-03-04","19:40:55",""
"7249832","11.7837","0.0003","12.5652","0.0002","20.6823","0.0004","91.864","0.001","101.574","0.002","99.735","0.002","2949.84","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H124 Co8 Mo16 N32 O98 -","- C16 H100 Co8 Mo16 N32 O97.9998 -","- C16 H100 Co8 Mo16 N32 O97.9998 -","1","0.5","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","x-ray","1.54184","CuKα","","0.0598","0.0541","","","0.1481","0.1527","","","","","","1.03","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249833","12.1225","0.0002","13.4878","0.0002","14.4274","0.0002","92.943","0.001","97.909","0.001","91.012","0.001","2332.71","0.06","169.99","0.1","169.99","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C6 H24 Co Mo2 N6 Na3 O45 V7 -","- C6 H24 Co Mo2 N6 Na3 O45 V7 -","- C12 H48 Co2 Mo4 N12 Na6 O90 V14 -","2","1","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","x-ray","1.54184","CuKα","","0.0792","0.0751","","","0.217","0.2225","","","","","","1.058","","","","has coordinates","298180","2025-03-04","19:40:55",""
"7249834","13.2251","0.0003","15.9667","0.0003","16.2567","0.0005","86.364","0.002","81.442","0.002","88.936","0.002","3387.58","0.15","170","0.11","170","0.11","","","","","","","","8","P -1","-P 1","2","","","","- C6 H42 Co3 Mo8 N12 Na2 O61.52 V5 -","- C6 H42 Co3 Mo8 N12 Na2 O61.52 V5 -","- C12 H84 Co6 Mo16 N24 Na4 O123.04 V10 -","2","1","","Kuzman, D.; Damjanović, V.; Cindrić, M.; Vrdoljak, V.","Aqueous solution as a playground of {MoO4}, {Mo4O12}, {Mo8O26}, {Mo8V5O40} and {V7Mo2O27} species in the presence of carboxylic acids and [Co(C2O4)(NH3)4]+ or [Co(en)3]3+ cations","CrystEngComm","2025","27","8","1128","1138","10.1039/D4CE01187B","","x-ray","1.54184","CuKα","","0.1045","0.0951","","","0.2536","0.2638","","","","","","1.048","","","","has coordinates,has disorder","298180","2025-03-04","19:40:56",""
"7249835","8.115","0.0008","9.1085","0.0009","14.5497","0.0014","74.156","0.003","88.19","0.003","72.032","0.003","982.5","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C5 H5 N O2 -","- C5 H5 N O2 -","- C40 H40 N8 O16 -","8","4","","Qi, Ying; Liu, Yang; Li, Xia; Xu, Juan; Zhang, Qi","Innovative aminoglutethimide co-crystals: synthesis, characterization, and insights into molecular interactions","CrystEngComm","2025","27","8","1146","1156","10.1039/D4CE01171F","","","0.71073","MoKα","","0.0837","0.0647","","","0.1826","0.1951","","","","","","1.042","","","","has coordinates","298179","2025-03-04","19:40:34",""
"7249836","7.1215","0.0006","13.7391","0.0012","21.469","0.0019","76.347","0.003","85.043","0.003","87.487","0.003","2033","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H42 N6 O12 -","- C40 H42 N6 O12 -","- C80 H84 N12 O24 -","2","1","","Qi, Ying; Liu, Yang; Li, Xia; Xu, Juan; Zhang, Qi","Innovative aminoglutethimide co-crystals: synthesis, characterization, and insights into molecular interactions","CrystEngComm","2025","27","8","1146","1156","10.1039/D4CE01171F","","","0.71073","MoKα","","0.0964","0.0847","","","0.2458","0.2587","","","","","","1.054","","","","has coordinates","298179","2025-03-04","19:40:34",""
"7249837","16.904","0.005","6.4769","0.0017","17.825","0.005","90","","101.367","0.008","90","","1913.3","0.9","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N2 O4 -","- C21 H24 N2 O4 -","- C84 H96 N8 O16 -","4","1","","Qi, Ying; Liu, Yang; Li, Xia; Xu, Juan; Zhang, Qi","Innovative aminoglutethimide co-crystals: synthesis, characterization, and insights into molecular interactions","CrystEngComm","2025","27","8","1146","1156","10.1039/D4CE01171F","","","0.71073","MoKα","","0.1333","0.0835","","","0.2188","0.2499","","","","","","1.07","","","","has coordinates","298179","2025-03-04","19:40:34",""
"7249838","12.1844","0.0003","15.7973","0.0005","18.7868","0.0008","67.618","0.003","81.84","0.003","83.948","0.002","3304.6","0.2","150","2","150.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C36 H31 N Ni O P2 S2 -","- C36 H31 N Ni O P2 S2 -","- C144 H124 N4 Ni4 O4 P8 S8 -","4","2","","Srivastava, Devyani; Kushwaha, Aparna; Chauhan, Ratna; Gosavi, Suresh W.; Ahmed, Sarfaraz; Kociok-Köhn, Gabriele; Kumar, Abhinav","Unravelling the role of –OCH3 positional isomerism and dihedral angle in Ni(ii)-dppe dithiolates for enhanced heterogeneous electrocatalytic oxygen evolution reaction (OER)","CrystEngComm","2025","27","10","1460","1473","10.1039/D4CE01268B","","x-ray","1.54184","CuKα","","0.0479","0.0385","","","0.096","0.1017","","","","","","1.032","","","","has coordinates","298228","2025-03-04","19:56:19",""
"7249839","14.8719","0.0004","15.3304","0.0004","16.0822","0.0006","77.953","0.002","82.524","0.003","75.348","0.002","3457.65","0.19","150","2","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C36.3 H31.6 Cl0.6 N Ni O P2 S2 -","- C36.3 H31.6 Cl0.6 N Ni O P2 S2 -","- C145.2 H126.4 Cl2.4 N4 Ni4 O4 P8 S8 -","4","2","","Srivastava, Devyani; Kushwaha, Aparna; Chauhan, Ratna; Gosavi, Suresh W.; Ahmed, Sarfaraz; Kociok-Köhn, Gabriele; Kumar, Abhinav","Unravelling the role of –OCH3 positional isomerism and dihedral angle in Ni(ii)-dppe dithiolates for enhanced heterogeneous electrocatalytic oxygen evolution reaction (OER)","CrystEngComm","2025","27","10","1460","1473","10.1039/D4CE01268B","","x-ray","1.54184","CuKα","","0.0621","0.0505","","","0.1331","0.1425","","","","","","1.059","","","","has coordinates,has disorder","298228","2025-03-04","19:56:20",""
"7249840","15.187","0.0004","15.6264","0.0006","15.9554","0.0005","76.974","0.003","89.738","0.002","81.37","0.003","3645.6","0.2","150","2","150.01","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C37 H32 Cl3 N Ni O P2 S2 -","- C37 H32 Cl3 N Ni O P2 S2 -","- C148 H128 Cl12 N4 Ni4 O4 P8 S8 -","4","2","","Srivastava, Devyani; Kushwaha, Aparna; Chauhan, Ratna; Gosavi, Suresh W.; Ahmed, Sarfaraz; Kociok-Köhn, Gabriele; Kumar, Abhinav","Unravelling the role of –OCH3 positional isomerism and dihedral angle in Ni(ii)-dppe dithiolates for enhanced heterogeneous electrocatalytic oxygen evolution reaction (OER)","CrystEngComm","2025","27","10","1460","1473","10.1039/D4CE01268B","","x-ray","1.54184","CuKα","","0.0677","0.0547","","","0.1387","0.1474","","","","","","1.053","","","","has coordinates,has disorder","298228","2025-03-04","19:56:21",""
"7249841","23.119","0.002","15.1711","0.0012","16.9715","0.0015","90","","90","","90","","5952.6","0.9","296.15","","296.15","","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C24 H16 Cu2 I3 N4 S4 -","- C24 H16 Cu2 I3 N4 S4 -","- C192 H128 Cu16 I24 N32 S32 -","8","1","","Li, Huifang; Gao, Yiqun; Lin, Xi; Li, Ke; Lin, Xiaoli; Li, Haohong; Zheng, Huidong","Ternary resistive switching memory of copper–organic complex/iodocuprate/sulfur hybrid enabled by π–π interactions and S8 relaxation","CrystEngComm","2025","27","10","1439","1445","10.1039/D4CE01147C","","","0.71073","MoKα","","0.0681","0.0443","","","0.1565","0.198","","","","","","0.677","","","","has coordinates","298229","2025-03-04","19:56:34",""
"7249842","12.0459","0.0009","16.7225","0.0013","20.5508","0.0015","111.534","0.002","91.936","0.002","102.731","0.002","3726","0.5","192.8","","192.8","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H47 Cu F30 Gd N8 O16 -","- C59 H47 Cu F30 Gd N8 O16 -","- C118 H94 Cu2 F60 Gd2 N16 O32 -","2","1","","Chu, Jiamin; Liu, Yi; Li, Jing; Zhu, Mei","Structure, magnetic properties and fluorescence selectivity of 1D chain complexes based on the pyrazolyl nitronyl nitroxide radical","CrystEngComm","2025","27","11","1583","1590","10.1039/D4CE01113A","","","0.71073","MoKα","","0.0949","0.0653","","","0.1549","0.1779","","","","","","1.04","","","","has coordinates,has disorder","298857","2025-04-05","02:39:58",""
"7249843","12.0447","0.0007","16.704","0.001","20.5482","0.0013","111.44","0.003","92.035","0.004","102.735","0.004","3722.6","0.4","193","","193","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H47 Cu Dy F30 N8 O16 -","- C59 H47 Cu Dy F30 N8 O16 -","- C118 H94 Cu2 Dy2 F60 N16 O32 -","2","1","","Chu, Jiamin; Liu, Yi; Li, Jing; Zhu, Mei","Structure, magnetic properties and fluorescence selectivity of 1D chain complexes based on the pyrazolyl nitronyl nitroxide radical","CrystEngComm","2025","27","11","1583","1590","10.1039/D4CE01113A","","","1.54184","CuKα","","0.117","0.1011","","","0.2526","0.2738","","","","","","1.071","","","","has coordinates,has disorder","298857","2025-04-05","02:39:58",""
"7249844","11.996","0.0006","16.6031","0.0007","20.3772","0.001","110.962","0.004","92.013","0.004","102.791","0.004","3666.6","0.3","100","0.1","100.15","","","","","","","","","7","P -1","-P 1","2","","","","- C59 H47 Cu F30 N8 O16 Tb -","- C59 H47 Cu F30 N8 O16 Tb -","- C118 H94 Cu2 F60 N16 O32 Tb2 -","2","1","","Chu, Jiamin; Liu, Yi; Li, Jing; Zhu, Mei","Structure, magnetic properties and fluorescence selectivity of 1D chain complexes based on the pyrazolyl nitronyl nitroxide radical","CrystEngComm","2025","27","11","1583","1590","10.1039/D4CE01113A","","","0.71073","MoKα","","0.1262","0.1082","","","0.2632","0.2758","","","","","","1.105","","","","has coordinates,has disorder","298857","2025-04-05","02:39:58",""
"7249850","4.8019","0.0006","8.3731","0.0009","9.5127","0.0015","76.71","0.02","80.38","0.02","86.6","0.02","366.91","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H18 N3 O10 P -","- C9 H18 N3 O10 P -","- C9 H18 N3 O10 P -","1","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0275","0.0272","","","0.0743","0.0747","","","","","","1.062","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249851","4.7963","0.0008","8.247","0.003","9.04","0.003","70.65","0.02","86.7","0.03","84.89","0.02","335.89","0.18","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H16 N3 O9 P -","- C9 H16 N3 O9 P -","- C9 H16 N3 O9 P -","1","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.1183","0.098","","","0.2717","0.2852","","","","","","1.166","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249852","8.338","0.002","31.318","0.007","4.8912","0.001","90","","90","","90","","1277.2","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H14 N3 O8 P -","- C9 H14 N3 O8 P -","- C36 H56 N12 O32 P4 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.1215","0.1197","","","0.3168","0.3178","","","","","","1.102","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249853","8.4629","0.0016","35.212","0.007","4.8658","0.0008","90","","90","","90","","1450","0.5","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C9 H17 N3 O9.5 P -","- C9 H17 N3 O9.5 P -","- C36 H68 N12 O38 P4 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0434","0.0422","","","0.1024","0.1029","","","","","","1.094","","","","has coordinates,has disorder","298181","2025-03-04","19:41:11",""
"7249854","4.7896","0.0008","8.1312","0.0014","8.4477","0.0012","76.85","0.02","79.75","0.02","83.99","0.02","314.55","0.09","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H14 N3 O8 P -","- C9 H14 N3 O8 P -","- C9 H14 N3 O8 P -","1","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0493","0.0485","","","0.1358","0.1371","","","","","","1.1","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249855","4.843","0.004","8.646","0.008","15.726","0.002","90","","93.68","0.01","90","","657.1","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H14 N3 O8 P -","- C9 H14 N3 O8 P -","- C18 H28 N6 O16 P2 -","2","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","0.0251","transmissionelectronmicroscope","","0.1547","0.1322","","","0.3358","0.3497","","","","","","1.146","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249856","8.367","0.002","34.158","0.007","4.8236","0.0009","90","","90","","90","","1378.6","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H16 N3 O9 P -","- C9 H16 N3 O9 P -","- C36 H64 N12 O36 P4 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.076","0.0748","","","0.2101","0.2112","","","","","","1.118","","","","has coordinates,has disorder","298181","2025-03-04","19:41:11",""
"7249857","4.7974","0.0008","8.2932","0.001","16.861","0.003","101.48","0.02","92.04","0.02","95.55","0.02","653.29","0.19","100","2","100","2","","","","","","","","5","P 1","P 1","1","","","","- C9 H15 N3 O8.5 P -","- C9 H15 N3 O8.5 P -","- C18 H30 N6 O17 P2 -","2","2","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0807","0.0743","","","0.2016","0.2059","","","","","","1.063","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249858","8.422","0.0014","35.163","0.006","9.693","0.002","90","","90","","90","","2870.5","0.9","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H17 N3 O9.5 P -","- C9 H17 N3 O9.5 P -","- C72 H136 N24 O76 P8 -","8","2","","Kaszubowski, Oskar; Ślepokura, Katarzyna; Wojciechowski, Jakub","Same but different: structural diversity of cytidine 5′-monophosphate (CMP) (an)hydrates","CrystEngComm","2025","27","8","1174","1184","10.1039/D4CE00965G","","","1.5418","CuKα","","0.0501","0.0464","","","0.1433","0.1457","","","","","","1.15","","","","has coordinates","298181","2025-03-04","19:41:11",""
"7249862","12.003","0.002","11.347","0.002","10.802","0.002","90","","101.75","0.03","90","","1440.4","0.5","221","2","221","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.08","0.0522","","","0.1343","0.1503","","","","","","1.047","","","","has coordinates","298172","2025-03-04","19:37:59",""
"7249863","12.004","0.002","11.352","0.002","10.797","0.002","90","","101.7","0.03","90","","1440.7","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.0592","0.0462","","","0.1213","0.1303","","","","","","1.048","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249864","12.008","0.002","11.352","0.002","10.791","0.002","90","","101.7","0.03","90","","1440.4","0.5","221","2","221","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.054","0.0441","","","0.1151","0.1215","","","","","","1.066","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249865","12.012","0.002","11.349","0.002","10.792","0.002","90","","101.68","0.03","90","","1440.7","0.5","221","2","221","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.0624","0.0509","","","0.1298","0.137","","","","","","1.071","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249866","12.075","0.002","11.371","0.002","10.787","0.002","90","","101.73","0.03","90","","1450.2","0.5","221","2","221","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.0831","0.0656","","","0.1714","0.1841","","","","","","1.058","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249867","12.005","0.002","11.349","0.002","10.792","0.002","90","","101.71","0.03","90","","1439.8","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.0518","0.0447","","","0.1185","0.1243","","","","","","1.048","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249868","12.006","0.002","11.351","0.002","10.793","0.002","90","","101.67","0.03","90","","1440.5","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Crystallization solvent-induced fluorescence tuning by subtle conformational change in a conformationally flexible fluorophore","CrystEngComm","2025","27","10","1420","1426","10.1039/D4CE01197J","","","0.63","synchrotron","","0.075","0.0518","","","0.1375","0.1496","","","","","","1.083","","","","has coordinates","298172","2025-03-04","19:38:00",""
"7249869","28.644","0.006","7.1941","0.0014","23.764","0.005","90","","113.655","0.004","90","","4485.5","1.6","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Cu O5 en lv so t -","- C27 H18 Cu O5 -","- C216 H144 Cu8 O40 -","8","1","","Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie","Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities","CrystEngComm","2025","27","8","1206","1213","10.1039/D4CE01201A","","","0.71073","MoKα","","0.071","0.0619","","","0.1446","0.1529","","","","","","1.101","","","","has coordinates","298183","2025-03-04","19:41:59",""
"7249870","23.673","0.004","18.677","0.004","17.763","0.004","90","","90","","90","","7854","3","173","2","173","2","","","","","","","","8","C m c e","-C 2ac 2","64","","","","- C27 H18 O5 Zn en lv so t -","- C27 H18 O5 Zn -","- C216 H144 O40 Zn8 -","8","0.5","","Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie","Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities","CrystEngComm","2025","27","8","1206","1213","10.1039/D4CE01201A","","","0.71073","MoKα","","0.1622","0.0932","","","0.261","0.301","","","","","","1.021","","","","has coordinates","298183","2025-03-04","19:42:01",""
"7249871","25.5168","0.0006","25.5168","0.0006","20.8378","0.0007","90","","90","","120","","11749.9","0.6","120","2","120","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C180 H142 N6 O32 Zn7 -","- C180 H138 N6 O32 Zn7.0002 -","- C540 H414 N18 O96 Zn21.0006 -","3","0.166667","","Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie","Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities","CrystEngComm","2025","27","8","1206","1213","10.1039/D4CE01201A","","","0.71073","MoKα","","0.0767","0.0544","","","0.1401","0.1588","","","","","","1.019","","","","has coordinates","298183","2025-03-04","19:42:10",""
"7249872","23.4998","0.0008","18.6597","0.0006","17.5655","0.0006","90","","90","","90","","7702.5","0.4","120","2","120","2","","","","","","","","9","C m c e","-C 2ac 2","64","","","","- C30 H23 Cu N O5 en lv so t -","- C30 H23 Cu N O5 -","- C240 H184 Cu8 N8 O40 -","8","0.5","","Israfilov, Nizami; Kyritsakas, Nathalie; Jouaiti, Abdelaziz; Ferlay, Sylvie","Exploring the formation of coordination polymers based on dicarboxylic ligands derived from fluorene and their adsorption abilities","CrystEngComm","2025","27","8","1206","1213","10.1039/D4CE01201A","","","0.71073","MoKα","","0.0631","0.0464","","","0.1285","0.14","","","","","","1.046","","","","has coordinates,has disorder","298183","2025-03-04","19:42:10",""
"7249873","33.209","0.002","33.209","0.002","8.3584","0.0009","90","","90","","120","","7983","1.1","293","2","293","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C19 H15 Cd N O6 -","- C19 H15 Cd N O6 -","- C342 H270 Cd18 N18 O108 -","18","1","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.1223","0.0631","","","0.1022","0.126","","","","","","1.002","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249874","12.5813","0.0012","9.8659","0.0012","14.7378","0.0013","90","","90","","90","","1829.3","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C80 H76 N4 O16 -","4","1","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.0895","0.0532","","","0.1205","0.1413","","","","","","0.999","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249875","16.1979","0.0007","22.8193","0.0008","11.8386","0.0005","90","","100.545","0.004","90","","4301.9","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C200 H168 N8 O32 -","8","2","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.1018","0.0593","","","0.1449","0.177","","","","","","1.016","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249876","12.1419","0.0011","8.5142","0.0007","16.4832","0.001","90","","96.129","0.007","90","","1694.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cd N2 O10 -","- C36 H32 Cd N2 O10 -","- C72 H64 Cd2 N4 O20 -","2","0.5","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.0586","0.0422","","","0.0993","0.109","","","","","","1.079","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249877","17.4412","0.0005","14.5878","0.0004","17.9857","0.0005","90","","107.952","0.003","90","","4353.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H44 Cd N2 O10 -","- C50 H44 Cd N2 O10 -","- C200 H176 Cd4 N8 O40 -","4","1","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.0658","0.0446","","","0.0881","0.0956","","","","","","1.021","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249878","16.4124","0.0011","17.2304","0.0015","28.2016","0.0019","90","","92.706","0.006","90","","7966.3","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C83 H79 Cd2 N5 O17 -","- C83 H79 Cd2 N5 O17 -","- C332 H316 Cd8 N20 O68 -","4","1","","Mai, Ying-Ying; Liu, Li; Dai, Jing-Cao","Photochromic pyridylfulgenates and their cadmium complexes","CrystEngComm","2025","27","11","1548","1559","10.1039/D4CE01219D","","","0.71073","MoKα","","0.1124","0.0713","","","0.1607","0.1865","","","","","","1.025","","","","has coordinates","298863","2025-04-05","02:41:52",""
"7249879","16.6697","0.0003","14.6638","0.0003","19.3585","0.0004","90","","97.241","0.002","90","","4694.27","0.16","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C44 H38 Br2 Co2 N4 O11 -","- C44 H38 Br2 Co2 N4 O11 -","- C176 H152 Br8 Co8 N16 O44 -","4","0.5","","Chen, Xiang-Yu; Hu, Zi-Ang; Qu, Yan; Ning, Ru-Jin; Tao, Wen-Da; He, Shou-Qin; Liu, Zhi-Fu; Shen, Yong-Hui; Qin, Ling","The optimization of hydrogen evolution performance by removing guest molecules in Co-MOF","CrystEngComm","2025","27","11","1591","1598","10.1039/D5CE00014A","","","1.54178","CuKα","","0.0806","0.0619","","","0.1653","0.182","","","","","","0.847","","","","has coordinates","298859","2025-04-05","02:40:33",""
"7249880","6.9964","0.0006","8.4138","0.0008","17.0464","0.0018","86.124","0.008","89.703","0.008","73.686","0.008","960.75","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Br N2 O P -","- C20 H18 Br N2 O P -","- C40 H36 Br2 N4 O2 P2 -","2","1","","Mukherjee, Debojyoti; Karmakar, Indrajit; Brahmachari, Goutam","Sono- and mechanochemical dual syntheses of bio-relevant aryldiazenyl-substituted phosphine oxides/phosphonates via P(O)–H functionalisation","Green Chemistry","2025","27","9","2565","2577","10.1039/D4GC05501B","","x-ray","1.54184","CuKα","","0.1093","0.0761","","","0.2226","0.2541","","","","","","1.148","","","","has coordinates","298964","2025-04-05","03:28:52",""
"7249882","26.8681","0.0004","9.3502","0.0002","33.4362","0.0005","90","","96.671","0.001","90","","8343","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 Br2 O4 -","- C21 H20 Br2 O4 -","- C336 H320 Br32 O64 -","16","2","","Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang","A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol","CrystEngComm","2025","27","11","1560","1567","10.1039/D5CE00044K","","x-ray","1.54178","CuKα","","0.0618","0.055","","","0.1427","0.1539","","","","","","1.058","","","","has coordinates,has disorder","298864","2025-04-05","02:42:04",""
"7249883","11.4955","0.0003","12.1086","0.0003","12.9827","0.0003","110.33","0.002","91.122","0.002","104.67","0.002","1627.74","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H30 Cd N4 O7 -","- C33 H30 Cd N4 O7 -","- C66 H60 Cd2 N8 O14 -","2","1","","Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang","A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol","CrystEngComm","2025","27","11","1560","1567","10.1039/D5CE00044K","","x-ray","1.54178","CuKα","","0.0514","0.049","","","0.1352","0.1385","","","","","","1.013","","","","has coordinates","298864","2025-04-05","02:42:04",""
"7249884","12.071","0.006","10.485","0.005","12.181","0.006","90","","118.789","0.009","90","","1351.1","1.2","297.15","","297.15","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C33 H26 N4 O4 -","- C33 H26 N4 O4 -","- C66 H52 N8 O8 -","2","1","","Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang","A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol","CrystEngComm","2025","27","11","1560","1567","10.1039/D5CE00044K","","","0.71073","MoKα","","0.1149","0.0622","","","0.1269","0.1511","","","","","","1.012","","","","has coordinates","298864","2025-04-05","02:42:04",""
"7249885","11.2015","0.0015","11.4714","0.0016","12.5314","0.0017","72.283","0.002","76.741","0.002","65.449","0.002","1385.3","0.3","297","2","297.15","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H26 N4 O5 Pb -","- C33 H26 N4 O5 Pb -","- C66 H52 N8 O10 Pb2 -","2","1","","Wu, Guiling; Dong, Chuanzong; Liu, Pinzhen; Zheng, Chunyang","A luminescent coordination polymer constructed from a fluorene-based bifunctional ligand for the selective detection of tetracyclines and 2,4,6-trinitrophenol","CrystEngComm","2025","27","11","1560","1567","10.1039/D5CE00044K","","","0.71073","MoKα","","0.0606","0.0387","","","0.0757","0.0829","","","","","","1.025","","","","has coordinates,has disorder","298864","2025-04-05","02:42:04",""
"7249891","10.2178","0.0002","10.2178","0.0002","13.0003","0.0004","90","","90","","120","","1175.44","0.05","100","2","100","2","","","","","","","","4","P 32","P 32","145","","","","- C17 H20 N2 S -","- C17 H20 N2 S -","- C51 H60 N6 S3 -","3","1","","Dwivedi, Astha M.; Gonnade, Rajesh G.; Sahoo, Suban K.; Bedekar, Ashutosh V.","Separation of isomers of chiral thiourea derivatives via spontaneous resolution and rationale of molecular recognition","CrystEngComm","2025","27","9","1240","1247","10.1039/D4CE01226G","","","1.54178","CuKα","","0.0318","0.0277","","","0.0607","0.0631","","","","","","1.078","","","","has coordinates","298216","2025-03-04","19:51:25",""
"7249892","12.9267","0.0011","12.7298","0.0011","9.3576","0.0008","90","","90.901","0.002","90","","1539.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 S -","- C17 H20 N2 S -","- C68 H80 N8 S4 -","4","1","","Dwivedi, Astha M.; Gonnade, Rajesh G.; Sahoo, Suban K.; Bedekar, Ashutosh V.","Separation of isomers of chiral thiourea derivatives via spontaneous resolution and rationale of molecular recognition","CrystEngComm","2025","27","9","1240","1247","10.1039/D4CE01226G","","","1.54178","CuKα","","0.0336","0.0328","","","0.0828","0.0836","","","","","","1.071","","","","has coordinates","298216","2025-03-04","19:51:26",""
"7249893","18.5963","0.0005","18.5963","0.0005","5.7039","0.0002","90","","90","","120","","1708.27","0.09","278","2","278","2","","","","","","","","3","P 65","P 65","170","","","","- C14 H11 N -","- C14 H11 N -","- C84 H66 N6 -","6","1","","Cabrera, Alexa; Safari, Fatemah; Kumar, Ravhi; Zhu, Haoran; Ahart, Muhtar; Liu, Zhenxian; Driver, Tom G.; Hemley, Russell J.","Synthesis, structure, and stability of a novel 2H-azirine under pressure","CrystEngComm","2025","27","9","1248","1255","10.1039/D4CE00937A","","","1.54184","CuKα","","0.0777","0.0582","","","0.197","0.2165","","","","","","1.142","","","","has coordinates","298215","2025-03-04","19:51:15",""
"7249894","9.0094","0.0004","7.6502","0.0004","5.0908","0.0002","90","","97.673","0.004","90","","347.74","0.03","150","","150","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","1,4-dichlorotetrafluorobenzene","","- C6 Cl2 F4 -","- C6 Cl2 F4 -","- C12 Cl4 F8 -","2","0.25","","Bear, Joseph C.; Rosu-Finsen, Alexander; Cockcroft, Jeremy K.","Non-covalent interactions in solid <i>p</i>-C<sub>6</sub>F<sub>4</sub>Cl<sub>2</sub> and C<sub>6</sub>F<sub>5</sub>Cl.","CrystEngComm","2025","27","10","1386","1391","10.1039/d4ce01192a","","x-ray","1.54184","CuKα","","0.0221","0.022","","","0.0596","0.0596","","","","","","1.168","","","","has coordinates","298230","2025-03-04","19:56:49",""
"7249895","9.0176","0.0003","7.6579","0.0003","9.4977","0.0004","90","","96.562","0.003","90","","651.58","0.04","150","","150","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Chloropentafluorobenzene","","- C6 Cl F5 -","- C6 Cl F5 -","- C24 Cl4 F20 -","4","0.5","","Bear, Joseph C.; Rosu-Finsen, Alexander; Cockcroft, Jeremy K.","Non-covalent interactions in solid <i>p</i>-C<sub>6</sub>F<sub>4</sub>Cl<sub>2</sub> and C<sub>6</sub>F<sub>5</sub>Cl.","CrystEngComm","2025","27","10","1386","1391","10.1039/d4ce01192a","","x-ray","1.54184","CuKα","","0.0357","0.0343","","","0.0934","0.0944","","","","","","1.083","","","","has coordinates","298230","2025-03-04","19:56:51",""
"7249896","9.1116","0.0006","7.7713","0.0006","4.8027","0.0004","90","","95.977","0.007","90","","338.23","0.04","200","","200","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Chloropentafluorobenzene","","- C6 Cl F5 -","- C6 Cl F5 -","- C12 Cl2 F10 -","2","0.25","","Bear, Joseph C.; Rosu-Finsen, Alexander; Cockcroft, Jeremy K.","Non-covalent interactions in solid <i>p</i>-C<sub>6</sub>F<sub>4</sub>Cl<sub>2</sub> and C<sub>6</sub>F<sub>5</sub>Cl.","CrystEngComm","2025","27","10","1386","1391","10.1039/d4ce01192a","","x-ray","1.54184","CuKα","","0.0725","0.0694","","","0.1861","0.1889","","","","","","1.084","","","","has coordinates","298230","2025-03-04","19:56:51",""
"7249897","28.64","0.02","6.895","0.005","18.824","0.015","90","","95.56","0.03","90","","3700","5","293.15","","293.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 O2 S -","- C23 H18 O2 S -","- C184 H144 O16 S8 -","8","1","","Xu, Tiantian; Wang, Fen-Dou; Yang, Wen-Chao; Lu, Tong; Wang, Min; Li, Pinhua","Photo-induced intramolecular alkyl/aryl group transfer and SO2 insertion: a new strategy for the synthesis of 3-(alkyl/arylsulfonyl)benzothiophenes","Green Chemistry","2025","27","9","2386","2391","10.1039/D4GC06127F","","","0.71073","MoKα","","0.093","0.0545","","","0.1167","0.1435","","","","","","1.05","","","","has coordinates,has disorder","298966","2025-04-05","03:29:31",""
"7249898","5.8241","0.0003","10.0409","0.0006","29.8544","0.0018","90","","90","","90","","1745.86","0.17","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 O2 S2 -","- C20 H20 O2 S2 -","- C80 H80 O8 S8 -","4","1","","Xu, Tiantian; Wang, Fen-Dou; Yang, Wen-Chao; Lu, Tong; Wang, Min; Li, Pinhua","Photo-induced intramolecular alkyl/aryl group transfer and SO2 insertion: a new strategy for the synthesis of 3-(alkyl/arylsulfonyl)benzothiophenes","Green Chemistry","2025","27","9","2386","2391","10.1039/D4GC06127F","","","1.54178","CuKα","","0.0308","0.0303","","","0.0798","0.08","","","","","","1.059","","","","has coordinates","298966","2025-04-05","03:29:32",""
"7249899","12.6015","0.0004","14.4095","0.0005","13.064","0.0004","90","","105.544","0.001","90","","2285.42","0.13","273.15","","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H18 O2 S3 -","- C28 H18 O2 S3 -","- C112 H72 O8 S12 -","4","1","","Xu, Tiantian; Wang, Fen-Dou; Yang, Wen-Chao; Lu, Tong; Wang, Min; Li, Pinhua","Photo-induced intramolecular alkyl/aryl group transfer and SO2 insertion: a new strategy for the synthesis of 3-(alkyl/arylsulfonyl)benzothiophenes","Green Chemistry","2025","27","9","2386","2391","10.1039/D4GC06127F","","","0.71073","MoKα","","0.0733","0.0435","","","0.0976","0.114","","","","","","1.039","","","","has coordinates","298966","2025-04-05","03:29:32",""
"7249917","14.361","0.002","13.865","0.002","16.142","0.003","90","","94.825","0.005","90","","3202.7","0.9","293.15","","293.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H48 Cl5 Cu N3 O5 -","- C25 H48 Cl5 Cu N3 O5 -","- C100 H192 Cl20 Cu4 N12 O20 -","4","1","","Li, Haitao; Qin, Guangshan; Guo, Zhenwei; Guo, Fang","Metallo-hydrogen bonded organic frameworks with nitrogen tridentate ligands: exploring inclusion and dye adsorption properties","CrystEngComm","2025","27","12","1773","1780","10.1039/D4CE01215A","","","0.71073","MoKα","","0.0454","0.0372","","","0.0959","0.1028","","","","","","1.032","","","","has coordinates","298872","2025-04-05","02:44:04",""
"7249918","11.0149","0.0007","19.8174","0.0013","15.8532","0.001","90","","106.045","0.002","90","","3325.7","0.4","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Cd Cl5 N3 O4 -","- C24 H43.33 Cd Cl5 N3 O4.077 -","- C96 H173.32 Cd4 Cl20 N12 O16.308 -","4","1","","Li, Haitao; Qin, Guangshan; Guo, Zhenwei; Guo, Fang","Metallo-hydrogen bonded organic frameworks with nitrogen tridentate ligands: exploring inclusion and dye adsorption properties","CrystEngComm","2025","27","12","1773","1780","10.1039/D4CE01215A","","","0.71073","MoKα","","0.0649","0.0489","","","0.1268","0.1387","","","","","","1.04","","","","has coordinates,has disorder","298872","2025-04-05","02:44:05",""
"7249919","10.9164","0.0004","19.7454","0.0008","15.8657","0.0006","90","","106.713","0.001","90","","3275.4","0.2","293.15","","293.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H44 Cl5 N3 O4 Zn -","- C24 H43.45 Cl5 N3 O4.059 Zn -","- C96 H173.8 Cl20 N12 O16.236 Zn4 -","4","1","","Li, Haitao; Qin, Guangshan; Guo, Zhenwei; Guo, Fang","Metallo-hydrogen bonded organic frameworks with nitrogen tridentate ligands: exploring inclusion and dye adsorption properties","CrystEngComm","2025","27","12","1773","1780","10.1039/D4CE01215A","","","0.71073","MoKα","","0.0852","0.0548","","","0.1385","0.158","","","","","","1.022","","","","has coordinates,has disorder","298872","2025-04-05","02:44:05",""
"7249920","15.4735","0.0004","13.207","0.0004","14.6062","0.0003","90","","90","","90","","2984.9","0.13","119.99","0.1","120","","","","","","","","","7","P n a 21","P 2c -2n","33","ZRFSIX-21-Cu-Alpha","","","- C22 H35 Cu F6 N7 O5 Zr -","- C22 H35 Cu F6 N7 O5 Zr -","- C88 H140 Cu4 F24 N28 O20 Zr4 -","4","1","","Harvey-Reid, Nathan C.; Scott, Hayley S.; Patil, Komal M.; Kumar, Naveen; Healy, Colm; Zaworotko, Michael J.; Mukherjee, Soumya; Kruger, Paul E.","Fine-tuning of gas uptake and selectivity in a hexafluorozirconate pillared coordination network that features two porous phases","CrystEngComm","2025","27","12","1736","1741","10.1039/D4CE01250J","","","1.54184","CuKα","","0.0564","0.0507","","","0.1318","0.1371","","","","","","1.004","","","","has coordinates","298870","2025-04-05","02:43:31",""
"7249921","14.6449","0.0017","16.654","0.003","14.6352","0.0015","90","","90","","90","","3569.5","0.8","120","0.11","120","","","","","","","","","6","P n n a","-P 2a 2bc","52","ZRFSIX-21-Cu-Beta","","","- C20 H22 Cu F6 N6 Zr -","- C20 H22 Cu F5.998 N6 Zr -","- C80 H88 Cu4 F23.992 N24 Zr4 -","4","0.5","","Harvey-Reid, Nathan C.; Scott, Hayley S.; Patil, Komal M.; Kumar, Naveen; Healy, Colm; Zaworotko, Michael J.; Mukherjee, Soumya; Kruger, Paul E.","Fine-tuning of gas uptake and selectivity in a hexafluorozirconate pillared coordination network that features two porous phases","CrystEngComm","2025","27","12","1736","1741","10.1039/D4CE01250J","","","1.54184","CuKα","","0.1729","0.1131","","","0.2864","0.3335","","","","","","1.094","","","","has coordinates,has disorder","298870","2025-04-05","02:43:31",""
"7249924","14.8563","0.0009","15.281","0.0008","16.5287","0.0012","76.367","0.002","85.738","0.002","66.875","0.002","3352.9","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H55 N6 O8 Yb2 -","- C78 H55 N6 O8 Yb2 -","- C156 H110 N12 O16 Yb4 -","2","1","","Sun, Yining; Liu, Guoguo; Xiong, Gang; Xu, Guangwen","Two novel tetranuclear Yb(iii)-based compounds for highly efficient conversion of CO2 to cyclic carbonates","CrystEngComm","2025","27","14","2148","2153","10.1039/D4CE00662C","","","0.71073","MoKα","","0.0735","0.0529","","","0.1306","0.146","","","","","","1.06","","","","has coordinates,has disorder","298850","2025-04-05","02:37:08",""
"7249925","21.4927","0.0003","15.5992","0.0002","25.5168","0.0004","90","","95.309","0.001","90","","8518.3","0.2","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C176 H144 Cl4 N18 O22 Yb4 -","- C176 H144 Cl4 N18 O22 Yb4 -","- C352 H288 Cl8 N36 O44 Yb8 -","2","0.5","","Sun, Yining; Liu, Guoguo; Xiong, Gang; Xu, Guangwen","Two novel tetranuclear Yb(iii)-based compounds for highly efficient conversion of CO2 to cyclic carbonates","CrystEngComm","2025","27","14","2148","2153","10.1039/D4CE00662C","","","1.54178","CuKα","","0.0784","0.0718","","","0.2059","0.2127","","","","","","1.065","","","","has coordinates","298850","2025-04-05","02:37:09",""
"7249926","25.1779","0.0012","17.1245","0.0009","24.3955","0.0012","90","","100.441","0.001","90","","10344.2","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C122.5 H140 N4 Na4 O8 -","- C122.5 H140 N4 Na4 O8 -","- C490 H560 N16 Na16 O32 -","4","1","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.0673","0.0523","","","0.1337","0.1444","","","","","","1.022","","","","has coordinates,has disorder","298871","2025-04-05","02:43:53",""
"7249927","14.8981","0.0006","8.6526","0.0003","16.0807","0.0008","90","","110.599","0.005","90","","1940.39","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 N O -","- C24 H25 N O -","- C96 H100 N4 O4 -","4","1","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.0907","0.0673","","","0.1805","0.1959","","","","","","1.06","","","","has coordinates","298871","2025-04-05","02:43:54",""
"7249928","26.9692","0.0016","26.9692","0.0016","17.5013","0.0011","90","","90","","120","","11023.9","1.2","100","2","100","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C186 H192 Ca3 N6 O6 -","- C186 H192 Ca3 N6 O6 -","- C558 H576 Ca9 N18 O18 -","3","0.166667","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.139","0.0895","","","0.215","0.2493","","","","","","1.046","","","","has coordinates,has disorder","298871","2025-04-05","02:43:54",""
"7249929","24.2597","0.0008","44.3767","0.0015","8.5031","0.0003","90","","90","","90","","9154.1","0.5","100","2","100","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C22 H15 N O -","- C22 H15 N O -","- C528 H360 N24 O24 -","24","3","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.0727","0.0489","","","0.1107","0.122","","","","","","1.023","","","","has coordinates","298871","2025-04-05","02:43:54",""
"7249930","14.4234","0.0007","10.4958","0.0004","14.8391","0.0007","90","","110.63","0.005","90","","2102.37","0.18","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Cl N O -","- C24 H26 Cl N O -","- C96 H104 Cl4 N4 O4 -","4","1","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.073","0.0501","","","0.113","0.1259","","","","","","1.019","","","","has coordinates,has disorder","298871","2025-04-05","02:43:54",""
"7249931","15.9889","0.001","14.0339","0.0009","19.241","0.001","90","","90","","90","","4317.4","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H26 B F4 N O -","- C24 H26 B F4 N O -","- C192 H208 B8 F32 N8 O8 -","8","1","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.1047","0.071","","","0.1825","0.2049","","","","","","1.092","","","","has coordinates","298871","2025-04-05","02:43:54",""
"7249932","10.632","0.0006","13.0113","0.0007","13.1794","0.0007","80.2304","0.0017","76.6792","0.0018","69.7594","0.0017","1656.48","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H102 Al2 Li2 N2 O8 -","- C72 H102 Al2 Li2 N2 O8 -","- C72 H102 Al2 Li2 N2 O8 -","1","0.5","","Lukoyanov, Anton N.; Zvereva, Yulia V.; Cherkasov, Anton V.; Zhigulin, Grigory Yu.; Kharitonov, Nikita P.; Ketkov, Sergey Yu.","Partial and complete hydrolysis of metal complexes based on monoiminoacenaphthene-1-ones","CrystEngComm","2025","27","12","1749","1762","10.1039/D4CE01199F","","","0.71073","MoKα","","0.0513","0.0414","","","0.1015","0.1078","","","","","","1.026","","","","has coordinates,has disorder","298871","2025-04-05","02:43:54",""
"7249936","16.5381","0.0009","17.0084","0.0009","28.4386","0.0016","85.261","0.003","79.664","0.003","68.022","0.002","7296.6","0.7","298.3","","298.3","","","","","","","","","5","P -1","-P 1","2","","Ti29KO39(OEt)38","","- C76 H190 K O77 Ti29 -","- C76 H190 K O77 Ti29 -","- C152 H380 K2 O154 Ti58 -","2","1","","Liu, Xinchun; Yuan, Yanpeng; Fu, Jiawei; Kong, Yuqing; Sun, Yinyong; Li, Xiaolin; Qu, Nan","Solid-phase synthesis of titanium-oxo clusters and their unprecedented catalytic performance in oxidative desulfurization of fuel oil","Green Chemistry","2025","27","11","2995","3003","10.1039/D4GC05728G","","","0.71073","MoKα","","0.1019","0.0697","","","0.1844","0.2087","","","","","","1.044","","","","has coordinates,has disorder","301020","2025-07-06","17:23:19",""
"7249937","5.52413","0.00013","15.246","0.0004","22.0591","0.0006","90","","90","","90","","1857.84","0.08","93","","93","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 O5 -","- C21 H26 O5 -","- C84 H104 O20 -","4","1","","Kohyama, Aki; Namioka, Motoki; Naka, Hiroshi; Ashikari, Yosuke; Nagaki, Aiichiro; Takikawa, Hiroshi; Yamaoka, Yousuke; Takasu, Kiyosei","Continuous flow synthesis of cyclobutenes via lithium ynolates","Green Chemistry","2025","27","10","2760","2765","10.1039/D4GC05102E","","x-ray","1.54184","CuKα","","0.0379","0.0361","","","0.0975","0.0983","","","","","","1.092","","","","has coordinates","298954","2025-04-05","03:26:39",""
"7249938","6.664","0.0009","17.112","0.002","18.366","0.003","90","","97.266","0.011","90","","2077.5","0.5","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H20 Cd2 Cl6 N2 -","- C10 H20 Cd2 Cl6 N2 -","- C40 H80 Cd8 Cl24 N8 -","4","1","","Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia","High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals","CrystEngComm","2025","27","11","1534","1540","10.1039/D5CE00012B","","x-ray","0.71073","MoKα","","0.0894","0.0552","","","0.0874","0.0999","","","","","","1.011","","","","has coordinates","298865","2025-04-05","02:42:19",""
"7249939","17.6713","0.0011","6.7314","0.0003","18.1716","0.001","90","","90","","90","","2161.6","0.2","403.02","0.1","403.02","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H40 Cd4 Cl12 N4 -","- C20 H40 Cd4 Cl12 N4 -","- C40 H80 Cd8 Cl24 N8 -","2","0.25","","Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia","High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals","CrystEngComm","2025","27","11","1534","1540","10.1039/D5CE00012B","","x-ray","1.54184","CuKα","","0.1221","0.0836","","","0.2809","0.3203","","","","","","1.066","","","","has coordinates,has disorder","298865","2025-04-05","02:42:19",""
"7249940","6.3709","0.0003","16.9377","0.0009","18.33","0.001","90","","97.538","0.005","90","","1960.87","0.18","300","0.1","300","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1","","- C10 H20 Cl6 Mn2 N2 -","- C10 H20 Cl6 Mn2 N2 -","- C40 H80 Cl24 Mn8 N8 -","4","1","","Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia","High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals","CrystEngComm","2025","27","11","1534","1540","10.1039/D5CE00012B","","x-ray","1.54184","CuKα","","0.1","0.0573","","","0.1412","0.1744","","","","","","1.095","","","","has coordinates","298865","2025-04-05","02:42:19",""
"7249941","14.6427","0.0016","6.494","0.0008","10.999","0.002","90","","90","","90","","1045.9","0.3","428","0.1","428","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H10 Cl3 Mn N -","- C5 H10 Cl3 Mn N -","- C20 H40 Cl12 Mn4 N4 -","4","0.5","","Zhang, Jia-Mei; Xu, Zhe-Kun; Qin, Yan; Li, Peng-Fei; Wang, Zhong-Xia","High phase transition temperature and photoluminescence properties in low-dimensional molecular perovskite ferroelastic crystals","CrystEngComm","2025","27","11","1534","1540","10.1039/D5CE00012B","","x-ray","1.54184","CuKα","","0.3271","0.2541","","","0.3984","0.4352","","","","","","1.028","","","","has coordinates,has disorder","298865","2025-04-05","02:42:19",""
"7249942","11.5763","0.0001","18.4127","0.0002","24.1317","0.0003","90","","103.228","0.001","90","","5007.22","0.1","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C54 H50 Cl4 N12 -","- C54 H50 Cl4 N12 -","- C216 H200 Cl16 N48 -","4","0.5","","Smith, Jordan N.; White, Nicholas G.","Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association","CrystEngComm","2025","27","11","1568","1574","10.1039/D5CE00020C","","x-ray","1.54184","CuKα","","0.0359","0.0343","","","0.0903","0.0914","","","","","","1.061","","","","has coordinates","298858","2025-04-05","02:40:26",""
"7249943","11.4546","0.0005","18.6173","0.0007","24.6098","0.0012","90","","100.265","0.004","90","","5164.1","0.4","150.01","0.1","150.01","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 N12 -","- C52 H46 N12 -","- C208 H184 N48 -","4","0.5","","Smith, Jordan N.; White, Nicholas G.","Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association","CrystEngComm","2025","27","11","1568","1574","10.1039/D5CE00020C","","x-ray","1.54184","CuKα","","0.0738","0.0549","","","0.1469","0.1584","","","","","","1.037","","","","has coordinates","298858","2025-04-05","02:40:27",""
"7249944","10.8323","0.0007","10.8523","0.001","13.367","0.001","68.942","0.008","77.748","0.006","63.78","0.008","1312.8","0.2","150","0.1","150","0.1","","","","","","","","3","P 1","P 1","1","","","","- C52 H46 N12 -","- C52 H46 N12 -","- C52 H46 N12 -","1","1","","Smith, Jordan N.; White, Nicholas G.","Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association","CrystEngComm","2025","27","11","1568","1574","10.1039/D5CE00020C","","x-ray","1.54184","CuKα","","0.0459","0.0441","","","0.1185","0.1208","","","","","","1.063","","","","has coordinates,has disorder","298858","2025-04-05","02:40:27",""
"7249945","10.6444","0.0003","49.445","0.0013","11.034","0.0004","90","","115.695","0.004","90","","5233.1","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C54 H48 Cl6 N12 -","- C54 H48 Cl6 N12 -","- C216 H192 Cl24 N48 -","4","2","","Smith, Jordan N.; White, Nicholas G.","Structural diversity in 1D hydrogen-bonded chains assembled through bis(triazole) self-association","CrystEngComm","2025","27","11","1568","1574","10.1039/D5CE00020C","","x-ray","1.54184","CuKα","","0.0873","0.0715","","","0.1716","0.185","","","","","","1.053","","","","has coordinates","298858","2025-04-05","02:40:27",""
"7249946","21.5884","0.0009","21.5884","0.0009","17.7901","0.0011","90","","90","","90","","8291.2","0.7","293","2","293","2","","","","","","","","9","P -4 21 m","P -4 2ab","113","","","","- Cl Cs7.5 H12 N Na0.5 Ni4 O78 P2 W17 -","- Cl Cs7.5 H4 N Na0.5 Ni4 O74 P2 W17 -","- Cl4 Cs30 H16 N4 Na2 Ni16 O296 P8 W68 -","4","0.5","","Wang, Zhen-Wen; Wang, Yue-Lin; Yang, Guo-Yu","A novel sandwich Ni-added polyoxometalate with nonlinear optical properties and photothermal conversion performance","CrystEngComm","2025","27","11","1650","1656","10.1039/D5CE00036J","","x-ray","0.71073","MoKα","","0.0965","0.0533","","","0.0935","0.1102","","","","","","1.031","","","","has coordinates","298860","2025-04-05","02:41:06",""
"7249947","11.464","0.00016","10.37828","0.00014","10.88732","0.00018","90","","108.933","0.001","90","","1225.26","0.03","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Pranoprofen","Pranoprofen","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Prohens, Rafel; Barbas, Rafael; Abrego, Guadalupe; Frontera, Antonio","Interplay of hydrogen bonding and π-stacking interactions in the solid-state architecture of pranoprofen: insights from X-ray crystallography and computational analyses","CrystEngComm","2025","27","12","1742","1748","10.1039/D4CE01279H","powder diffraction","","0.6194","synchrotron","","","","","","","","","23.7501","1204.5","","","","","","","has coordinates","298868","2025-04-05","02:42:57",""
"7249951","37.466","0.003","14.8831","0.0009","18.3908","0.0016","90","","90","","90","","10254.9","1.4","298","","298","","","","","","","","","10","P n m a","-P 2ac 2n","62","","","","- B2 Cs1.5 H47 K4 N0.5 Na3 Ni7 O101 Si2 W20 -","- B2 Cs1.5 H6 K4 N0.5 Na3 Ni7 O101 Si2 W20 -","- B8 Cs6 H24 K16 N2 Na12 Ni28 O404 Si8 W80 -","4","0.5","","Zhang, Zheng-Ge; Wang, Zhen-Wen; Wang, Yu; Chen, Juan; Wang, Yue-Lin; Yang, Guo-Yu","A Ni-added polyoxometalate: synthesis, structure and catalytic performance","CrystEngComm","2025","27","13","1879","1886","10.1039/D5CE00060B","","x-ray","0.71073","MoKα","","0.1215","0.0728","","","0.1292","0.1423","","","","","","1.094","","","","has coordinates","298837","2025-04-05","02:34:22",""
"7249952","12.72","0.004","21.515","0.007","7.046","0.002","90","","92.062","0.012","90","","1927","1","296.15","","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cu N2 O12 -","- C14 H24 Cu N2 O12 -","- C56 H96 Cu4 N8 O48 -","4","1","","Correia, Gilvan A.; Franco, Chris H. J.; Kirillova, Marina V.; Gallou, Fabrice; Kirillov, Alexander M.","Adding value to terpenes: copper-catalyzed oxidation of α-pinene in water under micellar conditions","Green Chemistry","2025","27","12","3178","3185","10.1039/D4GC06525E","","","0.71073","MoKα","","0.1411","0.0668","","","0.1395","0.17","","","","","","0.958","","","","has coordinates","301021","2025-07-06","17:23:28",""
"7249953","8.169","0.003","9.891","0.005","14.098","0.006","105.24","0.02","96.014","0.015","90.575","0.015","1092.2","0.8","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 Cu2 N4 O14 -","- C19 H14 Cu2 N4 O14 -","- C38 H28 Cu4 N8 O28 -","2","1","","Correia, Gilvan A.; Franco, Chris H. J.; Kirillova, Marina V.; Gallou, Fabrice; Kirillov, Alexander M.","Adding value to terpenes: copper-catalyzed oxidation of α-pinene in water under micellar conditions","Green Chemistry","2025","27","12","3178","3185","10.1039/D4GC06525E","","","0.71075","MoKα","","0.0999","0.0656","","","0.1633","0.1852","","","","","","1.063","","","","has coordinates","301021","2025-07-06","17:23:28",""
"7249954","7.3749","0.001","13.1591","0.0014","19.23","0.003","104.287","0.004","96.867","0.005","103.278","0.004","1729.1","0.4","298","","298","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H33 Cu3 N4 O19 -","- C26 H33 Cu3 N4 O19 -","- C52 H66 Cu6 N8 O38 -","2","1","","Correia, Gilvan A.; Franco, Chris H. J.; Kirillova, Marina V.; Gallou, Fabrice; Kirillov, Alexander M.","Adding value to terpenes: copper-catalyzed oxidation of α-pinene in water under micellar conditions","Green Chemistry","2025","27","12","3178","3185","10.1039/D4GC06525E","","","0.71073","MoKα","","0.0956","0.0648","","","0.1765","0.198","","","","","","1.035","","","","has coordinates","301021","2025-07-06","17:23:28",""
"7249955","12.2261","0.0005","14.0822","0.0006","15.115","0.0005","67.388","0.004","72.278","0.003","74.731","0.003","2256.41","0.17","95","","95","","","","","","","","","6","P -1","-P 1","2","","Venetoclax","","- C47 H53 Cl N8 O7 S -","- C47 H53 Cl N8 O7 S -","- C94 H106 Cl2 N16 O14 S2 -","2","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","1.54184","CuKα","","0.0535","0.0398","","0.0978","0.0895","0.0978","","","","","","0.9919","","","","has coordinates","298867","2025-04-05","02:42:49",""
"7249956","12.6958","0.0005","43.0206","0.0012","10.8969","0.0005","90","","110.267","0.005","90","","5583.2","0.4","95","","95","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","Venetoclax","","- C55 H63 Cl N10 O11 S -","- C55 H63 Cl N10 O11 S -","- C220 H252 Cl4 N40 O44 S4 -","4","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","1.54184","CuKα","","0.0749","0.0526","","0.1381","0.1237","0.1381","","","","","","0.9807","","","","has coordinates","298867","2025-04-05","02:42:50",""
"7249957","11.1533","0.0004","12.6185","0.0005","19.2633","0.0007","71.723","0.003","85.508","0.003","73.59","0.003","2469.28","0.17","120","","120","","","","","","","","","6","P -1","-P 1","2","","Venetoclax","","- C49 H55 Cl N8 O11 S -","- C49 H55 Cl N8 O11 S -","- C98 H110 Cl2 N16 O22 S2 -","2","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","0.71073","MoKα","","0.084","0.0529","","0.1648","0.1449","0.1648","","","","","","0.9906","","","","has coordinates","298867","2025-04-05","02:42:50",""
"7249958","10.8016","0.0001","10.8223","0.0001","14.0795","0.0001","84.7041","0.0009","83.824","0.0009","76.704","0.001","1588.57","0.02","95","","95","","","","","","","","","6","P 1","P 1","1","","Venetoclax","","- C66 H66 Cl N7.5 O13 S3 -","- C66 H66 Cl N7.5 O13 S3 -","- C66 H66 Cl N7.5 O13 S3 -","1","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","1.54184","CuKα","","0.0555","0.0552","","0.1501","0.1495","0.1501","","","","","","1.0468","","","","has coordinates","298867","2025-04-05","02:42:50",""
"7249959","12.1935","0.0001","15.7385","0.0001","17.4811","0.0002","109.48","0.0009","95.9264","0.0008","109.261","0.0009","2898.7","0.05","95","","95","","","","","","","","","6","P -1","-P 1","2","","Venetoclax","","- C59 H66 Cl N7 O13 S3 -","- C59 H66 Cl N7 O13 S3 -","- C118 H132 Cl2 N14 O26 S6 -","2","1","","Havl°ujová, Tereza; Hriňová, Erika; Zmeškalová, Eliška; Kučeráková, Monika; Ridvan, Luděk; Šoóš, Miroslav","Pharmaceutical salts of venetoclax with dicarboxylic and sulfonic acids: solid-state characterization and dissolution performance","CrystEngComm","2025","27","12","1816","1829","10.1039/D4CE01121J","","","1.54184","CuKα","","0.0511","0.0472","","0.1379","0.1351","0.1374","","","","","","0.9078","","","","has coordinates","298867","2025-04-05","02:42:50",""
"7249960","3.5587","0.0001","17.1844","0.0006","10.0828","0.0004","90","","94.393","0.003","90","","614.79","0.04","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 N12 O4 -","- C6 H12 N12 O4 -","- C12 H24 N24 O8 -","2","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54178","CuKα","","0.0477","0.0383","","","0.097","0.1018","","","","","","1.123","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249961","3.4551","0.0003","14.0564","0.0009","9.0385","0.0006","90","","93.842","0.006","90","","437.98","0.06","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N8 O4 -","- C4 H8 N8 O4 -","- C8 H16 N16 O8 -","2","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54178","CuKα","","0.0522","0.0436","","","0.1114","0.1182","","","","","","1.03","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249962","3.981","0.0002","26.2212","0.0013","11.0929","0.0005","90","","98.702","0.003","90","","1144.62","0.1","213.15","","213.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N10 O4 -","- C6 H10 N10 O4 -","- C24 H40 N40 O16 -","4","1","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54184","CuKα","","0.059","0.0409","","","0.1045","0.1155","","","","","","1.027","","","","has coordinates,has disorder","298842","2025-04-05","02:35:28",""
"7249963","10.4988","0.0004","13.0416","0.0005","11.0271","0.0005","90","","103.205","0.002","90","","1469.92","0.1","223.15","","223.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 Cl N10 O8 -","- C6 H11 Cl N10 O8 -","- C24 H44 Cl4 N40 O32 -","4","1","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","0.71073","MoKα","","0.0631","0.0453","","","0.1152","0.1353","","","","","","1.049","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249964","3.6169","0.0018","7.881","0.003","9.865","0.005","109.743","0.019","97.4","0.02","101.86","0.02","253","0.2","233","","233","","","","","","","","","4","P -1","-P 1","2","","","","- C4 H10 N10 O4 -","- C4 H10 N10 O4 -","- C4 H10 N10 O4 -","1","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54178","CuKα","","0.1036","0.0486","","","0.1188","0.1469","","","","","","0.944","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249965","3.6899","0.0007","13.747","0.003","9.3323","0.0013","90","","95.909","0.01","90","","470.87","0.15","233","","233","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 N8 O6 -","- C4 H8 N8 O6 -","- C8 H16 N16 O12 -","2","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","0.71073","MoKα","","0.0799","0.0689","","","0.1864","0.1925","","","","","","1.097","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249966","3.4526","0.0001","14.093","0.0006","9.0501","0.0004","90","","94.007","0.003","90","","439.28","0.03","223","","223","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N6 O6 -","- C4 H6 N6 O6 -","- C8 H12 N12 O12 -","2","0.5","","Shi, Lei; Liu, Bangxiang; Wang, Pengfei; Gao, Chao; Zhang, Chong; Du, Yang; Sun, Chengguo; Hu, Bingcheng","Ionization treatment of pyrazolo[4,3-c]pyrazole derivatives to achieve the low sensitivity of high-energy materials","CrystEngComm","2025","27","13","1918","1926","10.1039/D4CE01286K","","","1.54178","CuKα","","0.0487","0.044","","","0.1207","0.1254","","","","","","1.102","","","","has coordinates","298842","2025-04-05","02:35:28",""
"7249967","19.6125","0.0016","5.5243","0.0004","8.0101","0.0007","90","","90.068","0.003","90","","867.86","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H30 Cd Cl2 N2 -","- C12 H30 Cd Cl2 N2 -","- C24 H60 Cd2 Cl4 N4 -","2","0.5","","Parthiban, Pavithra; Makhija, Urmila; Pratham, Rachit; Swain, Diptikanta; Nag, Angshuman","Covalent organic–inorganic layered 2D CdCl2(n-hexylamine)2 and not Cd2S2(n-hexylamine)","CrystEngComm","2025","27","13","2004","2011","10.1039/D5CE00011D","","","0.71073","MoKα","","0.0584","0.0417","","","0.0939","0.1016","","","","","","1.047","","","","has coordinates","298834","2025-04-05","02:33:55",""
"7249968","6.8046","0.0002","8.8154","0.0003","10.4843","0.0004","88.304","0.001","88.304","0.002","69.875","0.003","590.12","0.04","100","2","100","2","","","","","","","","4","P 1","P 1","1","Darifenacin hydrate","","","- C28 H31.27 N2 O2.64 -","- C28 H31.274 N2 O2.637 -","- C28 H31.274 N2 O2.637 -","1","1","","Nowak, Przemysław; Pietrzak, Anna; Dudek, Marta K.","Understanding the stability of the amorphous form of darifenacin","CrystEngComm","2025","27","13","1927","1938","10.1039/D4CE01257G","","","1.54184","CuKα","","0.0372","0.0357","","","0.091","0.0922","","","","","","1.065","","","","has coordinates","298841","2025-04-05","02:35:18",""
"7249969","12.2363","0.0001","8.7874","0.0001","14.0356","0.0002","90","","113.022","0.001","90","","1388.98","0.03","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","darifenacin solvate with toluene","","","- C35 H38 N2 O2 -","- C35 H38 N2 O2 -","- C70 H76 N4 O4 -","2","1","","Nowak, Przemysław; Pietrzak, Anna; Dudek, Marta K.","Understanding the stability of the amorphous form of darifenacin","CrystEngComm","2025","27","13","1927","1938","10.1039/D4CE01257G","","","1.54184","CuKα","","0.0501","0.0446","","","0.095","0.0971","","","","","","1.066","","","","has coordinates,has disorder","298841","2025-04-05","02:35:18",""
"7249970","12.9596","0.0004","13.7413","0.0003","25.0477","0.0007","100.909","0.002","95.649","0.002","114.947","0.003","3890.9","0.2","150","1","150","1","","","","","","","","8","P -1","-P 1","2","","","","- C78 H64 Dy F9 N7 O14 P3 S3 -","- C78 H64 Dy F9 N7 O14 P3 S3 -","- C156 H128 Dy2 F18 N14 O28 P6 S6 -","2","1","","Kopotkov, Vyacheslav A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Korchagin, Denis V.; Zhidkov, Mikhail V.; Dmitriev, Alexei I.; Mahmoudi, Ghodrat; Yagubskii, Eduard B.","Mononuclear complexes of dysprosium(iii) with 2,6-diacetylpyridine bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties","CrystEngComm","2025","27","13","2012","2024","10.1039/D5CE00066A","","x-ray","0.71073","MoKα","","0.0666","0.0412","","","0.0838","0.0917","","","","","","1.003","","","","has coordinates,has disorder","298840","2025-04-05","02:35:09",""
"7249971","12.8264","0.0003","23.1597","0.0007","25.9044","0.0006","108.328","0.002","98.49","0.002","98.959","0.002","7055.2","0.3","120","1","120","1","","","","","","","","8","P -1","-P 1","2","","","","- C59 H84 Dy F6 N7 O10 P2 S2 -","- C59 H84 Dy F6 N7 O10 P2 S2 -","- C236 H336 Dy4 F24 N28 O40 P8 S8 -","4","2","","Kopotkov, Vyacheslav A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Korchagin, Denis V.; Zhidkov, Mikhail V.; Dmitriev, Alexei I.; Mahmoudi, Ghodrat; Yagubskii, Eduard B.","Mononuclear complexes of dysprosium(iii) with 2,6-diacetylpyridine bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties","CrystEngComm","2025","27","13","2012","2024","10.1039/D5CE00066A","","x-ray","0.71073","MoKα","","0.101","0.0611","","","0.1279","0.1651","","","","","","1.173","","","","has coordinates,has disorder","298840","2025-04-05","02:35:10",""
"7249972","44.0135","0.0004","33.1845","0.0003","18.0566","0.0002","90","","93.1764","0.0007","90","","26332.3","0.4","100","1","100","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C117 H167 Dy2 F9 N14 O17 P4 S3 -","- C117 H167 Dy2 F9 N14 O17 P4 S3 -","- C936 H1336 Dy16 F72 N112 O136 P32 S24 -","8","1","","Kopotkov, Vyacheslav A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Korchagin, Denis V.; Zhidkov, Mikhail V.; Dmitriev, Alexei I.; Mahmoudi, Ghodrat; Yagubskii, Eduard B.","Mononuclear complexes of dysprosium(iii) with 2,6-diacetylpyridine bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties","CrystEngComm","2025","27","13","2012","2024","10.1039/D5CE00066A","","x-ray","0.71073","MoKα","","0.0559","0.0432","","","0.1042","0.1151","","","","","","1.09","","","","has coordinates,has disorder","298840","2025-04-05","02:35:10",""
"7249973","13.80326","0.00014","17.08518","0.00016","31.85","0.0003","99.0853","0.0008","94.0652","0.0008","91.2834","0.0008","7394.03","0.13","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C77 H72.8 Cl2 Dy N7 O15.9 P3 -","- C77 H69 Cl2 Dy N7 O15.9 P3 -","- C308 H276 Cl8 Dy4 N28 O63.6 P12 -","4","2","","Kopotkov, Vyacheslav A.; Zorina, Leokadiya V.; Simonov, Sergey V.; Korchagin, Denis V.; Zhidkov, Mikhail V.; Dmitriev, Alexei I.; Mahmoudi, Ghodrat; Yagubskii, Eduard B.","Mononuclear complexes of dysprosium(iii) with 2,6-diacetylpyridine bis(isonicotinoylhydrazone): synthesis, crystal structure, and magnetic properties","CrystEngComm","2025","27","13","2012","2024","10.1039/D5CE00066A","","x-ray","0.71073","MoKα","","0.0521","0.0411","","","0.0964","0.103","","","","","","1.007","","","","has coordinates,has disorder","298840","2025-04-05","02:35:10",""
"7249974","13.8538","0.0003","17.5673","0.0004","13.8398","0.0003","90","","96.191","0.002","90","","3348.6","0.13","299.8","0.1","299.8","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H38 Br10 N6 O Pb2 -","- C12 H38 Br10 N6 O Pb2 -","- C48 H152 Br40 N24 O4 Pb8 -","4","1","","Fan, Chang-Chun; Fang, Zi-Han; Jiao, Shu-Lin; Yu, Jing-Xue; Liu, Cheng-Dong; Wang, Wei; Jin, Ming-Liang; Liang, Bei-Dou; Han, Xiang-Bin","Enhanced luminescence in 1D corrugated lead bromides via reduced flexibility of trivalent cations","CrystEngComm","2025","27","13","1997","2003","10.1039/D5CE00003C","","x-ray","0.71073","MoKα","","0.0912","0.0516","","","0.0813","0.0889","","","","","","1.067","","","","has coordinates","298836","2025-04-05","02:34:12",""
"7249975","10.2495","0.0002","8.7968","0.0002","10.3341","0.0002","90","","101.902","0.001","90","","911.72","0.03","282","","282","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H22 Br5 N3 O Pb -","- C7 H22 Br5 N3 O Pb -","- C14 H44 Br10 N6 O2 Pb2 -","2","0.5","","Fan, Chang-Chun; Fang, Zi-Han; Jiao, Shu-Lin; Yu, Jing-Xue; Liu, Cheng-Dong; Wang, Wei; Jin, Ming-Liang; Liang, Bei-Dou; Han, Xiang-Bin","Enhanced luminescence in 1D corrugated lead bromides via reduced flexibility of trivalent cations","CrystEngComm","2025","27","13","1997","2003","10.1039/D5CE00003C","","","1.54178","CuKα","","0.0322","0.0301","","","0.0661","0.067","","","","","","1.099","","","","has coordinates,has disorder","298836","2025-04-05","02:34:12",""
"7249976","6.9591","0.0009","6.8466","0.0008","8.0046","0.001","90","","115.264","0.004","90","","344.91","0.07","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- H K N O4 -","- H K N O4 -","- H4 K4 N4 O16 -","4","1","","Medvedev, Alexander G.; Mel'nik, Elena A.; Mikhaylov, Alexey A.; Mayorov, Nikita S.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.; Churakov, Andrei V.","Hydrogen bonding of H2O2 molecules in crystal structures of alkali metal and tetraethylammonium nitrate peroxosolvates","CrystEngComm","2025","27","13","1896","1903","10.1039/D4CE01109K","","","0.71073","MoKα","","0.0156","0.0149","","","0.0366","0.0369","","","","","","1.133","","","","has coordinates","298838","2025-04-05","02:34:33",""
"7249977","12.1429","0.0011","12.8212","0.0011","10.9801","0.0009","90","","90","","90","","1709.5","0.3","120","2","120","2","","","","","","","","4","I b a m","-I 2 2c","72","","","","- H4 N2 O9 Rb2 -","- H4 N2 O9 Rb2 -","- H32 N16 O72 Rb16 -","8","0.5","","Medvedev, Alexander G.; Mel'nik, Elena A.; Mikhaylov, Alexey A.; Mayorov, Nikita S.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.; Churakov, Andrei V.","Hydrogen bonding of H2O2 molecules in crystal structures of alkali metal and tetraethylammonium nitrate peroxosolvates","CrystEngComm","2025","27","13","1896","1903","10.1039/D4CE01109K","","","0.71073","MoKα","","0.0602","0.036","","","0.0668","0.0735","","","","","","1.079","","","","has coordinates,has disorder","298838","2025-04-05","02:34:33",""
"7249978","6.705","0.0003","8.1533","0.0003","7.216","0.0002","90","","92.7189","0.0013","90","","394.04","0.03","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H N O4 Rb -","- H N O4 Rb -","- H4 N4 O16 Rb4 -","4","1","","Medvedev, Alexander G.; Mel'nik, Elena A.; Mikhaylov, Alexey A.; Mayorov, Nikita S.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.; Churakov, Andrei V.","Hydrogen bonding of H2O2 molecules in crystal structures of alkali metal and tetraethylammonium nitrate peroxosolvates","CrystEngComm","2025","27","13","1896","1903","10.1039/D4CE01109K","","","0.71073","MoKα","","0.0167","0.0145","","","0.0303","0.0309","","","","","","1.085","","","","has coordinates","298838","2025-04-05","02:34:33",""
"7249979","12.3185","0.0004","14.6896","0.0005","15.1162","0.0005","90","","90","","90","","2735.33","0.16","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H24 N2 O7 -","- C8 H24 N2 O7 -","- C64 H192 N16 O56 -","8","1","","Medvedev, Alexander G.; Mel'nik, Elena A.; Mikhaylov, Alexey A.; Mayorov, Nikita S.; Tripol'skaya, Tatiana A.; Lev, Ovadia; Prikhodchenko, Petr V.; Churakov, Andrei V.","Hydrogen bonding of H2O2 molecules in crystal structures of alkali metal and tetraethylammonium nitrate peroxosolvates","CrystEngComm","2025","27","13","1896","1903","10.1039/D4CE01109K","","","0.71073","MoKα","","0.0413","0.0346","","","0.0856","0.0896","","","","","","1.039","","","","has coordinates","298838","2025-04-05","02:34:33",""
"7249980","10.8713","0.0004","11.0969","0.0004","12.3276","0.0005","106.376","0.001","108.671","0.001","105.367","0.001","1244.23","0.08","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C18 H40 Al Mo6 N14 O38 Zn2 -","- C18 H40 Al Mo6 N14 O38 Zn2 -","- C18 H40 Al Mo6 N14 O38 Zn2 -","1","0.5","","Zu, Zhi-fei; Liang, Ju-ju; Chang, Zhi-han; Lin, Yu-chun; Wang, Xiu-li","Triazole-derivatized ligand-directed diverse structures and polyaniline-assisted capacitive performances of two new Anderson-type [AlMo6(OH)6O18]3−-based metal–organic complexes","CrystEngComm","2025","27","13","1904","1909","10.1039/D5CE00049A","","x-ray","0.71073","MoKα","K-L~3~","0.0274","0.025","","","0.0652","0.0676","","","","","","1.051","","","","has coordinates","298835","2025-04-05","02:34:03",""
"7249981","19.3291","0.0006","18.9664","0.0005","15.4974","0.0004","90","","90","","90","","5681.4","0.3","296.15","","296.15","","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C16 H40 Al Mo6 N16 O38 Zn2 -","- C16 H40 Al Mo6 N16 O38 Zn2 -","- C64 H160 Al4 Mo24 N64 O152 Zn8 -","4","0.5","","Zu, Zhi-fei; Liang, Ju-ju; Chang, Zhi-han; Lin, Yu-chun; Wang, Xiu-li","Triazole-derivatized ligand-directed diverse structures and polyaniline-assisted capacitive performances of two new Anderson-type [AlMo6(OH)6O18]3−-based metal–organic complexes","CrystEngComm","2025","27","13","1904","1909","10.1039/D5CE00049A","","x-ray","0.71073","MoKα","K-L~3~","0.0382","0.0295","","","0.0721","0.0798","","","","","","1.074","","","","has coordinates","298835","2025-04-05","02:34:04",""
"7249982","15.5236","0.0005","7.6804","0.0002","18.3531","0.0005","90","","114.761","0.001","90","","1987.02","0.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.0584","0.0463","","","0.1238","0.1343","","","","","","1.058","","","","has coordinates,has disorder","298862","2025-04-05","02:41:33",""
"7249983","7.2804","0.0005","13.7782","0.001","15.2825","0.0011","106.655","0.002","92.239","0.002","103.923","0.002","1415.88","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H56 Cd N2 O7 -","- C70 H56 Cd N2 O7 -","- C70 H56 Cd N2 O7 -","1","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.086","0.0842","","","0.2503","0.2528","","","","","","1.123","","","","has coordinates","298862","2025-04-05","02:41:33",""
"7249984","15.144","0.004","14.803","0.005","15.759","0.004","90","","109.241","0.011","90","","3335.5","1.7","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H64 Cd N2 O6 -","- C86 H64 Cd N2 O6 -","- C172 H128 Cd2 N4 O12 -","2","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.0463","0.0372","","","0.0953","0.1027","","","","","","1.094","","","","has coordinates","298862","2025-04-05","02:41:33",""
"7249985","14.4148","0.0004","15.8764","0.0005","16.3965","0.0005","61.05","0.002","75.044","0.003","63.886","0.005","2943.5","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C154 H112 Cd2 N4 O10 -","- C154 H112 Cd2 N4 O10 -","- C154 H112 Cd2 N4 O10 -","1","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.0446","0.0317","","","0.0755","0.0903","","","","","","1.11","","","","has coordinates","298862","2025-04-05","02:41:33",""
"7249986","20.408","0.006","27.538","0.009","22.646","0.004","90","","112.654","0.008","90","","11745","6","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C152 H104 Cd2 N4 O8 -","- C152 H104 Cd2 N4 O8 -","- C608 H416 Cd8 N16 O32 -","4","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Cd(ii) complexes of 9-anthracenyl-4′-benzoate and 4-pyridyl vinyl arenes: effect of steric hindrance on the solid-state photoreactivity","CrystEngComm","2025","27","11","1657","1667","10.1039/D4CE01221F","","","0.71073","MoKα","","0.0524","0.0395","","","0.0873","0.0943","","","","","","1.08","","","","has coordinates,has disorder","298862","2025-04-05","02:41:33",""
"7249987","5.9191","0.0003","19.067","0.0007","9.0123","0.0005","90","","90","","90","","1017.12","0.09","298.01","0.1","298.01","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H20 Br2 N2 O2 -","- C20 H20 Br2 N2 O2 -","- C40 H40 Br4 N4 O4 -","2","0.5","","Shen, Xin; Qi, Jun-Chao; Peng, Hang; Xia, Zhang-Tian; Bai, Yong-Ju; Chen, Hui-Ping; Wang, Zhen-Yu; Yang, Tian-En; Qin, Yan; Liao, Wei-Qiang","A photoluminescent second-order nonlinear optical molecular crystal with cold crystallization","CrystEngComm","2025","27","10","1381","1385","10.1039/D4CE01322K","","x-ray","1.54184","CuKα","","0.0936","0.073","","","0.1547","0.1621","","","","","","1.154","","","","has coordinates","298227","2025-03-04","19:55:09",""
"7249988","5.9248","0.0001","19.0854","0.0003","9.0135","0.0001","90","","90","","90","","1019.22","0.03","297.9","0.1","297.9","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H20 Br2 N2 O2 -","- C20 H20 Br2 N2 O2 -","- C40 H40 Br4 N4 O4 -","2","0.5","","Shen, Xin; Qi, Jun-Chao; Peng, Hang; Xia, Zhang-Tian; Bai, Yong-Ju; Chen, Hui-Ping; Wang, Zhen-Yu; Yang, Tian-En; Qin, Yan; Liao, Wei-Qiang","A photoluminescent second-order nonlinear optical molecular crystal with cold crystallization","CrystEngComm","2025","27","10","1381","1385","10.1039/D4CE01322K","","x-ray","1.54184","CuKα","","0.0457","0.0435","","","0.1217","0.1243","","","","","","1.07","","","","has coordinates","298227","2025-03-04","19:55:12",""
"7249989","5.9364","0.0002","19.0616","0.0008","9.0086","0.0003","90","","90","","90","","1019.39","0.06","297.98","0.1","297.98","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C20 H20 Br2 N2 O2 -","- C20 H20 Br2 N2 O2 -","- C40 H40 Br4 N4 O4 -","2","0.5","","Shen, Xin; Qi, Jun-Chao; Peng, Hang; Xia, Zhang-Tian; Bai, Yong-Ju; Chen, Hui-Ping; Wang, Zhen-Yu; Yang, Tian-En; Qin, Yan; Liao, Wei-Qiang","A photoluminescent second-order nonlinear optical molecular crystal with cold crystallization","CrystEngComm","2025","27","10","1381","1385","10.1039/D4CE01322K","","x-ray","1.54184","CuKα","","0.0731","0.0678","","","0.1912","0.1978","","","","","","1.081","","","","has coordinates","298227","2025-03-04","19:55:17",""
"7249990","17.739","0.002","5.4252","0.0006","12.7285","0.0016","90","","95.676","0.005","90","","1219","0.2","298","2","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 O2 -","- C17 H12 O2 -","- C68 H48 O8 -","4","1","","Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.","Sustainable construction of value-added naphthoquinones for pharmaceuticals","Green Chemistry","2025","27","13","3465","3476","10.1039/D4GC06053A","","","0.71073","MoKα","","0.0571","0.0473","","","0.1277","0.1332","","","","","","1.073","","","","has coordinates","301009","2025-07-06","17:21:27",""
"7249991","5.4268","0.0001","10.2243","0.0002","22.7209","0.0005","90","","94.593","0.002","90","","1256.63","0.04","298.7","","298.7","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H12 O2 -","- C17 H12 O2 -","- C68 H48 O8 -","4","1","","Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.","Sustainable construction of value-added naphthoquinones for pharmaceuticals","Green Chemistry","2025","27","13","3465","3476","10.1039/D4GC06053A","","x-ray","0.71073","MoKα","","0.0563","0.0447","","","0.1166","0.1265","","","","","","1.068","","","","has coordinates","301009","2025-07-06","17:21:27",""
"7249992","19.0585","0.0016","5.6006","0.0005","13.1682","0.0009","90","","104.843","0.003","90","","1358.66","0.19","298","2","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O3 -","- C18 H14 O3 -","- C72 H56 O12 -","4","1","","Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.","Sustainable construction of value-added naphthoquinones for pharmaceuticals","Green Chemistry","2025","27","13","3465","3476","10.1039/D4GC06053A","","","0.71073","MoKα","","0.1783","0.0613","","","0.1412","0.1622","","","","","","0.976","","","","has coordinates","301009","2025-07-06","17:21:27",""
"7249993","15.4575","0.0011","7.5249","0.0006","21.8542","0.0018","90","","93.64","0.003","90","","2536.9","0.3","298","2","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H11 F O2 -","- C17 H11 F O2 -","- C136 H88 F8 O16 -","8","1","","Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.","Sustainable construction of value-added naphthoquinones for pharmaceuticals","Green Chemistry","2025","27","13","3465","3476","10.1039/D4GC06053A","","","0.71073","MoKα","","0.1541","0.063","","","0.1507","0.1642","","","","","","1.099","","","","has coordinates","301009","2025-07-06","17:21:27",""
"7249994","4.9955","0.0002","5.9148","0.0003","11.7073","0.0007","103.743","0.002","98.978","0.002","97.252","0.002","327.06","0.03","298","2","298","","","","","","","","","4","P 1","P 1","1","","","","- C17 H11 Cl O2 -","- C17 H11 Cl O2 -","- C17 H11 Cl O2 -","1","1","","Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.","Sustainable construction of value-added naphthoquinones for pharmaceuticals","Green Chemistry","2025","27","13","3465","3476","10.1039/D4GC06053A","","","0.71073","MoKα","","0.0446","0.0375","","","0.0858","0.088","","","","","","1.021","","","","has coordinates","301009","2025-07-06","17:21:27",""
"7249995","6.8522","0.0005","12.7911","0.0011","15.3647","0.0012","94.719","0.003","102.333","0.003","90.643","0.003","1310.56","0.18","301","2","301","","","","","","","","","3","P -1","-P 1","2","","","","- C32 H31 O6 -","- C32 H31 O6 -","- C64 H62 O12 -","2","1","","Rath, Sibani; Lamba, Pinki; Sravan Kumar Reddy, P.; Krishna, Anugam V.; Ramachary, Dhevalapally B.","Sustainable construction of value-added naphthoquinones for pharmaceuticals","Green Chemistry","2025","27","13","3465","3476","10.1039/D4GC06053A","","","0.71073","MoKα","","0.1185","0.0795","","","0.231","0.2523","","","","","","1.079","","","","has coordinates","301009","2025-07-06","17:21:27",""
"7250002","11.2755","0.0005","12.5603","0.0005","14.1747","0.0006","88.076","0.003","75.092","0.004","86.99","0.003","1936.81","0.15","114.9","0.1","114.9","0.1","","","","","","","","8","P -1","-P 1","2","","","","- C44 H40 B Cu F4 N4 O P2 -","- C44 H40 B Cu F4 N4 O P2 -","- C88 H80 B2 Cu2 F8 N8 O2 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","x-ray","0.71073","MoKα","","0.0511","0.0411","","","0.0952","0.1016","","","","","","1.075","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250003","11.9345","0.0011","13.5182","0.0012","13.6237","0.0012","85.59","0.003","82.487","0.002","88.594","0.004","2172.4","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C46 H40 B Cu F4 N6 O P2 -","- C46 H40 B Cu F4 N6 O P2 -","- C92 H80 B2 Cu2 F8 N12 O2 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.0923","0.0545","","","0.1367","0.156","","","","","","0.961","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250004","20.228","0.002","21.227","0.002","19.952","0.002","90","","99.407","0.003","90","","8451.8","1.4","298","2","298","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C88 H72 Cu2 F6 N8 O6 P4 S2 -","- C88 H72 Cu2 F6 N8 O6 P4 S2 -","- C352 H288 Cu8 F24 N32 O24 P16 S8 -","4","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.2659","0.1874","","","0.3599","0.3849","","","","","","1.09","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250005","11.51","0.0011","12.721","0.0013","14.1767","0.0012","90.485","0.002","104.934","0.003","91.579","0.002","2004.6","0.3","298","2","298.15","","","","","","","","","6","P -1","-P 1","2","","","","- C43 H36 Cu I N4 P2 -","- C43 H36 Cu I N4 P2 -","- C86 H72 Cu2 I2 N8 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.0873","0.0646","","","0.1746","0.1884","","","","","","0.9438","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250006","11.9207","0.0011","13.9365","0.0012","13.9818","0.0013","86.078","0.003","82.12","0.002","87.814","0.003","2294.5","0.4","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H40 Cu F3 N6 O4 P2 S -","- C47 H40 Cu F3 N6 O4 P2 S -","- C94 H80 Cu2 F6 N12 O8 P4 S2 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.0926","0.057","","","0.1486","0.1685","","","","","","1.013","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250007","11.6848","0.0011","12.8101","0.0012","14.4714","0.0013","88.363","0.003","74.601","0.002","88.134","0.003","2086.8","0.3","298","2","298.15","","","","","","","","","7","P -1","-P 1","2","","","","- C44 H40 Cl Cu N4 O5 P2 -","- C44 H40 Cl Cu N4 O5 P2 -","- C88 H80 Cl2 Cu2 N8 O10 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.1359","0.0867","","","0.2126","0.2433","","","","","","0.934","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250008","11.8666","0.0001","13.4149","0.0002","13.5834","0.0002","85.487","0.001","82.21","0.001","88.53","0.001","2135.49","0.05","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H40 Cl Cu N6 O5 P2 -","- C46 H40 Cl Cu N6 O5 P2 -","- C92 H80 Cl2 Cu2 N12 O10 P4 -","2","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","x-ray","1.54184","CuKα","","0.0369","0.035","","","0.0994","0.1007","","","","","","1.027","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250009","13.0654","0.0007","16.2881","0.001","21.3823","0.0012","90","","99.09","0.002","90","","4493.2","0.4","296.15","","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H48 Cu I N6 O3 P2 -","- C47 H44 Cu I N6 O2 P2 -","- C188 H176 Cu4 I4 N24 O8 P8 -","4","1","","Mou, Wen-Long; Fan, Si-Jie; Wang, Ying-Long; Wang, Guo; Hu, Fu-Zhen; Guo, Gui-Xiong; Han, Hong-Liang; Xin, Xiu-Lan; Liu, Jian-Ming; Yang, Yu-Ping; Li, Zhong-Feng; Jin, Qiong-Hua","Synthesis, characterization, and green to orange luminescence properties of copper(i) complexes with 3-bdppmapy ligand-containing phenanthroline and its derivatives","CrystEngComm","2025","27","14","2086","2100","10.1039/D4CE01324G","","","0.71073","MoKα","","0.0435","0.0326","","","0.077","0.0858","","","","","","1.055","","","","has coordinates","298856","2025-04-05","02:39:41",""
"7250012","13.9025","0.001","13.729","0.001","15.9725","0.001","90","","98.472","0.003","90","","3015.4","0.4","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N3 S -","- C10 H13 N3 S -","- C120 H156 N36 S12 -","12","3","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0563","0.0428","","","0.1257","0.131","","","","","","1.103","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250013","14.1073","0.0011","13.0293","0.001","9.4999","0.0008","90","","94.478","0.003","90","","1740.8","0.2","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O S -","- C19 H21 N3 O S -","- C76 H84 N12 O4 S4 -","4","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0628","0.0415","","","0.0987","0.111","","","","","","1.021","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250014","8.5839","0.0003","19.2383","0.0008","21.3179","0.0009","90","","90","","90","","3520.4","0.2","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C19 H20 F N3 O S -","- C19 H20 F N3 O S -","- C152 H160 F8 N24 O8 S8 -","8","2","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0483","0.0395","","","0.0867","0.0921","","","","","","1.029","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250015","8.2226","0.0005","7.7209","0.0005","14.3343","0.0011","90","","94.293","0.003","90","","907.47","0.11","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 N3 S -","- C9 H11 N3 S -","- C36 H44 N12 S4 -","4","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0467","0.0371","","","0.0997","0.1028","","","","","","1.089","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250016","7.776","0.0007","8.2126","0.0007","10.8516","0.001","86.364","0.003","69.904","0.003","88.495","0.003","649.49","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H15 N3 S -","- C15 H15 N3 S -","- C30 H30 N6 S2 -","2","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0381","0.0364","","","0.0987","0.1002","","","","","","1.076","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250017","11.2278","0.0005","9.733","0.0004","13.8833","0.0005","90","","110.469","0.002","90","","1421.38","0.1","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 S -","- C16 H17 N3 S -","- C64 H68 N12 S4 -","4","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0641","0.0483","","","0.1367","0.142","","","","","","1.146","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250018","16.9149","0.0012","9.8296","0.0006","16.9361","0.0012","90","","118.803","0.003","90","","2467.5","0.3","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H21 N3 O4 S3 -","- C26 H21 N3 O4 S3 -","- C104 H84 N12 O16 S12 -","4","1","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.078","0.0506","","","0.1194","0.1269","","","","","","1.055","","","","has coordinates","298848","2025-04-05","02:36:49",""
"7250019","16.8994","0.0007","17.1783","0.0008","17.8101","0.0008","61.569","0.002","79.57","0.002","88.952","0.002","4457.8","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 N3 S -","- C11 H15 N3 S -","- C176 H240 N48 S16 -","16","8","","Deb, Pran Kishore; Menon, Anila M.; PSR, Fathima Nida; Shruti, Ipsha; Nidal, Sara; Venugopala, Katharigatta N.; Chopra, Deepak","Exploring intermolecular interactions and energetics in crystalline substituted thieno[2,3-d]pyrimidines","CrystEngComm","2025","27","14","2070","2085","10.1039/D5CE00071H","","","0.71073","MoKα","","0.0506","0.0426","","","0.102","0.1073","","","","","","1.053","","","","has coordinates,has disorder","298848","2025-04-05","02:36:49",""
"7250020","8.8372","0.0003","26.8331","0.0012","7.5381","0.0003","90","","94.605","0.003","90","","1781.74","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 N3 O4 -","- C21 H15 N3 O4 -","- C84 H60 N12 O16 -","4","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.0663","0.0455","","","0.0936","0.1048","","","","","","1.033","","","","has coordinates","298854","2025-04-05","02:38:09",""
"7250021","17.3238","0.0003","18.1345","0.0004","18.2145","0.0004","87.982","0.002","83.51","0.002","77.24","0.002","5544.8","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H86 Ce2 N18 O25 -","- C126 H86 Ce2 N18 O25 -","- C252 H172 Ce4 N36 O50 -","2","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.0645","0.0418","","","0.0791","0.0914","","","","","","1.045","","","","has coordinates","298854","2025-04-05","02:38:10",""
"7250022","17.1864","0.0003","18.0738","0.0004","18.1622","0.0004","87.955","0.002","83.642","0.002","77.387","0.002","5471.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H86 Eu2 N18 O25 -","- C126 H86 Eu2 N18 O25 -","- C252 H172 Eu4 N36 O50 -","2","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.0569","0.0338","","","0.0559","0.0614","","","","","","0.978","","","","has coordinates","298854","2025-04-05","02:38:10",""
"7250023","17.1488","0.0009","18.0395","0.0012","18.1496","0.0011","87.998","0.005","83.599","0.005","77.479","0.005","5446.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H86 Gd2 N18 O25 -","- C126 H86 Gd2 N18 O25 -","- C252 H172 Gd4 N36 O50 -","2","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.1131","0.0533","","","0.063","0.0775","","","","","","0.835","","","","has coordinates","298854","2025-04-05","02:38:10",""
"7250024","18.0208","0.0004","18.139","0.0004","35.215","0.0009","82.461","0.002","77.237","0.002","88.009","0.002","11129.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C252 H174 N36 O51 Tb4 -","- C252 H174 N36 O51 Tb4 -","- C504 H348 N72 O102 Tb8 -","2","1","","Cao, Yue-Mei; He, Ying; Pei, Xin-Yue; Liang, Jia-Xing; Feng, Jing; Wang, Hong-Yan; Bo, Qi-Bing","Deferasirox HOF and its in situ metallization affording a new family of lanthanide coordination polymer-based MHOFs","CrystEngComm","2025","27","14","2175","2189","10.1039/D4CE01245C","","x-ray","0.71073","MoKα","","0.1041","0.077","","","0.1659","0.1808","","","","","","1.082","","","","has coordinates,has disorder","298854","2025-04-05","02:38:10",""
"7250025","9.919","0.0002","18.6995","0.0004","14.2034","0.0003","90","","91.711","0.002","90","","2633.28","0.1","95","","95","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H38 N2 O2 -","- C31 H38 N2 O2 -","- C124 H152 N8 O8 -","4","2","","Koryťáková, Adéla; Chatziadi, Argyro; Rohlíček, Jan; Zmeškalová, Eliška; Beránek, Josef; Šoóš, Miroslav","Stability study and structural insights into cannabidiol cocrystals","CrystEngComm","2025","27","14","2154","2165","10.1039/D4CE01314J","","","1.54184","CuKα","","0.0678","0.0585","","0.1573","0.1533","0.1573","","","","","","0.9309","","","","has coordinates","298853","2025-04-05","02:37:49",""
"7250026","8.9467","0.0001","16.7061","0.0003","32.6593","0.0005","90","","90","","90","","4881.4","0.13","95","","95","","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C26 H39 N O4 -","- C26 H39 N O4 -","- C208 H312 N8 O32 -","8","2","","Koryťáková, Adéla; Chatziadi, Argyro; Rohlíček, Jan; Zmeškalová, Eliška; Beránek, Josef; Šoóš, Miroslav","Stability study and structural insights into cannabidiol cocrystals","CrystEngComm","2025","27","14","2154","2165","10.1039/D4CE01314J","","","1.54184","CuKα","","0.0482","0.0446","","0.1137","0.1115","0.1137","","","","","","1.0315","","","","has coordinates","298853","2025-04-05","02:37:49",""
"7250027","20.0237","0.0006","17.0222","0.0005","8.20215","0.00019","90","","90","","90","","2795.68","0.13","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H45 N O5 -","- C28 H45 N O5 -","- C112 H180 N4 O20 -","4","1","","Koryťáková, Adéla; Chatziadi, Argyro; Rohlíček, Jan; Zmeškalová, Eliška; Beránek, Josef; Šoóš, Miroslav","Stability study and structural insights into cannabidiol cocrystals","CrystEngComm","2025","27","14","2154","2165","10.1039/D4CE01314J","powder diffraction","x-ray","1.54187","CuKα","","0.0699","0.0675","","0.0805","0.0803","","","","4.6825","","","","","","","has coordinates","298853","2025-04-05","02:37:49",""
"7250028","9.6215","0.0004","10.7098","0.0004","29.8886","0.0012","90","","90","","90","","3079.9","0.2","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4R,5R)-Bis(diphenyldioxymethyl)-2-spiro-1'-cyclohexane-1,3-dioxane","","- C39 H39 N O4 -","- C39 H39 N O4 -","- C156 H156 N4 O16 -","4","1","","Recchia, Daniella L.; Barton, Benita; Hosten, Eric C.","Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound","CrystEngComm","2025","27","13","1960","1976","10.1039/D5CE00111K","","","0.71073","MoKα","","0.0568","0.046","","","0.0907","0.0972","","","","","","1.116","","","","has coordinates","298839","2025-04-05","02:34:46",""
"7250029","9.3267","0.0009","9.9858","0.001","18.1928","0.0019","81.945","0.004","78.493","0.004","87.89","0.004","1643.9","0.3","200","2","200","2","","","","","","","","4","P 1","P 1","1","","(4R,5R)-Bis(diphenyldioxymethyl)-2-spiro-1'-cyclohexane-1,3-dioxane","","- C40 H41 N O4 -","- C40 H41 N O4 -","- C80 H82 N2 O8 -","2","2","","Recchia, Daniella L.; Barton, Benita; Hosten, Eric C.","Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound","CrystEngComm","2025","27","13","1960","1976","10.1039/D5CE00111K","","","0.71073","MoKα","","0.0585","0.0466","","","0.1032","0.1167","","","","","","1.127","","","","has coordinates","298839","2025-04-05","02:34:46",""
"7250030","9.3884","0.0004","34.6497","0.0013","10.1379","0.0004","90","","92.6305","0.0017","90","","3294.4","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,5R)-Bis(diphenyldioxymethyl)-2-spiro-1'-cyclohexane-1,3-dioxane","","- C40 H41 N O4 -","- C40 H41 N O4 -","- C160 H164 N4 O16 -","4","2","","Recchia, Daniella L.; Barton, Benita; Hosten, Eric C.","Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound","CrystEngComm","2025","27","13","1960","1976","10.1039/D5CE00111K","","","0.71073","MoKα","","0.0431","0.0423","","","0.1135","0.1142","","","","","","1.068","","","","has coordinates,has disorder","298839","2025-04-05","02:34:46",""
"7250031","9.5704","0.0006","9.8658","0.0005","17.3649","0.001","97.408","0.002","100.565","0.002","90.588","0.002","1597.37","0.16","200","2","200","2","","","","","","","","4","P 1","P 1","1","","(4R,5R)-Bis(diphenyldioxymethyl)-2-spiro-1'-cyclohexane-1,3-dioxane","","- C40 H41 N O4 -","- C40 H41 N O4 -","- C80 H82 N2 O8 -","2","2","","Recchia, Daniella L.; Barton, Benita; Hosten, Eric C.","Extremely effective separations of pyridine/picoline mixtures through supramolecular chemistry strategies employing (4R,5R)-bis(diphenylhydroxymethyl)-2-spiro-1′-cyclohexane-1,3-dioxolane as the host compound","CrystEngComm","2025","27","13","1960","1976","10.1039/D5CE00111K","","","0.71073","MoKα","","0.0458","0.0381","","","0.0794","0.0844","","","","","","1.059","","","","has coordinates","298839","2025-04-05","02:34:46",""
"7250032","8.5467","0.0004","9.5605","0.0005","13.016","0.0007","93.461","0.005","95.913","0.004","111.472","0.005","978.93","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 F3 I3 N2 O2 -","- C14 H14 F3 I3 N2 O2 -","- C28 H28 F6 I6 N4 O4 -","2","1","","Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang","Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes","CrystEngComm","2025","27","14","2233","2240","10.1039/D5CE00090D","","","0.71073","MoKα","","0.0598","0.04","","","0.0778","0.0892","","","","","","1.026","","","","has coordinates,has disorder","298855","2025-04-05","02:38:18",""
"7250033","28.0048","0.0013","4.8659","0.0003","15.7552","0.0009","90","","90","","90","","2146.9","0.2","296","2","296","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C18 H13 F3 I3 N O3 -","- C18 H13 F3 I3 N O3 -","- C72 H52 F12 I12 N4 O12 -","4","1","","Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang","Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes","CrystEngComm","2025","27","14","2233","2240","10.1039/D5CE00090D","","","0.71073","MoKα","","0.0385","0.0361","","","0.0982","0.1013","","","","","","1.02","","","","has coordinates","298855","2025-04-05","02:38:19",""
"7250034","8.8594","0.0005","10.1598","0.0007","12.808","0.001","92.855","0.006","95.703","0.005","99.376","0.005","1129.25","0.14","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H28 F12 I6 N4 O4 -","- C34 H28 F12 I6 N4 O4 -","- C34 H28 F12 I6 N4 O4 -","1","0.5","","Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang","Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes","CrystEngComm","2025","27","14","2233","2240","10.1039/D5CE00090D","","","0.71073","MoKα","","0.0493","0.0348","","","0.0673","0.0753","","","","","","1.048","","","","has coordinates","298855","2025-04-05","02:38:19",""
"7250035","6.0245","0.0003","9.3655","0.0004","38.7258","0.0016","90","","92.09","0.004","90","","2183.55","0.17","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 F4 I2 N2 O2 -","- C20 H18 F4 I2 N2 O2 -","- C80 H72 F16 I8 N8 O8 -","4","1","","Song, Lixing; Wei, Lijie; Liu, Chunling; Liu, Yiwei; Lian, Xiang","Halogen-bonded cocrystallization of racetam pharmaceuticals and perfluorinated iodobenzenes","CrystEngComm","2025","27","14","2233","2240","10.1039/D5CE00090D","","","0.71073","MoKα","","0.0488","0.0465","","","0.1252","0.1277","","","","","","1.048","","","","has coordinates","298855","2025-04-05","02:38:19",""
"7250036","11.1392","0.0005","25.2833","0.0011","22.6009","0.0012","90","","103.461","0.002","90","","6190.4","0.5","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C71 H72 Br2 O10 -","- C71 H72 Br2 O10 -","- C284 H288 Br8 O40 -","4","0.5","","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state","CrystEngComm","2025","27","13","1873","1878","10.1039/D4CE01320D","","","1.54178","CuKα","","0.0801","0.0611","","","0.1654","0.185","","","","","","1.055","","","","has coordinates,has disorder","298843","2025-04-05","02:35:48",""
"7250037","38.7491","0.0009","10.4816","0.0002","23.9295","0.0005","90","","107.054","0.001","90","","9291.7","0.3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C102 H120 Br4 O12 -","- C102 H120 Br4 O12 -","- C408 H480 Br16 O48 -","4","0.5","","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state","CrystEngComm","2025","27","13","1873","1878","10.1039/D4CE01320D","","","1.54178","CuKα","","0.0621","0.0494","","","0.131","0.1436","","","","","","1.023","","","","has coordinates","298843","2025-04-05","02:35:48",""
"7250038","11.3658","0.0003","25.1078","0.0007","22.8023","0.0006","90","","104.364","0.001","90","","6303.7","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C73 H76 Br2 O10 -","- C73 H76 Br2 O10 -","- C292 H304 Br8 O40 -","4","1","","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state","CrystEngComm","2025","27","13","1873","1878","10.1039/D4CE01320D","","","1.54178","CuKα","","0.1301","0.1034","","","0.2755","0.3181","","","","","","1.272","","","","has coordinates,has disorder","298843","2025-04-05","02:35:48",""
"7250039","39.404","0.002","10.6754","0.0007","24.3659","0.0014","90","","107.392","0.004","90","","9781","1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C106 H128 Br4 O12 -","- C106 H128 Br4 O12 -","- C424 H512 Br16 O48 -","4","0.5","","Vinodh, Mickey; Abdeljaber, Nour O.; Alipour, Fatemeh H.; Al-Azemi, Talal F.","Prism[n]arene-alkyl dibromide (n = 5, 6) synergy: molecular affinity in the solid state","CrystEngComm","2025","27","13","1873","1878","10.1039/D4CE01320D","","","1.54178","CuKα","","0.1199","0.0752","","","0.2133","0.2571","","","","","","1.03","","","","has coordinates,has disorder","298843","2025-04-05","02:35:48",""
"7250044","17.9836","0.0009","17.9846","0.0008","14.155","0.0007","90","","97.572","0.002","90","","4538.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C98 H90 N16 O17 Zn4 -","- C98 H84 N16 O17 Zn4 -","- C196 H168 N32 O34 Zn8 -","2","0.5","","Zhao, Fang-Hua; Li, Yu-Shuo; Li, Shu-Qi; Wu, Xiao-Hong; He, Yuan-Chun; Li, Zhong-Lin","A stable two-fold interpenetrated 3D Zn(ii) MOF for fluorescence sensing of uric acid and tryptophan","CrystEngComm","2025","27","14","2223","2232","10.1039/D4CE01283F","","","0.71073","MoKα","","0.0492","0.0376","","","0.0997","0.1072","","","","","","1.016","","","","has coordinates","298852","2025-04-05","02:37:33",""
"7250046","14.2295","0.0003","15.4768","0.0003","17.3417","0.0004","70.136","0.002","79.294","0.002","85.33","0.002","3528.67","0.14","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C70.2 H68.2 Cl6.6 N15 O4 -","- C69 H67 Cl3 N15 O4 -","- C138 H134 Cl6 N30 O8 -","2","1","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","","1.3405","GaKα","","0.1149","0.0881","","","0.2705","0.2954","","","","","","1.068","","","","has coordinates","298844","2025-04-05","02:36:14",""
"7250047","22.8874","0.0011","22.8874","0.0011","57.2","0.005","90","","90","","120","","25949","3","100.02","0.1","100.02","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C146.2 H163.2 Cl21.6 N30 O6 -","- C142 H158.999 Cl9 N30 O6 -","- C852 H953.996 Cl54 N180 O36 -","6","0.333333","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.54184","CuKα","","0.1723","0.1446","","","0.3752","0.4041","","","","","","1.456","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250048","14.3812","0.0003","15.4937","0.0003","17.2333","0.0004","71.658","0.002","79.5378","0.0019","82.7903","0.0017","3574.58","0.14","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C155 H160 Cl6 N30 O8 -","- C155.002 H160.002 Cl6.006 N30 O8 -","- C155.002 H160.002 Cl6.006 N30 O8 -","1","0.5","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.3405","GaKα","","0.1928","0.1378","","","0.3414","0.3586","","","","","","1.096","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250049","14.8347","0.0008","15.5615","0.0009","16.9145","0.0009","72.925","0.005","81.228","0.004","82.651","0.004","3674.6","0.4","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C145 H151 Cl9 N30 O8 -","- C145 H151 Cl9 N30 O8 -","- C145 H151 Cl9 N30 O8 -","1","0.5","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.54184","CuKα","","0.2876","0.1353","","","0.3432","0.4357","","","","","","1.167","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250050","14.6409","0.0005","15.4829","0.0005","17.0956","0.0005","71.798","0.003","80.271","0.003","79.849","0.003","3596.8","0.2","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C83 H89 N15 O4 -","- C83 H89 N15 O4 -","- C166 H178 N30 O8 -","2","1","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.54184","CuKα","","0.0914","0.0739","","","0.1878","0.198","","","","","","1.028","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250051","14.7305","0.0005","15.2894","0.0005","17.0209","0.0005","72.734","0.003","80.346","0.003","79.345","0.003","3571.5","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C150.98 H158.98 Cl3 N30 O8 -","- C150.984 H158.98 Cl3 N30 O8 -","- C150.984 H158.98 Cl3 N30 O8 -","1","0.5","","Yang, Tian-Shu; Duan, Xiao-Fang; Yin, Fan; Cai, Li-Xuan; Zhou, Li-Peng; Hu, Shao-Jun; Guo, Xiao-Qing; Sun, Qing-Fu","Guest-adaptive hydrogen-bonded dimerization of a C3-symmetric tribenzotriquinacene molecular bowl","CrystEngComm","2025","27","13","2025","2032","10.1039/D5CE00038F","","x-ray","1.54184","CuKα","","0.1191","0.085","","","0.231","0.2611","","","","","","1.026","","","","has coordinates,has disorder","298844","2025-04-05","02:36:14",""
"7250052","7.4833","0.0006","8.3504","0.0007","13.117","0.0008","87.703","0.006","79.96","0.006","63.498","0.008","721.64","0.11","169.9","0.3","169.9","0.3","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O4 -","- C18 H16 O4 -","- C36 H32 O8 -","2","1","","Li, Jiayuan; Zhang, Zeyu; Yi, Yaping; Xi, Chanjuan","Visible-light-induced photoredox-catalyzed dearomative dicarboxylation of arenes using formate and CO2","Green Chemistry","2025","27","13","3443","3450","10.1039/D5GC00240K","","x-ray","1.54184","CuKα","","0.041","0.0381","","","0.1012","0.1032","","","","","","1.062","","","","has coordinates","301007","2025-07-06","17:20:54",""
"7250053","5.56956","0.0001","10.83565","0.00018","18.2517","0.0003","90","","90","","90","","1101.49","0.03","170","0.4","170","0.4","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C7 H5 O2 -","- C7 H5 O2 -","- C56 H40 O16 -","8","1","","Li, Jiayuan; Zhang, Zeyu; Yi, Yaping; Xi, Chanjuan","Visible-light-induced photoredox-catalyzed dearomative dicarboxylation of arenes using formate and CO2","Green Chemistry","2025","27","13","3443","3450","10.1039/D5GC00240K","","x-ray","1.54184","CuKα","","0.0345","0.0332","","","0.089","0.09","","","","","","1.034","","","","has coordinates","301007","2025-07-06","17:20:55",""
"7250057","11.0457","0.0016","31.235","0.004","11.3942","0.0017","90","","117.679","0.005","90","","3481.3","0.9","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38 Cl N5 O12 -","- C35 H38 Cl N5 O12 -","- C140 H152 Cl4 N20 O48 -","4","1","","Singh, Abhay Pratap; Baruah, Jubaraj B.","Facts and reality of multi-component organic ionic-cocrystals of di-topic acid–base conjugates","CrystEngComm","2025","27","12","1701","1706","10.1039/D4CE01200C","","","0.71073","MoKα","","0.0957","0.0832","","","0.2077","0.2147","","","","","","1.098","","","","has coordinates","298866","2025-04-05","02:42:28",""
"7250058","8.8096","0.0005","11.2696","0.0006","21.1324","0.0012","85.724","0.002","81.896","0.002","72.086","0.002","1975.3","0.19","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H38 Cl F2 I N5 O12 -","- C38 H38 Cl F2 I N5 O12 -","- C76 H76 Cl2 F4 I2 N10 O24 -","2","1","","Singh, Abhay Pratap; Baruah, Jubaraj B.","Facts and reality of multi-component organic ionic-cocrystals of di-topic acid–base conjugates","CrystEngComm","2025","27","12","1701","1706","10.1039/D4CE01200C","","","0.71073","MoKα","","0.0551","0.0408","","","0.0775","0.0852","","","","","","1.122","","","","has coordinates","298866","2025-04-05","02:42:29",""
"7250059","13.111","0.006","15.861","0.008","18.599","0.009","90","","90.667","0.014","90","","3867","3","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H33 Cl F4 I2 N4 O6 -","- C36 H33 Cl F4 I2 N4 O6 -","- C144 H132 Cl4 F16 I8 N16 O24 -","4","1","","Singh, Abhay Pratap; Baruah, Jubaraj B.","Facts and reality of multi-component organic ionic-cocrystals of di-topic acid–base conjugates","CrystEngComm","2025","27","12","1701","1706","10.1039/D4CE01200C","","","0.71073","MoKα","","0.0543","0.0422","","","0.1053","0.1187","","","","","","1.038","","","","has coordinates","298866","2025-04-05","02:42:31",""
"7250060","10.5962","0.0012","12.4166","0.0015","13.7105","0.0015","91.12","0.003","93.412","0.003","113.928","0.003","1644","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 Cd2 N4 O10 -","- C36 H24 Cd2 N4 O10 -","- C72 H48 Cd4 N8 O20 -","2","1","","Li, Shaodong; Li, Mengzhao; Li, Jia; Zhang, Yang; Su, Feng; Ma, Longlong; Wang, Guangyan; Li, Xinlei; Wang, Zhijun","Two pH-directed coordination polymers of cadmium isomers based on a semi-rigid polycarboxylic acid: crystal structure and fluorescence sensing of tetracyclines","CrystEngComm","2025","27","15","2354","2365","10.1039/D5CE00103J","","","0.71073","MoKα","","0.0715","0.0463","","","0.1165","0.1318","","","","","","1.026","","","","has coordinates","300722","2025-07-06","15:10:31",""
"7250061","7.155","0.002","17.698","0.005","26.296","0.008","90","","93.13","0.011","90","","3324.9","1.7","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 Cd2 N4 O10 -","- C36 H24 Cd2 N4 O10 -","- C144 H96 Cd8 N16 O40 -","4","1","","Li, Shaodong; Li, Mengzhao; Li, Jia; Zhang, Yang; Su, Feng; Ma, Longlong; Wang, Guangyan; Li, Xinlei; Wang, Zhijun","Two pH-directed coordination polymers of cadmium isomers based on a semi-rigid polycarboxylic acid: crystal structure and fluorescence sensing of tetracyclines","CrystEngComm","2025","27","15","2354","2365","10.1039/D5CE00103J","","","0.71073","MoKα","","0.0513","0.0495","","","0.1578","0.1597","","","","","","1.044","","","","has coordinates","300722","2025-07-06","15:10:32",""
"7250062","7.1654","0.0002","10.1994","0.0003","11.9077","0.0004","86.315","0.002","76.45","0.003","73.545","0.003","811.37","0.05","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","1-(((4-isopropylcyclohex-1-en-1-yl)methyl)sulfonyl)-4-methylbenzene","","- C17 H25 O2 S -","- C17 H25 O2 S -","- C34 H50 O4 S2 -","2","1","","Huang, Wanhui; Liu, Ge; Yang, Fangyuanhang; Ren, Yuxi; Gao, Yuzhen; Su, Weiping","CO2-Promoted photoredox-catalyzed hydrosulfonylation of alkenes with sulfinates","Green Chemistry","2025","27","14","3627","3633","10.1039/D5GC00057B","","x-ray","1.54184","CuKα","","0.0653","0.0615","","","0.1689","0.1712","","","","","","1.188","","","","has coordinates","301012","2025-07-06","17:21:56",""
"7250063","8.30717","0.00015","12.2319","0.0002","20.046","0.0003","90","","90","","90","","2036.92","0.06","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O3 S -","- C21 H30 O3 S -","- C84 H120 O12 S4 -","4","1","","Huang, Wanhui; Liu, Ge; Yang, Fangyuanhang; Ren, Yuxi; Gao, Yuzhen; Su, Weiping","CO2-Promoted photoredox-catalyzed hydrosulfonylation of alkenes with sulfinates","Green Chemistry","2025","27","14","3627","3633","10.1039/D5GC00057B","","","1.54184","CuKα","","0.0337","0.0318","","","0.0857","0.0874","","","","","","1.065","","","","has coordinates","301012","2025-07-06","17:21:56",""
"7250064","26.9074","0.0004","17.1592","0.0003","27.359","0.0004","90","","96.183","0.001","90","","12558.4","0.3","300.48","0.1","300.48","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H24 Cd2 F4 N6 O8 -","- C43 H24 Cd2 F4 N6 O8 -","- C344 H192 Cd16 F32 N48 O64 -","8","1","","Fang, Han; Han, Jia-Peng; Zhang, Bo; Liu, Deng-Bo; Li, Xing-Wang; Li, Jing-Yu; He, Yutong; Yu, Mei-Hui","A versatile luminescent metal–organic framework for selective detection of Fe(iii) cations and Cr(vi) anions","CrystEngComm","2025","27","8","1139","1145","10.1039/D4CE01107D","","x-ray","1.54184","CuKα","","0.0425","0.0393","","","0.1106","0.1132","","","","","","1.089","","","","has coordinates","297955","2025-03-04","02:21:38",""
"7250065","7.5267","0.0006","11.4086","0.0009","13.3971","0.001","114.88","0.0016","91.182","0.002","94.865","0.002","1037.85","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 Cd N2 O10 -","- C22 H17 Cd N2 O10 -","- C44 H34 Cd2 N4 O20 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0517","0.0332","","","0.0607","0.0663","","","","","","1.034","","","","has coordinates","297956","2025-03-04","02:23:54",""
"7250066","6.546","0.004","12.633","0.007","12.865","0.007","97.026","0.019","95.24","0.02","96.96","0.02","1042","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H34 N4 O22 Zn2 -","- C42 H34 N4 O22 Zn2 -","- C42 H34 N4 O22 Zn2 -","1","0.5","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0857","0.0463","","","0.0899","0.1029","","","","","","1.027","","","","has coordinates","297956","2025-03-04","02:24:05",""
"7250067","8.328","0.003","10.399","0.003","12.543","0.004","95.415","0.006","97.524","0.006","92.705","0.009","1070.1","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Cd N2 O11 -","- C21 H17 Cd N2 O11 -","- C42 H34 Cd2 N4 O22 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0565","0.0493","","","0.1295","0.1334","","","","","","1.123","","","","has coordinates","297956","2025-03-04","02:24:06",""
"7250068","10.24","0.03","12.29","0.04","13.58","0.05","97.39","0.09","99.45","0.13","104.61","0.11","1605","9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H22 Cd N4 O14 -","- C38 H20 Cd N4 O14 -","- C76 H40 Cd2 N8 O28 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0716","0.0467","","","0.1104","0.1226","","","","","","1.015","","","","has coordinates,has disorder","297956","2025-03-04","02:24:06",""
"7250069","10.4465","0.0006","12.6964","0.0007","13.574","0.0008","97.2892","0.0013","99.3233","0.0013","105.765","0.0013","1681.84","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H18 Cd N4 O12 -","- C38 H18 Cd N4 O12 -","- C76 H36 Cd2 N8 O24 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0675","0.0438","","","0.0852","0.0926","","","","","","1.005","","","","has coordinates","297956","2025-03-04","02:24:06",""
"7250070","8.103","0.004","10.232","0.005","12.72","0.006","97.593","0.012","99.913","0.011","91.322","0.013","1028.6","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 N2 O11 Zn -","- C21 H17 N2 O11 Zn -","- C42 H34 N4 O22 Zn2 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.1386","0.0742","","","0.0917","0.1055","","","","","","1.064","","","","has coordinates","297956","2025-03-04","02:24:06",""
"7250071","10.1088","0.0013","10.4401","0.0013","11.9209","0.0014","106.047","0.003","94.16","0.003","112.725","0.003","1092.2","0.2","299","2","299","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H19 Cd N4 O7.5 -","- C21 H18 Cd N4 O7.5 -","- C42 H36 Cd2 N8 O15 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.0636","0.0378","","","0.0598","0.0655","","","","","","1.012","","","","has coordinates","297956","2025-03-04","02:24:07",""
"7250072","10.256","0.003","12.694","0.004","13.59","0.005","97.295","0.009","99.972","0.01","105.313","0.008","1652.7","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H19 N4 O14 Zn -","- C39 H19 N4 O14 Zn -","- C78 H38 N8 O28 Zn2 -","2","1","","Chen, Wei-Hao; Chen, Yen-Hsin; Thapa, Kedar Bahadur; Liu, Shih-Miao; Chen, Jhy-Der","Coordination polymers constructed from bis-pyridyl-bis-amides and 1,4,5,8-naphthalenetetracarboxylic acid: ligand transformation and metal ion sensing","CrystEngComm","2025","27","5","606","615","10.1039/D4CE01119H","","","0.71073","MoKα","","0.1468","0.0838","","","0.2025","0.2372","","","","","","1.048","","","","has coordinates","297956","2025-03-04","02:24:07",""
"7250074","12.6709","0.0003","13.3145","0.0003","11.2685","0.0003","90","","110.5","0.003","90","","1780.68","0.08","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 N2 O6 S -","- C17 H20 N2 O6 S -","- C68 H80 N8 O24 S4 -","4","1","","Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming","Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions","Green Chemistry","2025","27","5","1499","1509","10.1039/D4GC05637J","","x-ray","1.54184","CuKα","","0.0533","0.0489","","","0.1292","0.1331","","","","","","1.0476","","","","has coordinates","297973","2025-03-04","07:36:11",""
"7250075","17.434","0.0009","11.5074","0.0006","20.8088","0.0011","90","","102.322","0.005","90","","4078.5","0.4","292.69","0.1","292.69","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C21 H19 F N2 O6 S -","- C21 H19 F N2 O6 S -","- C168 H152 F8 N16 O48 S8 -","8","1","","Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming","Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions","Green Chemistry","2025","27","5","1499","1509","10.1039/D4GC05637J","","x-ray","0.71073","MoKα","","0.0648","0.047","","","0.1097","0.1224","","","","","","1.03","","","","has coordinates","297974","2025-03-04","07:36:30",""
"7250076","17.2458","0.0002","12.0306","0.0002","21.0605","0.0003","90","","98.195","0.001","90","","4324.96","0.11","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C21 H19 Br N2 O6 S -","- C21 H19 Br N2 O6 S -","- C168 H152 Br8 N16 O48 S8 -","8","1","","Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming","Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions","Green Chemistry","2025","27","5","1499","1509","10.1039/D4GC05637J","","x-ray","1.54184","CuKα","","0.0426","0.0384","","","0.1037","0.108","","","","","","1.037","","","","has coordinates,has disorder","297975","2025-03-04","07:36:46",""
"7250077","16.1273","0.0003","13.8387","0.0002","19.0079","0.0003","90","","90","","90","","4242.2","0.12","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H22 N2 O6 S -","- C22 H22 N2 O6 S -","- C176 H176 N16 O48 S8 -","8","1","","Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming","Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions","Green Chemistry","2025","27","5","1499","1509","10.1039/D4GC05637J","","x-ray","1.54184","CuKα","","0.0707","0.0522","","","0.1398","0.1564","","","","","","1.093","","","","has coordinates","297976","2025-03-04","07:37:02",""
"7250078","16.0694","0.0016","9.9654","0.0008","17.9448","0.0017","90","","113.464","0.011","90","","2636","0.5","292.38","0.1","292.38","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 Cl2 F3 N2 O6 S -","- C23 H21 Cl2 F3 N2 O6 S -","- C92 H84 Cl8 F12 N8 O24 S4 -","4","1","","Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming","Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions","Green Chemistry","2025","27","5","1499","1509","10.1039/D4GC05637J","","x-ray","0.71073","MoKα","","0.1034","0.0746","","","0.2032","0.2298","","","","","","1.025","","","","has coordinates,has disorder","297977","2025-03-04","07:37:26",""
"7250079","6.8778","0.0003","6.8778","0.0003","19.2548","0.0011","90","","90","","90","","910.83","0.08","287","","287","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Mg4 Na O12 V3 -","- Mg4 Na O12 V3 -","- Mg16 Na4 O48 V12 -","4","0.25","","Wang, Xiaoming; Feng, Qiuyuan; Hou, Ketian; Wei, Wei; Lu, Juanjuan; Wei, Lai; Zhang, Feng","Exploring quaternary vanadates containing alkali metals, alkaline earth metals, and [VO4] in the quest for nonlinear optical materials","CrystEngComm","2025","27","14","2101","2107","10.1039/D4CE01058B","","","0.71073","MoKα","","0.0194","0.0187","","","0.0438","0.0446","","","","","","1.006","","","","has coordinates","298849","2025-04-05","02:36:58",""
"7250080","6.8673","0.0006","6.8673","0.0006","18.968","0.002","90","","90","","90","","894.53","0.15","287","","287","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","","","- Li Mg4 O12 V3 -","- Li Mg4 O12 V3 -","- Li4 Mg16 O48 V12 -","4","0.25","","Wang, Xiaoming; Feng, Qiuyuan; Hou, Ketian; Wei, Wei; Lu, Juanjuan; Wei, Lai; Zhang, Feng","Exploring quaternary vanadates containing alkali metals, alkaline earth metals, and [VO4] in the quest for nonlinear optical materials","CrystEngComm","2025","27","14","2101","2107","10.1039/D4CE01058B","","","0.71073","MoKα","","0.0187","0.0184","","","0.0468","0.047","","","","","","1.18","","","","has coordinates","298849","2025-04-05","02:36:59",""
"7250081","7.5048","0.0014","12.3263","0.0019","26.274","0.005","90","","92.904","0.005","90","","2427.4","0.7","100","2","99.9","","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C23 H21 Cd F6 N O5.5 -","- C21 H17 Cd F6 N O5 -","- C84 H68 Cd4 F24 N4 O20 -","4","1","","Balendra,; Ali, Mahboob; Sanyukta,; Murugavel, Sevi","Effect of coordinated and lattice neutral co-ligands on the dielectric properties of cadmium and magnesium based coordination polymers","CrystEngComm","2025","27","14","2136","2147","10.1039/D4CE01238K","","","0.71073","MoKα","","0.0838","0.0429","","","0.0795","0.0893","","","","","","1.045","","","","has coordinates,has disorder","298851","2025-04-05","02:37:17",""
"7250082","25.095","0.016","6.44","0.004","28.376","0.018","90","","114.671","0.018","90","","4167","5","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H43 Mg3 N O19 S2 -","- C32 H34 Mg3 O18 S2 -","- C128 H136 Mg12 O72 S8 -","4","0.5","","Balendra,; Ali, Mahboob; Sanyukta,; Murugavel, Sevi","Effect of coordinated and lattice neutral co-ligands on the dielectric properties of cadmium and magnesium based coordination polymers","CrystEngComm","2025","27","14","2136","2147","10.1039/D4CE01238K","","","0.71073","MoKα","","0.0659","0.0498","","","0.1262","0.1356","","","","","","1.041","","","","has coordinates","298851","2025-04-05","02:37:17",""
"7250083","12.4892","0.0003","5.1131","0.0001","18.7509","0.0004","90","","90.473","0.001","90","","1197.36","0.05","100","","100","","","","","","","","","4","P 1 2 1","P 2y","3","","","","- C23 H26 N4 O9 -","- C23 H26 N4 O9 -","- C46 H52 N8 O18 -","2","1","","Baptista, Rosa M. F.; Ayala, Alejandro P.; de Matos Gomes, Etelvina; Castro, M. Cidália R.; Machado, Ana V.; Belsley, Michael S.","Second harmonic generation and crystal structure of a self-assembled Boc-p-nitro-l-phenylalanyl-p-nitro-l-phenylalanine dipeptide","CrystEngComm","2025","27","14","2195","2203","10.1039/D5CE00134J","","x-ray","1.54178","CuKα","","0.0427","0.0357","","","0.087","0.0927","","","","","","1.018","","","","has coordinates","298847","2025-04-05","02:36:34",""
"7250084","3.616","0.002","16.677","0.011","17.954","0.011","90","","95.76","0.02","90","","1077.2","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H8 N10 O -","- C8 H8 N10 O -","- C32 H32 N40 O4 -","4","1","","Liu, Lei; Huang, Wengzhe; Yuan, Ye; Lu, Lu; Tang, Yongxing; Huang, Wei","Site-selective electrochemical synthesis of nitrogen-enriched bis-pyrazole derivatives: a sustainable approach for N–N versus NN bond formation","Green Chemistry","2025","27","14","3727","3732","10.1039/D4GC06597B","","x-ray","1.54178","CuKα","","0.1346","0.0715","","","0.1773","0.2104","","","","","","1.061","","","","has coordinates","301011","2025-07-06","17:21:46",""
"7250085","13.881","0.0005","11.8967","0.0004","14.0748","0.0005","90","","110.825","0.001","90","","2172.44","0.13","170","","170","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O6 S2 -","- C22 H22 N2 O6 S2 -","- C88 H88 N8 O24 S8 -","4","1","","Yang, Luyao; Ying, Jialuo; Zheng, Hao; Xu, Yuyan; Wu, Liping; Chen, Zhiwei","Photo-promoted radical cascade cyclization of 4-(allylamino)-3-cyanocoumarins: access to sulfonylated pyrido[3,2-c]coumarin derivatives","Green Chemistry","2025","27","13","3524","3531","10.1039/D4GC06598K","","","0.71073","MoKα","","0.0702","0.0498","","","0.0951","0.1055","","","","","","1.121","","","","has coordinates","301008","2025-07-06","17:21:09",""
"7250087","14.0115","0.0015","7.1139","0.0007","24.401","0.003","90","","102.624","0.004","90","","2373.4","0.5","160","","160","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N6 -","- C30 H18 N6 -","- C120 H72 N24 -","4","1","","Nakada, Kazushi; Richards, Gary J.; Hori, Akiko","Yellow and red polymorphic co-crystals of phenyl-substituted pyrazinacene and naphthalene via π-hole⋯π interactions","CrystEngComm","2025","27","14","2064","2069","10.1039/D5CE00114E","","","0.71073","MoKα","","0.0633","0.0483","","","0.117","0.128","","","","","","1.041","","","","has coordinates","298845","2025-04-05","02:36:21",""
"7250088","12.312","0.006","7.042","0.004","26.902","0.013","90","","98.74","0.017","90","","2305","2","160","","160","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 N6 -","- C30 H18 N6 -","- C120 H72 N24 -","4","1","","Nakada, Kazushi; Richards, Gary J.; Hori, Akiko","Yellow and red polymorphic co-crystals of phenyl-substituted pyrazinacene and naphthalene via π-hole⋯π interactions","CrystEngComm","2025","27","14","2064","2069","10.1039/D5CE00114E","","","0.71073","MoKα","","0.0911","0.0647","","","0.1365","0.1493","","","","","","1.076","","","","has coordinates","298845","2025-04-05","02:36:21",""
"7250089","9.4872","0.0013","7.4956","0.001","12.2757","0.0016","90","","104.888","0.002","90","","843.6","0.2","90","2","90","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TDBBF_1","","","- C20 H16 Br2 Fe2 -","- C20 H16 Br2 Fe2 -","- C40 H32 Br4 Fe4 -","2","0.5","","Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki","Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts","CrystEngComm","2025","27","15","2371","2381","10.1039/D5CE00076A","","","0.71073","MoKα","","0.0289","0.026","","","0.0692","0.0704","","","","","","1.052","","","","has coordinates","300725","2025-07-06","15:11:04",""
"7250090","9.018","0.008","10.319","0.009","10.748","0.01","90","","90","","90","","1000.2","1.6","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","FcBrCN","","","- C11 H8 Br Fe N -","- C11 H8 Br Fe N -","- C44 H32 Br4 Fe4 N4 -","4","1","","Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki","Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts","CrystEngComm","2025","27","15","2371","2381","10.1039/D5CE00076A","","","0.71073","MoKα","","0.0212","0.02","","","0.0496","0.05","","","","","","1.079","","","","has coordinates","300725","2025-07-06","15:11:05",""
"7250091","14.684","0.002","11.6577","0.0019","18.755","0.003","90","","108.41","0.002","90","","3046.2","0.8","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C20 H16 Br2 Fe2 I7 -","- C20 H16 Br2 Fe2 I7 -","- C80 H64 Br8 Fe8 I28 -","4","1","","Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki","Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts","CrystEngComm","2025","27","15","2371","2381","10.1039/D5CE00076A","","","0.71073","MoKα","","0.0358","0.0293","","","0.0463","0.0479","","","","","","0.963","","","","has coordinates","300725","2025-07-06","15:11:05",""
"7250092","13.194","0.003","14.16","0.003","18.352","0.004","90","","90","","90","","3428.6","1.3","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TDBBF_R_3_90K","","","- C20 H16 Br2 Fe2 -","- C20 H16 Br2 Fe2 -","- C160 H128 Br16 Fe16 -","8","1","","Horikoshi, Ryo; Inoue, Ryota; Sumitani, Ryo; Takahashi, Kazuyuki; Mochida, Tomoyuki","Synthesis and structural characterization of the racemic and meso forms of 2,2′′-dibromo-1,1′′-biferrocenes and their mixed-valence salts","CrystEngComm","2025","27","15","2371","2381","10.1039/D5CE00076A","","","0.71073","MoKα","","0.0596","0.0339","","","0.0671","0.074","","","","","","1.003","","","","has coordinates","300725","2025-07-06","15:11:05",""
"7250093","17.9766","0.0019","5.7375","0.0005","18.7841","0.0018","90","","93.907","0.004","90","","1932.9","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","phenylbutazone solvate with acetonitrile","","- C21 H23 N3 O2 -","- C21 H23 N3 O2 -","- C84 H92 N12 O8 -","4","1","","Gabdulkhaev, Mukhammet N.; Simdyanova, Anastasia V.; Bolmatenkov, Dmitrii N.; Gubaidullin, Aidar T.; Mukhametzyanov, Timur A.; Ziganshin, Marat A.; Gorbatchuk, Valery V.","New approach for preparation of metastable phenylbutazone polymorphs","CrystEngComm","2025","27","16","2490","2501","10.1039/D5CE00094G","","","0.71073","MoKα","","0.1794","0.1394","","","0.2782","0.2957","","","","","","1.145","","","","has coordinates,has disorder","300708","2025-07-06","15:06:21",""
"7250094","16.215","0.001","5.9581","0.0004","17.4194","0.0012","90","","92.782","0.002","90","","1680.92","0.19","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-hydroxy-phenylbutazone","","- C19 H20 N2 O3 -","- C19 H20 N2 O3 -","- C76 H80 N8 O12 -","4","1","","Gabdulkhaev, Mukhammet N.; Simdyanova, Anastasia V.; Bolmatenkov, Dmitrii N.; Gubaidullin, Aidar T.; Mukhametzyanov, Timur A.; Ziganshin, Marat A.; Gorbatchuk, Valery V.","New approach for preparation of metastable phenylbutazone polymorphs","CrystEngComm","2025","27","16","2490","2501","10.1039/D5CE00094G","","","0.71073","MoKα","","0.0555","0.0441","","","0.1138","0.1223","","","","","","1.016","","","","has coordinates","300708","2025-07-06","15:06:22",""
"7250095","7.4586","0.0006","5.8956","0.0005","11.3644","0.0009","90","","112.375","0.003","90","","462.1","0.07","274","2","274","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- K Se2 Zn1.51 -","- K Se2 Zn1.5145 -","- K4 Se8 Zn6.058 -","4","1","","Wang, Kuan-Lin; Lin, Cai-Fei; Cheng, Chin; Huang, Tzu-Chi; Lin, Bi-Hsuan; Xie, Yu-Lin; Wang, Bo-Yuan; Kung, Jennifer; Lin, Kuang-I; Hsu, Kuei-Fang","Zinc selenide stabilized in a quadrilateral network characterized with optical emissions","CrystEngComm","2025","27","16","2483","2489","10.1039/D4CE01251H","","","0.71073","MoKα","","0.0823","0.0611","","","0.1222","0.1337","","","","","","1.086","","","","has coordinates","300702","2025-07-06","15:04:41",""
"7250096","7.462","0.0002","5.9687","0.0001","11.3465","0.0002","90","","112.251","0.001","90","","467.724","0.017","296","2","296","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","","","- K Mg0.23 Se2 Zn1.28 -","- K Mg0.232 Se2 Zn1.278 -","- K4 Mg0.928 Se8 Zn5.112 -","4","1","","Wang, Kuan-Lin; Lin, Cai-Fei; Cheng, Chin; Huang, Tzu-Chi; Lin, Bi-Hsuan; Xie, Yu-Lin; Wang, Bo-Yuan; Kung, Jennifer; Lin, Kuang-I; Hsu, Kuei-Fang","Zinc selenide stabilized in a quadrilateral network characterized with optical emissions","CrystEngComm","2025","27","16","2483","2489","10.1039/D4CE01251H","","","0.71073","MoKα","","0.0134","0.0116","","","0.0245","0.0254","","","","","","1.144","","","","has coordinates","300702","2025-07-06","15:04:41",""
"7250097","9.6385","0.0019","7.4706","0.0015","7.7536","0.0016","90","","95.69","0.03","90","","555.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C6 H7 N2 -","- C6 H7 N2 -","- C24 H28 N8 -","4","1","","Zhao, Jiawei; Wang, Na; Zhou, Lina; Wang, Ting; Huang, Xin; Wang, Ailian; Zhang, Longgui; Hao, Hongxun","Mechanistic study on the crystal habit of 3,3′-diaminobenzidine in the presence of solvents and additives","CrystEngComm","2025","27","14","2204","2222","10.1039/D4CE01237B","","","0.71073","MoKα","","0.0924","0.056","","","0.1111","0.1258","","","","","","1.0455","","","","has coordinates","298846","2025-04-05","02:36:28",""
"7250098","7.9533","0.0011","33.455","0.004","8.0313","0.001","90","","90","","90","","2136.9","0.5","296.15","","296.15","","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C14 H18 Br6 Cd N2 -","- C14 H18 Br6 Cd N2 -","- C56 H72 Br24 Cd4 N8 -","4","0.5","","Zhang, Wanxu; Zheng, Yongzhuo; Liu, Mei; Wei, Wenqing; Wang, Juan; Guo, Fengwan","Enhancement of intrinsic luminescence by Sb3+ doped (C7H9N)2CdBr6 with lone pair 5s2 electrons","CrystEngComm","2025","27","18","2841","2847","10.1039/D5CE00031A","","","0.71073","MoKα","","0.0444","0.0332","","","0.0712","0.075","","","","","","1.047","","","","has coordinates","300728","2025-07-06","15:11:30",""
"7250099","7.8589","0.0008","33.063","0.003","7.9671","0.0008","90","","90","","90","","2070.2","0.4","100","","100","","","","","","","","","5","C c c 2","C 2 -2c","37","","","","- C14 H18 Br6 Cd N2 -","- C14 H18 Br6 Cd N2 -","- C56 H72 Br24 Cd4 N8 -","4","0.5","","Zhang, Wanxu; Zheng, Yongzhuo; Liu, Mei; Wei, Wenqing; Wang, Juan; Guo, Fengwan","Enhancement of intrinsic luminescence by Sb3+ doped (C7H9N)2CdBr6 with lone pair 5s2 electrons","CrystEngComm","2025","27","18","2841","2847","10.1039/D5CE00031A","","x-ray","0.71073","MoKα","","0.0352","0.031","","","0.0686","0.0703","","","","","","1.06","","","","has coordinates","300728","2025-07-06","15:11:31",""
"7250101","7.4675","0.0003","9.369","0.0004","14.5222","0.0006","90","","92.911","0.002","90","","1014.71","0.07","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C40 H48 N8 O16 -","4","1","","Vance, Susanna S. M.; Chatzisymeon, Efthalia; Morrison, Carole A.; Love, Jason B.","Recovering copper from e-waste: recyclable precipitation versus solvent extraction with carbon emission assessment","Green Chemistry","2025","27","14","3789","3804","10.1039/D4GC06466F","","","0.71073","MoKα","","0.0683","0.0523","","","0.1391","0.1564","","","","","","1.068","","","","has coordinates","301010","2025-07-06","17:21:39",""
"7250102","25.649","0.005","9.0726","0.0016","6.769","0.0014","90","","92.424","0.006","90","","1573.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N9 O2 -","- C3 H7 N9 O2 -","- C24 H56 N72 O16 -","8","2","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole","CrystEngComm","2025","27","16","2570","2576","10.1039/D5CE00030K","","","0.71073","MoKα","","0.1017","0.0887","","","0.2414","0.2572","","","","","","1.078","","","","has coordinates","300706","2025-07-06","15:06:06",""
"7250103","7.2861","0.0005","5.9922","0.0004","8.2491","0.0006","90","","97.669","0.002","90","","356.93","0.04","296","2","296","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C3 H5 N7 O3 -","- C3 H5 N7 O3 -","- C6 H10 N14 O6 -","2","0.5","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole","CrystEngComm","2025","27","16","2570","2576","10.1039/D5CE00030K","","","0.71073","MoKα","","0.0507","0.041","","","0.1006","0.1067","","","","","","1.083","","","","has coordinates","300706","2025-07-06","15:06:06",""
"7250104","7.7908","0.001","15.457","0.002","7.2605","0.0011","90","","114.635","0.004","90","","794.75","0.19","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N9 O2 -","- C3 H7 N9 O2 -","- C12 H28 N36 O8 -","4","1","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole","CrystEngComm","2025","27","16","2570","2576","10.1039/D5CE00030K","","","0.71073","MoKα","","0.0769","0.05","","","0.1125","0.1225","","","","","","1.075","","","","has coordinates","300706","2025-07-06","15:06:06",""
"7250105","3.8698","0.0002","8.331","0.0005","11.6487","0.0008","90","","95.015","0.002","90","","374.11","0.04","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C3 H6 N8 O2 -","- C3 H6 N8 O2 -","- C6 H12 N16 O4 -","2","1","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole","CrystEngComm","2025","27","16","2570","2576","10.1039/D5CE00030K","","","0.71073","MoKα","","0.0371","0.0322","","","0.0728","0.0758","","","","","","1.109","","","","has coordinates","300706","2025-07-06","15:06:06",""
"7250106","6.5314","0.0004","25.0039","0.0017","9.2895","0.0006","90","","90","","90","","1517.07","0.17","296","2","296","2","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C3 H8 N10 O -","- C3 H8 N10 O -","- C24 H64 N80 O8 -","8","0.5","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole","CrystEngComm","2025","27","16","2570","2576","10.1039/D5CE00030K","","","0.71073","MoKα","","0.081","0.0743","","","0.1669","0.172","","","","","","1.06","","","","has coordinates","300706","2025-07-06","15:06:06",""
"7250107","9.2271","0.0012","14.2917","0.0017","6.4999","0.0008","90","","101.078","0.004","90","","841.18","0.18","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H9 N9 O2 -","- C3 H9 N9 O2 -","- C12 H36 N36 O8 -","4","1","","Yang, Feng; Jiang, Shuaijie; Xu, Yuangang; Wang, Quan; He, Zhiwei; Lu, Ming","Constructing an energetic hydroxytetrazole with high thermal stability by linking aminotriazole to 1-hydroxytetrazole","CrystEngComm","2025","27","16","2570","2576","10.1039/D5CE00030K","","","0.71073","MoKα","","0.0738","0.0535","","","0.143","0.1554","","","","","","1.056","","","","has coordinates","300706","2025-07-06","15:06:07",""
"7250108","10.777847","0.000009","10.777847","0.000009","37.81681","0.00003","90","","90","","120","","3804.34","0.005","290","","290","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","Ca10Ni0.5V7O28","- Ca10 Ni0.5 O28 V7 -","- Ca10.049 Ni0.451 O28 V7 -","- Ca60.294 Ni2.706 O168 V42 -","6","0.333333","","Rahimi Mosafer, Houri S.; Sánchez-Martín, Josu; Errandonea, Daniel; Turnbull, Robin; Ibáñez-Insa, Jordi; Oliva, Robert; Fitch, Andrew; Popescu, Catalin; Kozłowski, Mirosław; Martin, Christine; Maximenko, Alexey; Wolska, Anna; Klepka, Marcin; Minikayev, Roman; Paszkowicz, Wojciech","Exploring thermal and elastic properties of Ca10Ni0.5(VO4)7: a study involving the use of synchrotron radiation facilities","CrystEngComm","2025","27","15","2343","2353","10.1039/D4CE01033G","powder diffraction","","0.354207","?synchrotron?","","","","","","","","","8.0023","3.06","","","","","","","has coordinates","300724","2025-07-06","15:10:54",""
"7250109","10.754139","0.00001","10.754139","0.00001","37.72676","0.00004","90","","90","","120","","3778.6","0.006","50","","50","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","","Ca10Ni0.5V7O28","- Ca10 Ni0.5 O28 V7 -","- Ca10.065 Ni0.435 O28 V7 -","- Ca60.39 Ni2.61 O168 V42 -","6","0.333333","","Rahimi Mosafer, Houri S.; Sánchez-Martín, Josu; Errandonea, Daniel; Turnbull, Robin; Ibáñez-Insa, Jordi; Oliva, Robert; Fitch, Andrew; Popescu, Catalin; Kozłowski, Mirosław; Martin, Christine; Maximenko, Alexey; Wolska, Anna; Klepka, Marcin; Minikayev, Roman; Paszkowicz, Wojciech","Exploring thermal and elastic properties of Ca10Ni0.5(VO4)7: a study involving the use of synchrotron radiation facilities","CrystEngComm","2025","27","15","2343","2353","10.1039/D4CE01033G","powder diffraction","","0.354207","synchrotron","","","","","","","","","7.4933","2.54","","","","","","","has coordinates","300724","2025-07-06","15:10:55",""
"7250110","19.1222","0.0009","8.7885","0.0004","14.5433","0.0007","90","","90","","90","","2444.1","0.2","293","2","293","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9 H11 Cu I N S2 -","- C9 H11 Cu I N S2 -","- C72 H88 Cu8 I8 N8 S16 -","8","1","","Mishra, Anrudh; Pandey, Dilip; Maurya, Sarvesh Kumar; Raghuvanshi, Abhinav","Sunlight-driven photocatalytic degradation of organic dyes using Cu(i) coordination polymers: an efficient and recyclable solution for wastewater remediation","CrystEngComm","2025","27","16","2462","2469","10.1039/D5CE00124B","","","0.71073","MoKα","","0.0341","0.0304","","","0.0774","0.0809","","","","","","0.853","","","","has coordinates","300707","2025-07-06","15:06:14",""
"7250111","18.7689","0.0004","8.6676","0.0003","14.2353","0.0004","90","","90","","90","","2315.82","0.11","298","","298","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C9 H11 Br Cu N S2 -","- C9 H11 Br Cu N S2 -","- C72 H88 Br8 Cu8 N8 S16 -","8","1","","Mishra, Anrudh; Pandey, Dilip; Maurya, Sarvesh Kumar; Raghuvanshi, Abhinav","Sunlight-driven photocatalytic degradation of organic dyes using Cu(i) coordination polymers: an efficient and recyclable solution for wastewater remediation","CrystEngComm","2025","27","16","2462","2469","10.1039/D5CE00124B","","x-ray","0.71073","MoKα","","0.0568","0.0342","","","0.0769","0.0879","","","","","","1.064","","","","has coordinates","300707","2025-07-06","15:06:15",""
"7250112","19.6964","0.0007","17.1246","0.0006","12.4454","0.0004","90","","89.952","0.003","90","","4197.7","0.2","293","","293","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H46 Cl4 N4 O12 Tb2 -","- C30 H46 Cl4 N4 O12 Tb2 -","- C120 H184 Cl16 N16 O48 Tb8 -","4","0.5","","Cao, Lin-Bo; Wang, Hao; Wang, Tian-Tian; Sun, Wen-Bin","Fluorescence quenching-based sensing of ofloxacin using dual-nuclear terbium complex","CrystEngComm","2025","27","15","2366","2370","10.1039/D5CE00165J","","x-ray","0.71073","MoKα","","0.0326","0.0249","","","0.0543","0.0568","","","","","","1.045","","","","has coordinates","300723","2025-07-06","15:10:38",""
"7250113","8.5168","0.0001","11.751","0.0002","14.3094","0.0003","110.381","0.002","91.88","0.002","94.517","0.002","1335.49","0.04","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","EG-2MIE","","- C13 H16 N2 O5 -","- C13 H16 N2 O5 -","- C52 H64 N8 O20 -","4","2","","Pan, Ziqi; Zhang, Menglong; Hou, Xinyu; Yang, Huiwen; Rong, Hua; Song, Haibin; Zhang, Yong; Chen, Wei; Wu, Songgu","Improvement of humidity stability of ethyl gallate by the cocrystal strategy and study of dissolution behavior of the cocrystal","CrystEngComm","2025","27","16","2577","2590","10.1039/D5CE00174A","","","1.54184","CuKα","","0.0464","0.0452","","","0.1299","0.1312","","","","","","1.061","","","","has coordinates,has disorder","300703","2025-07-06","15:04:49",""
"7250114","7.0043","0.0002","11.7986","0.0003","14.0615","0.0004","79.478","0.002","83.701","0.002","82.92","0.002","1129.27","0.05","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","EG-Hydrate","","- C9 H15 O7.5 -","- C9 H15 O7.5 -","- C36 H60 O30 -","4","2","","Pan, Ziqi; Zhang, Menglong; Hou, Xinyu; Yang, Huiwen; Rong, Hua; Song, Haibin; Zhang, Yong; Chen, Wei; Wu, Songgu","Improvement of humidity stability of ethyl gallate by the cocrystal strategy and study of dissolution behavior of the cocrystal","CrystEngComm","2025","27","16","2577","2590","10.1039/D5CE00174A","","x-ray","1.54184","CuKα","","0.034","0.0323","","","0.0906","0.0919","","","","","","1.06","","","","has coordinates","300703","2025-07-06","15:04:49",""
"7250115","6.8673","0.0007","11.7052","0.0011","17.4705","0.0014","90","","92.559","0.008","90","","1402.9","0.2","222.97","0.1","222.97","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","FYX-HCl-H2O","","- C13 H11 Cl N6 O -","- C13 H11 Cl N6 O -","- C52 H44 Cl4 N24 O4 -","4","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","27","16","2534","2544","10.1039/D5CE00073D","","x-ray","0.71073","MoKα","","0.1026","0.0613","","","0.1327","0.1703","","","","","","1.061","","","","has coordinates","300701","2025-07-06","15:04:33",""
"7250116","25.4485","0.0008","12.9002","0.0005","4.46615","0.00012","90","","90","","90","","1466.2","0.08","273","0.1","273","0.1","","","","","","","","5","P n n 2","P 2 -2n","34","","FYX–H2SO4 II","","- C13 H10 N6 O4 S -","- C13 H10 N6 O4 S -","- C52 H40 N24 O16 S4 -","4","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","27","16","2534","2544","10.1039/D5CE00073D","","x-ray","1.54184","CuKα","","0.0448","0.0414","","","0.1197","0.1224","","","","","","1.082","","","","has coordinates","300701","2025-07-06","15:04:33",""
"7250117","3.8498","0.0012","12.368","0.003","12.116","0.004","90","","96.377","0.013","90","","573.3","0.3","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","FYX I","","- C13 H8 N6 -","- C13 H8 N6 -","- C26 H16 N12 -","2","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","27","16","2534","2544","10.1039/D5CE00073D","","","1.34139","GaKα","","0.0873","0.0748","","","0.1896","0.1979","","","","","","1.149","","","","has coordinates","300701","2025-07-06","15:04:33",""
"7250118","12.6047","0.0013","25.471","0.003","4.4874","0.0005","90","","90","","90","","1440.7","0.3","150","","150","","","","","","","","","5","P n n 2","P 2 -2n","34","","FYX-H2SO4 II","","- C13 H10 N6 O4 S -","- C13 H10 N6 O4 S -","- C52 H40 N24 O16 S4 -","4","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","27","16","2534","2544","10.1039/D5CE00073D","","","1.34139","GaKα","","0.0372","0.0347","","","0.088","0.0896","","","","","","1.059","","","","has coordinates","300701","2025-07-06","15:04:33",""
"7250119","8.6846","0.0003","17.1907","0.0005","9.6432","0.0003","90","","92.371","0.001","90","","1438.44","0.08","223","","223","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","FYX-H2SO4 I","","- C13 H10 N6 O4 S -","- C13 H10 N6 O4 S -","- C52 H40 N24 O16 S4 -","4","1","","Li, Jiangying; Ma, Haowen; Shi, Xiaoju; Jiao, Ting; Wang, Lin; Nie, Meiling; Wang, Xiaojuan; Deng, Zongwu; Zhang, Hailu","Inorganic salts of topiroxostat: metastable tautomeric form and improved pharmaceutical performance","CrystEngComm","2025","27","16","2534","2544","10.1039/D5CE00073D","","","0.71073","MoKα","","0.0566","0.0435","","","0.0923","0.1056","","","","","","1.165","","","","has coordinates","300701","2025-07-06","15:04:33",""
"7250127","10.2159","0.0006","11.9887","0.0004","12.2929","0.0005","86.478","0.003","89.905","0.004","83.462","0.004","1492.94","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H28 Fe N10 O15.5 -","- C21 H28 Fe N10 O15.5 -","- C42 H56 Fe2 N20 O31 -","2","1","","Danilescu, Olga; Bourosh, Paulina; Bulhac, Ion; Kulikova, Olga; Cocu, Maria; Chumakov, Yurii","Mononuclear high-spin Fe(iii) complexes: synthesis, crystal structures, magnetic and optical properties","CrystEngComm","2025","27","19","3006","3017","10.1039/D5CE00125K","","","0.71073","MoKα","","0.0587","0.0463","","","0.1217","0.132","","","","","","1.003","","","","has coordinates","300699","2025-07-06","15:03:47",""
"7250128","13.4972","0.0005","16.7467","0.0007","17.1179","0.0006","89.179","0.003","71.646","0.003","70.421","0.004","3442","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H28 Cl3 Fe N7 O18.5 -","- C21 H28 Cl3 Fe N7 O18.5 -","- C84 H112 Cl12 Fe4 N28 O74 -","4","2","","Danilescu, Olga; Bourosh, Paulina; Bulhac, Ion; Kulikova, Olga; Cocu, Maria; Chumakov, Yurii","Mononuclear high-spin Fe(iii) complexes: synthesis, crystal structures, magnetic and optical properties","CrystEngComm","2025","27","19","3006","3017","10.1039/D5CE00125K","","","0.71073","MoKα","","0.1326","0.0902","","","0.2655","0.3042","","","","","","1.005","","","","has coordinates,has disorder","300699","2025-07-06","15:03:47",""
"7250129","7.9903","0.0004","11.0983","0.0004","18.2204","0.0009","92.71","0.004","99.636","0.004","103.104","0.004","1545.36","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H28 O3 -","- C41 H28 O3 -","- C82 H56 O6 -","2","1","","Shehayeb, Elissa O.; Assoud, Abdeljalil; Au, Vonika Ka-Man","Aldehyde-based triphenylethylene organic crystals for aniline vapour detection","CrystEngComm","2025","27","16","2470","2476","10.1039/D5CE00022J","","","0.71073","MoKα","","0.0854","0.0681","","","0.1461","0.1525","","","","","","1.236","","","","has coordinates","300710","2025-07-06","15:07:14",""
"7250132","14.586","0.0003","14.586","0.0003","17.4069","0.0003","90","","90","","120","","3207.19","0.11","99.99","0.1","99.99","0.1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C9 H24 F3 La O18 -","- C9 H24 F3 La O18 -","- C54 H144 F18 La6 O108 -","6","0.333333","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0321","0.0314","","","0.08","0.0805","","","","","","1.083","","","","has coordinates","300709","2025-07-06","15:07:06",""
"7250133","12.011","0.002","26.422","0.005","10.489","0.002","90","","108.86","0.03","90","","3150","1.1","100","2","100.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15.5 Br5 La N2 O11.75 -","- C27 H12 Br5 La N2 O10 -","- C108 H48 Br20 La4 N8 O40 -","4","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","","0.710917","Synchrotron","","0.0746","0.0605","","","0.1583","0.171","","","","","","1.038","","","","has coordinates","300709","2025-07-06","15:07:06",""
"7250134","11.8532","0.0002","26.2857","0.0004","10.5597","0.0002","90","","107.882","0.002","90","","3131.14","0.1","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Cl5 La N2 O13 -","- C27 H16 Cl5 La N2 O12 -","- C108 H64 Cl20 La4 N8 O48 -","4","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0409","0.0375","","","0.0896","0.091","","","","","","1.045","","","","has coordinates","300709","2025-07-06","15:07:06",""
"7250135","10.8019","0.0004","12.6028","0.0005","13.3338","0.0005","109.799","0.003","90.154","0.003","108.366","0.003","1608.68","0.12","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C28 H24 Br4 La N O11 -","- C28 H24 Br4 La N O11 -","- C56 H48 Br8 La2 N2 O22 -","2","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.1037","0.1017","","","0.2876","0.2919","","","","","","1.37","","","","has coordinates,has disorder","300709","2025-07-06","15:07:06",""
"7250136","11.7957","0.0003","26.311","0.0005","10.5813","0.0003","90","","108.089","0.003","90","","3121.67","0.14","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Cl5 La N2 O13 -","- C27 H18 Cl5 La N2 O13 -","- C108 H72 Cl20 La4 N8 O52 -","4","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0582","0.0494","","","0.1311","0.138","","","","","","1.142","","","","has coordinates","300709","2025-07-06","15:07:06",""
"7250137","10.7111","0.0003","11.8605","0.0004","13.2161","0.0004","97.055","0.002","94.584","0.002","107.293","0.003","1578.87","0.09","101","2","101","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H28 Br4 La N O19 -","- C19 H24 Br4 La N O19 -","- C38 H48 Br8 La2 N2 O38 -","2","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0399","0.0382","","","0.1057","0.107","","","","","","1.118","","","","has coordinates,has disorder","300709","2025-07-06","15:07:06",""
"7250138","13.0706","0.0002","13.8311","0.0002","18.0949","0.0002","92.541","0.001","90.289","0.001","101.008","0.001","3207.56","0.08","99.98","0.1","99.98","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C46 H50 Cl8 La2 N6 O29 -","- C46 H50 Cl8 La2 N6 O29 -","- C92 H100 Cl16 La4 N12 O58 -","2","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0481","0.0463","","","0.1276","0.1294","","","","","","1.049","","","","has coordinates","300709","2025-07-06","15:07:06",""
"7250139","10.7781","0.0004","11.4423","0.0004","12.9249","0.0004","103.513","0.003","94.393","0.003","106.749","0.003","1466.26","0.1","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C25 H22 Cl4 La N O12 -","- C25 H22 Cl4 La N O12 -","- C50 H44 Cl8 La2 N2 O24 -","2","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0404","0.0381","","","0.1016","0.1038","","","","","","1.0331","","","","has coordinates,has disorder","300709","2025-07-06","15:07:06",""
"7250140","12.1099","0.0001","26.346","0.0002","10.5165","0.0001","90","","108.823","0.001","90","","3175.82","0.05","99.99","0.1","99.99","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H18 Br5 La N2 O13 -","- C27 H12 Br5 La N2 O13 -","- C108 H48 Br20 La4 N8 O52 -","4","1","","Feng, Yuying; Hua, Carol; van Koeverden, Martin P.","The effect of viologen counterions on the topologies of La(iii)–tetraoxolene metal–organic frameworks","CrystEngComm","2025","27","16","2559","2569","10.1039/D5CE00026B","","x-ray","1.54184","CuKα","","0.0263","0.0259","","","0.0637","0.064","","","","","","1.0592","","","","has coordinates","300709","2025-07-06","15:07:06",""
"7250141","10.7076","0.0003","15.1774","0.0007","24.6897","0.0008","90","","101.81","0.002","90","","3927.5","0.2","100","","100","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H80 Ag2 B6 F16 N28 -","- C68 H80 Ag2 B6 F16 N28 -","- C136 H160 Ag4 B12 F32 N56 -","2","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0362","0.0339","","","0.093","0.0944","","","","","","1.043","","","","has coordinates,has disorder","300693","2025-07-06","15:00:03",""
"7250142","10.7065","0.0003","15.4255","0.0003","24.8186","0.0005","90","","100.862","0.002","90","","4025.43","0.16","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C68 H80 Ag2 B4 F20 N28 P2 -","- C68 H80 Ag2 B4 F20 N28 P2 -","- C136 H160 Ag4 B8 F40 N56 P4 -","2","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0539","0.0456","","","0.1141","0.1191","","","","","","1.035","","","","has coordinates,has disorder","300693","2025-07-06","15:00:03",""
"7250143","11.8538","0.0004","12.0482","0.0004","14.9556","0.0005","84.711","0.003","70.296","0.003","72.827","0.003","1921.14","0.12","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C67 H84 Ag2 B6 F16 N24 O2 -","- C67 H84 Ag2 B6 F16 N24 O2 -","- C67 H84 Ag2 B6 F16 N24 O2 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0572","0.0497","","","0.1221","0.1288","","","","","","1.112","","","","has coordinates,has disorder","300693","2025-07-06","15:00:03",""
"7250144","4.8187","0.001","18.098","0.004","20.308","0.004","77.995","0.006","89.089","0.006","85.412","0.006","1726.8","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H68 Ag2 B4 F12 N24 O4 P2 -","- C60 H68 Ag2 B4 F12 N24 O4 P2 -","- C60 H68 Ag2 B4 F12 N24 O4 P2 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","","0.71073","MoKα","","0.1026","0.0513","","","0.0982","0.1139","","","","","","0.994","","","","has coordinates","300693","2025-07-06","15:00:03",""
"7250145","9.1775","0.0008","10.1075","0.0008","43.74","0.004","95.436","0.006","94.643","0.007","92.586","0.007","4020.2","0.6","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H70 Ag5 B4 F18 N24 O11 P5 -","- C60 H70 Ag5 B4 F18 N24 O11 P5 -","- C120 H140 Ag10 B8 F36 N48 O22 P10 -","2","1","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.1466","0.1189","","","0.2599","0.2799","","","","","","1.054","","","","has coordinates","300693","2025-07-06","15:00:03",""
"7250146","11.3667","0.0004","16.8858","0.0005","16.9432","0.0006","61.779","0.002","85.708","0.003","74.541","0.002","2756.75","0.17","100","","100","","","","","","","","","7","P -1","-P 1","2","","","","- C90 H102 Ag2 B6 F24 N36 P2 -","- C90 H102 Ag2 B6 F24 N36 P2 -","- C90 H102 Ag2 B6 F24 N36 P2 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0639","0.053","","","0.1341","0.1418","","","","","","1.029","","","","has coordinates","300693","2025-07-06","15:00:03",""
"7250147","9.2212","0.0003","10.1196","0.0003","43.8086","0.0017","95.07","0.003","94.753","0.003","92.657","0.003","4052.1","0.2","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H70 Ag5 B4 Cl5 F8 N24 O21 -","- C60 H70 Ag5 B4 Cl5 F8 N24 O21 -","- C120 H140 Ag10 B8 Cl10 F16 N48 O42 -","2","1","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","0.71073","MoKα","","0.1733","0.0828","","","0.2262","0.2625","","","","","","0.919","","","","has coordinates","300693","2025-07-06","15:00:04",""
"7250148","4.9084","0.0002","18.173","0.0007","20.2142","0.0007","77.493","0.003","89.044","0.003","83.528","0.003","1749.05","0.12","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C60 H68 Ag2 B4 Cl2 F8 N24 O8 -","- C60 H68 Ag2 B4 Cl2 F8 N24 O8 -","- C60 H68 Ag2 B4 Cl2 F8 N24 O8 -","1","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.052","0.0501","","","0.1351","0.1379","","","","","","1.037","","","","has coordinates","300693","2025-07-06","15:00:04",""
"7250149","10.7497","0.0004","15.1327","0.0004","24.7495","0.0007","90","","101.452","0.002","90","","3945.9","0.2","100","","100","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C68 H80 Ag2 B4 Cl2 F8 N28 O8 -","- C68 H80 Ag2 B4 Cl2 F8 N28 O8 -","- C136 H160 Ag4 B8 Cl4 F16 N56 O16 -","2","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0373","0.0345","","","0.0949","0.0963","","","","","","1.062","","","","has coordinates","300693","2025-07-06","15:00:04",""
"7250150","9.2292","0.0003","24.4944","0.001","17.7165","0.0005","90","","90","","90","","4005.1","0.2","100","","100","","","","","","","","","8","P n m a","-P 2ac 2n","62","","","","- C34 H40 Ag B2 F4 N14 O4 Re -","- C34 H40 Ag B2 F4 N14 O4 Re -","- C136 H160 Ag4 B8 F16 N56 O16 Re4 -","4","0.5","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0713","0.0632","","","0.1724","0.1819","","","","","","1.049","","","","has coordinates","300693","2025-07-06","15:00:04",""
"7250151","21.2429","0.0008","18.7393","0.0006","9.1588","0.0004","90","","93.488","0.003","90","","3639.2","0.2","100","","100","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Ag2 B2 F4 N14 O6 -","- C30 H34 Ag2 B2 F4 N14 O6 -","- C120 H136 Ag8 B8 F16 N56 O24 -","4","1","","Schöbinger, Matthias; Huber, Martin; Stöger, Berthold; Hametner, Christian; Weinberger, Peter","Structural tuning of tetrazole-BODIPY Ag(i) coordination compounds <i>via</i> co-ligand addition and counterion variation.","CrystEngComm","2025","27","17","2689","2697","10.1039/d5ce00197h","","x-ray","1.54186","CuKα","","0.0706","0.056","","","0.1468","0.1593","","","","","","1.051","","","","has coordinates","300693","2025-07-06","15:00:04",""
"7250152","7.3962","0.0003","7.7483","0.0003","10.1053","0.0003","74.404","0.003","72.51","0.003","75.828","0.003","523.46","0.04","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C14 H32 N2 O8 S2 -","- C14 H32 N2 O8 S2 -","- C14 H32 N2 O8 S2 -","1","0.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0308","0.0306","","","0.0884","0.0887","","","","","","1.0517","","","","has coordinates","300694","2025-07-06","15:02:11",""
"7250153","10.586","0.0003","11.312","0.0004","11.39","0.0004","68.084","0.003","66.508","0.003","64.091","0.003","1091.91","0.07","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C38 H46 F4 I2 N6 O14 -","- C38 H46 F4 I2 N6 O14 -","- C38 H46 F4 I2 N6 O14 -","1","0.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.068","0.0674","","","0.1793","0.1798","","","","","","1.0417","","","","has coordinates","300694","2025-07-06","15:02:11",""
"7250154","8.5145","0.0002","14.7946","0.0003","10.0414","0.0002","90","","104.389","0.002","90","","1225.22","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 N4 O6 S4 -","- C16 H32 N4 O6 S4 -","- C32 H64 N8 O12 S8 -","2","0.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0329","0.0313","","","0.0844","0.0861","","","","","","1.0475","","","","has coordinates","300694","2025-07-06","15:02:11",""
"7250155","7.543","0.0001","11.822","0.0001","20.072","0.0002","90","","99.41","0.001","90","","1765.8","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H46 N6 O14 -","- C32 H46 N6 O14 -","- C64 H92 N12 O28 -","2","0.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0403","0.0365","","","0.0934","0.0962","","","","","","1.0273","","","","has coordinates","300694","2025-07-06","15:02:11",""
"7250156","10.146","0.0002","14.144","0.0004","14.505","0.0003","91.7","0.0019","105.501","0.0019","101.171","0.002","1960.51","0.08","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C22 H40 N2 O6 S2 -","- C22 H40 N2 O6 S2 -","- C66 H120 N6 O18 S6 -","3","1.5","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0449","0.0416","","","0.1125","0.1159","","","","","","1.0253","","","","has coordinates,has disorder","300694","2025-07-06","15:02:11",""
"7250157","8.382","0.0001","11.492","0.0002","19.223","0.0003","86.229","0.002","80.13","0.001","84.865","0.002","1814.54","0.05","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H46 N6 O14 -","- C32 H46 N6 O14 -","- C64 H92 N12 O28 -","2","1","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0664","0.06","","","0.1544","0.1588","","","","","","1.0473","","","","has coordinates","300694","2025-07-06","15:02:11",""
"7250158","8.189","0.0001","14.73","0.0001","21.856","0.0002","90","","90.56","0.001","90","","2636.23","0.04","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 N2 O7 S2 -","- C22 H42 N2 O7 S2 -","- C88 H168 N8 O28 S8 -","4","1","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0343","0.0319","","","0.0808","0.0826","","","","","","1.0311","","","","has coordinates,has disorder","300694","2025-07-06","15:02:11",""
"7250159","11.5","0.0001","16.761","0.0002","19.589","0.0002","104.953","0.001","91.171","0.001","95.137","0.001","3629.58","0.07","99.98","0.11","99.98","0.11","","","","","","","","4","P -1","-P 1","2","","","","- C32 H46 N6 O14 -","- C32 H46 N6 O14 -","- C128 H184 N24 O56 -","4","2","","Winson, Cinu; Kandasamy, Saravanan; Divya, Indira S.; Wozniak, Krzysztof; Varughese, Sunil","Polymorphs and stoichiometric variants of crown ether-based molecular complexes: exploring the landscape of conformational flexibility and supramolecular interactions","CrystEngComm","2025","27","17","2698","2710","10.1039/D5CE00025D","","x-ray","1.54184","CuKα","","0.0487","0.0455","","","0.1465","0.15","","","","","","1.0377","","","","has coordinates","300694","2025-07-06","15:02:11",""
"7250160","9.5658","0.0008","8.2756","0.0005","22.671","0.002","90","","99.436","0.009","90","","1770.4","0.2","120","0.4","120","0.4","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N3 O4 -","- C19 H21 N3 O4 -","- C76 H84 N12 O16 -","4","1","","Arteaga Giraldo, Juan J.; Söhnel, Tilo; Kilmartin, Paul A.; Sperry, Jonathan","Electrochemical oxidation–cyclocondensation of chitin-derived 3-acetamido-5-acetylfuran (3A5AF) for the synthesis of 3-acetyl-4-acetamidopyrrolin-2-ones","Green Chemistry","2025","27","16","4259","4266","10.1039/D4GC06067A","","x-ray","1.54184","CuKα","","0.1029","0.0823","","","0.1888","0.198","","","","","","1.2","","","","has coordinates","301004","2025-07-06","17:20:23",""
"7250161","10.0382","0.0002","10.0382","0.0002","7.9849","0.0002","90","","90","","120","","696.81","0.03","150","2","150","2","","","","","","","","5","P 63/m m c","-P 6c 2c","194","","","","- C6 H14 Cs I3 N2 -","- C6 H14 Cs I3 N2 -","- C12 H28 Cs2 I6 N4 -","2","0.0833333","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0244","0.0233","","","0.0522","0.0524","","","","","","1.293","","","","has coordinates","300705","2025-07-06","15:05:21",""
"7250162","16.3508","0.0002","16.3508","0.0002","21.9979","0.0002","90","","90","","120","","5093.19","0.1","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 H14 Br3 N2 Na -","- C6 H14 Br3 N2 Na -","- C108 H252 Br54 N36 Na18 -","18","0.5","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","1.54184","CuKα","","0.016","0.0159","","","0.0375","0.0375","","","","","","1.146","","","","has coordinates","300705","2025-07-06","15:05:23",""
"7250163","16.0388","0.0002","16.0388","0.0002","22.2094","0.0004","90","","90","","120","","4947.79","0.12","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 H14 Cl3 K N2 -","- C6 H14 Cl3 K N2 -","- C108 H252 Cl54 K18 N36 -","18","0.5","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0164","0.0159","","","0.0422","0.0424","","","","","","1.157","","","","has coordinates","300705","2025-07-06","15:05:30",""
"7250164","9.77","0.0001","9.77","0.0001","11.9653","0.0002","90","","90","","120","","989.11","0.02","150","2","150","2","","","","","","","","6","P 31 2 1","P 31 2""","152","","","","- C6 H14 Cl2 Cs I N2 -","- C6 H14 Cl2 Cs I N2 -","- C18 H42 Cl6 Cs3 I3 N6 -","3","0.5","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0186","0.0173","","","0.0354","0.0357","","","","","","1.037","","","","has coordinates","300705","2025-07-06","15:05:30",""
"7250165","9.8044","0.0002","9.8273","0.0003","27.3662","0.0007","90","","90","","90","","2636.75","0.12","150","2","150","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C6 H14 Br3 Cs N2 -","- C6 H14 Br3 Cs N2 -","- C48 H112 Br24 Cs8 N16 -","8","1","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0429","0.0344","","","0.0802","0.0832","","","","","","1.052","","","","has coordinates,has disorder","300705","2025-07-06","15:05:30",""
"7250166","16.5223","0.0003","16.5223","0.0003","23.0126","0.0006","90","","90","","120","","5440.5","0.2","150","2","150","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 H14 Br3 K N2 -","- C6 H14 Br3 K N2 -","- C108 H252 Br54 K18 N36 -","18","0.5","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0222","0.0198","","","0.0495","0.05","","","","","","1.064","","","","has coordinates","300705","2025-07-06","15:05:31",""
"7250167","9.6698","0.0007","9.6698","0.0007","12.2899","0.0009","90","","90","","120","","995.21","0.13","153","2","153","2","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C6 H14 I3 K N2 -","- C6 H14 I3 K N2 -","- C18 H42 I9 K3 N6 -","3","0.166667","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0693","0.0667","","","0.1542","0.1553","","","","","","1.296","","","","has coordinates","300705","2025-07-06","15:05:40",""
"7250168","15.8747","0.0001","15.8747","0.0001","21.1921","0.0002","90","","90","","120","","4625.04","0.06","149.98","0.1","149.98","0.1","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C6 H14 Cl3 N2 Na -","- C6 H14 Cl3 N2 Na -","- C108 H252 Cl54 N36 Na18 -","18","0.5","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","x-ray","1.54184","CuKα","","0.023","0.0226","","","0.0777","0.0781","","","","","","1.034","","","","has coordinates","300705","2025-07-06","15:05:41",""
"7250169","41.1638","0.0016","9.4899","0.0001","32.6647","0.0013","90","","131.638","0.007","90","","9536.4","1.2","149.99","0.1","149.99","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H56 Cl12 Cs4 N8 -","- C24 H56 Cl12 Cs4 N8 -","- C192 H448 Cl96 Cs32 N64 -","8","1","","van der Poll, Hendrik J.; Erasmus, Rudolph; Rademeyer, Melanie","Structures and band gaps of lead-free dabconium-containing hybrid alkali-metal halide perovskites","CrystEngComm","2025","27","16","2545","2558","10.1039/D4CE00907J","","","0.71073","MoKα","","0.0374","0.0295","","","0.0703","0.0735","","","","","","1.027","","","","has coordinates","300705","2025-07-06","15:05:50",""
"7250170","20.809","0.003","18.499","0.002","10.0983","0.0012","90","","95.989","0.006","90","","3866.1","0.8","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H41 O12 S4 -","- C38 H41 O12 S4 -","- C152 H164 O48 S16 -","4","0.5","","Lei, Min; Jiang, Lisha; Wang, Chunhui; Song, Jianxin; Liu, Wei; Qiu, Jie","A flexible molecular organic crystal with π–π bonding for the highly selective recognition of hydrogen isotopes","CrystEngComm","2025","27","16","2591","2599","10.1039/D5CE00221D","","","0.71073","MoKα","","0.1062","0.0772","","","0.1755","0.191","","","","","","1.117","","","","has coordinates,has disorder","300704","2025-07-06","15:04:56",""
"7250174","10.078","0.002","9.888","0.002","20.434","0.004","90","","101.85","0.03","90","","1992.9","0.7","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(5-(diphenylamino)-2-formylphenoxy)benzonitrile","","- C26 H18 N2 O2 -","- C26 H18 N2 O2 -","- C104 H72 N8 O8 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","27","17","2759","2766","10.1039/D4CE01317D","","","0.7","synchrotron","","0.0949","0.0574","","","0.1433","0.166","","","","","","1.034","","","","has coordinates","300691","2025-07-06","14:58:39",""
"7250175","7.684","0.0015","8.609","0.0017","19.253","0.004","87.9","0.03","89.11","0.03","78.07","0.03","1245.2","0.5","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","2-(2-((1,3-dimethyl-2,4,6-trioxotetrahydropyrimidin-5(2H)-ylidene)methyl)-5-(diphenylamino)phenoxy)benzonitrile","","- C32 H24 N4 O4 -","- C32 H24 N4 O4 -","- C64 H48 N8 O8 -","2","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","27","17","2759","2766","10.1039/D4CE01317D","","","0.63","synchrotron","","0.1113","0.102","","","0.31","0.3147","","","","","","1.104","","","","has coordinates","300691","2025-07-06","14:58:39",""
"7250176","7.518","0.0015","36.519","0.007","9.083","0.0018","90","","97.19","0.03","90","","2474.1","0.9","220","2","220","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","ethyl (E)-2-cyano-3-(2-(2-cyanophenoxy)-4-(diphenylamino) phenyl)acrylate","","- C31 H23 N3 O3 -","- C31 H23 N3 O3 -","- C124 H92 N12 O12 -","4","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","27","17","2759","2766","10.1039/D4CE01317D","","","0.7","synchrotron","","0.1111","0.0546","","","0.119","0.1413","","","","","","1.018","","","","has coordinates","300691","2025-07-06","14:58:39",""
"7250177","8.658","0.0017","10.746","0.002","13.271","0.003","76.39","0.03","74.05","0.03","83.35","0.03","1152.1","0.5","220","2","220","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-cyano-3-(2-(2-cyanophenoxy)-4-(diphenylamino) phenyl)acrylamide","","- C29 H20 N4 O2 -","- C29 H20 N4 O2 -","- C58 H40 N8 O4 -","2","1","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","27","17","2759","2766","10.1039/D4CE01317D","","","0.63","synchrotron","","0.0546","0.0443","","","0.1167","0.124","","","","","","1.045","","","","has coordinates","300691","2025-07-06","14:58:39",""
"7250178","11.226","0.002","13.215","0.003","16.773","0.003","81.42","0.03","87.99","0.03","69.34","0.03","2301.8","0.9","221","2","221","2","","","","","","","","4","P -1","-P 1","2","","(E)-2-cyano-3-(2-(2-cyanophenoxy)-4-(diphenylamino) phenyl)acrylic acid","","- C29 H19 N3 O3 -","- C29 H19 N3 O3 -","- C116 H76 N12 O12 -","4","2","","Ravi, Sasikala; Priyadharsan, R. Rameshbabu; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Synthesis of dual-state emissive twisted donor–acceptor fluorophores: tunable fluorescence and self-reversible mechanofluorochromism","CrystEngComm","2025","27","17","2759","2766","10.1039/D4CE01317D","","","0.63","synchrotron","","0.1026","0.0763","","","0.2179","0.2387","","","","","","1.069","","","","has coordinates","300691","2025-07-06","14:58:39",""
"7250179","25.471","0.004","26.107","0.004","26.205","0.004","90","","90","","90","","17426","5","170","","170","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C84 H200 Ag40 Nb6 O19 S32 -","- C84 H194 Ag40 Nb6 O19 S32 -","- C336 H776 Ag160 Nb24 O76 S128 -","4","0.5","","Zeng, Li; Lin, Ya-Ting; Hong, Li-Hao; Sun, Yan-Qiong; Xie, Jianping; Zheng, Shou-Tian; Li, Xin-Xiong","A new silver–thiolate nanocluster synthesized utilizing pure-inorganic polyoxoniobate as a starting template and its variable-temperature fluorescence properties","CrystEngComm","2025","27","18","2883","2887","10.1039/D5CE00195A","","","0.71073","MoKα","","0.0368","0.0308","","","0.0696","0.0744","","","","","","1.041","","","","has coordinates","300727","2025-07-06","15:11:23",""
"7250180","5.9476","0.0007","18.2684","0.0019","18.31","0.002","90","","90","","90","","1989.4","0.4","170","","170","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 O2 S Se -","- C22 H24 O2 S Se -","- C88 H96 O8 S4 Se4 -","4","1","","Xiao, Xiao; Tian, Hong-Yu; Sun, Jia-Chen; Bai, Jun; Wang, Min; Chen, Biao; Jin, Yu-Xia; Jiang, Hai-Bo; Cheng, Dang; Chen, Fen-Er","Deuterated methylselenylating reagents designed for diverse Se-methyl-d3 scaffold construction","Green Chemistry","2025","27","17","4779","4794","10.1039/D5GC00193E","","x-ray","1.34139","GaKα","","0.1427","0.1046","","","0.1637","0.1759","","","","","","1.104","","","","has coordinates","301002","2025-07-06","17:20:05",""
"7250181","15.7314","0.0006","5.9645","0.0002","19.2934","0.0007","90","","98.228","0.001","90","","1791.66","0.11","170","","170","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 D3 O2 S Se -","- C20 H20 O2 S Se -","- C80 H80 O8 S4 Se4 -","4","1","","Xiao, Xiao; Tian, Hong-Yu; Sun, Jia-Chen; Bai, Jun; Wang, Min; Chen, Biao; Jin, Yu-Xia; Jiang, Hai-Bo; Cheng, Dang; Chen, Fen-Er","Deuterated methylselenylating reagents designed for diverse Se-methyl-d3 scaffold construction","Green Chemistry","2025","27","17","4779","4794","10.1039/D5GC00193E","","","1.34139","GaKα","","0.111","0.0725","","","0.1122","0.1189","","","","","","1.048","","","","has coordinates","301002","2025-07-06","17:20:05",""
"7250184","13.43","0.0014","8.8535","0.001","11.7594","0.0012","90","","99.231","0.006","90","","1380.1","0.3","281","2","281.59","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Lenalidomide Dihydrate","3-(4-Amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione","","- C13 H17 N3 O5 -","- C13 H17 N3 O5 -","- C52 H68 N12 O20 -","4","1","","Zhang, Qi; Zhu, Yitong; Xu, Yisheng; Yang, Huaiyu; Li, Wei; Zhang, Xiangyang","Different thermal and solubility properties with an identical crystal structure – case of lenalidomide hydrate","CrystEngComm","2025","27","18","2815","2823","10.1039/D4CE00798K","","","1.54178","CuKα","","0.1059","0.0806","","","0.2268","0.2677","","","","","","1.063","","","","has coordinates","300726","2025-07-06","15:11:11",""
"7250185","8.1897","0.0005","29.5212","0.0016","8.055","0.0005","90","","99.46","0.006","90","","1921","0.2","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H16 Cl2 N O -","- C23 H16 Cl2 N O -","- C92 H64 Cl8 N4 O4 -","4","1","","Xiao, Hui; Ma, HuiLi; Wang, Jingyi; An, Zhongfu; Guo, Zhiyong","Crystallization-induced highly efficient phosphorescence in metal-free organic phosphors","CrystEngComm","2025","27","18","2931","2936","10.1039/D4CE01323A","","","0.71073","MoKα","","0.1179","0.0844","","","0.2427","0.2665","","","","","","1.082","","","","has coordinates","300729","2025-07-06","15:11:39",""
"7250186","10.3584","0.0006","14.3225","0.0007","10.9878","0.0008","90","","109.787","0.007","90","","1533.88","0.17","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H14 N O -","- C22 H14 N O -","- C88 H56 N4 O4 -","4","1","","Xiao, Hui; Ma, HuiLi; Wang, Jingyi; An, Zhongfu; Guo, Zhiyong","Crystallization-induced highly efficient phosphorescence in metal-free organic phosphors","CrystEngComm","2025","27","18","2931","2936","10.1039/D4CE01323A","","","0.71073","MoKα","","0.0895","0.0544","","","0.1144","0.1327","","","","","","1.045","","","","has coordinates","300729","2025-07-06","15:11:40",""
"7250196","9.6377","0.0003","15.5333","0.0004","18.4376","0.0005","76.307","0.001","88.371","0.001","82.631","0.001","2659.6","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H57 N7 O9 Zn2 -","- C62 H57 N7 O9 Zn2 -","- C124 H114 N14 O18 Zn4 -","2","1","","Gang, Ruo-Tong; Zhang, Wen-Jing; Yu, Hai-Jun; Li, Zhen-Hui; Li, Yi-Long; Wu, Xue-Ru; Chen, Ming-Guang; Gao, Shu-Man; Shao, Feng","Two zinc(ii)-based coordination polymers as luminescent sensors for detecting salicylaldehyde with high sensitivity and selectivity","CrystEngComm","2025","27","18","2944","2951","10.1039/D4CE01236D","","","0.71073","MoKα","","0.0964","0.0544","","","0.1187","0.1424","","","","","","1.01","","","","has coordinates","300730","2025-07-06","15:12:03",""
"7250197","10.1228","0.0005","11.5907","0.0005","13.8893","0.0007","111.631","0.002","94.164","0.002","101.933","0.002","1462.16","0.12","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H24 N6 O4 Zn -","- C34 H24 N6 O4 Zn -","- C68 H48 N12 O8 Zn2 -","2","1","","Gang, Ruo-Tong; Zhang, Wen-Jing; Yu, Hai-Jun; Li, Zhen-Hui; Li, Yi-Long; Wu, Xue-Ru; Chen, Ming-Guang; Gao, Shu-Man; Shao, Feng","Two zinc(ii)-based coordination polymers as luminescent sensors for detecting salicylaldehyde with high sensitivity and selectivity","CrystEngComm","2025","27","18","2944","2951","10.1039/D4CE01236D","","","0.71073","MoKα","","0.0744","0.0502","","","0.1179","0.132","","","","","","1.034","","","","has coordinates","300730","2025-07-06","15:12:03",""
"7250200","10.5074","0.0011","12.4178","0.0013","12.4907","0.0013","78.142","0.002","66.982","0.002","78.702","0.002","1455.9","0.3","120","2","120.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H59 Ni3 O41.5 Rb6 -","- C30 H52 Ni3 O38 Rb6 -","- C30 H52 Ni3 O38 Rb6 -","1","0.5","","Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander A.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Alexandrov, Eugeny V.; Kiskin, Mikhail A.; Eremenko, Igor L.","The role of alkali metal cations in the construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates","CrystEngComm","2025","27","20","3352","3361","10.1039/D4CE01319K","","","0.71073","MoKα","","0.028","0.021","","","0.0496","0.0517","","","","","","1.038","","","","has coordinates","300716","2025-07-06","15:08:36",""
"7250201","5.2628","0.0002","10.5543","0.0004","10.7212","0.0004","114.616","0.001","92.679","0.001","101.051","0.002","525.98","0.04","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H24 Cs2 Ni O16 -","- C10 H24 Cs2 Ni O16 -","- C10 H24 Cs2 Ni O16 -","1","0.5","","Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander A.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Alexandrov, Eugeny V.; Kiskin, Mikhail A.; Eremenko, Igor L.","The role of alkali metal cations in the construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates","CrystEngComm","2025","27","20","3352","3361","10.1039/D4CE01319K","","","0.71073","MoKα","","0.04","0.0318","","","0.0639","0.0673","","","","","","1.038","","","","has coordinates","300716","2025-07-06","15:08:36",""
"7250202","5.5034","0.0007","8.4085","0.0011","11.8303","0.0015","81.35","0.002","87.308","0.002","83.679","0.002","537.68","0.12","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H28 Na2 Ni O18 -","- C10 H28 Na2 Ni O18 -","- C10 H28 Na2 Ni O18 -","1","0.5","","Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander A.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Alexandrov, Eugeny V.; Kiskin, Mikhail A.; Eremenko, Igor L.","The role of alkali metal cations in the construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates","CrystEngComm","2025","27","20","3352","3361","10.1039/D4CE01319K","","","0.71073","MoKα","","0.0406","0.0393","","","0.1086","0.1092","","","","","","1.168","","","","has coordinates","300716","2025-07-06","15:08:36",""
"7250203","10.2896","0.0018","12.302","0.002","12.719","0.002","75.425","0.003","66.665","0.002","78.791","0.003","1422.6","0.4","184","2","184.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H60 K6 Ni3 O42 -","- C30 H60 K6 Ni3 O42 -","- C30 H60 K6 Ni3 O42 -","1","0.5","","Zorina-Tikhonova, Ekaterina N.; Matiukhina, Anna K.; Korlyukov, Alexander A.; Goloveshkin, Alexander S.; Babeshkin, Konstantin A.; Efimov, Nikolay N.; Alexandrov, Eugeny V.; Kiskin, Mikhail A.; Eremenko, Igor L.","The role of alkali metal cations in the construction of heterometallic NiII polymeric cyclopropane-1,1-dicarboxylates","CrystEngComm","2025","27","20","3352","3361","10.1039/D4CE01319K","","","0.71073","MoKα","","0.0568","0.0423","","","0.0948","0.1012","","","","","","1.043","","","","has coordinates","300716","2025-07-06","15:08:36",""
"7250204","18.6216","0.0006","35.2831","0.0008","10.5028","0.0003","90","","120.91","0.003","90","","5920.6","0.3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 Ca N2 O10 -","- C46 H40 Ca N2 O10 -","- C184 H160 Ca4 N8 O40 -","4","0.5","","Zhao, Baiwen; Clarkson, Guy J.; Liu, Jie; Le, Thi Huong; Marrot, Jérôme; Millange, Franck; Frigoli, Michel; Walton, Richard I.","Structural variety in calcium metal–organic frameworks with a tetratopic carboxylate ligand","CrystEngComm","2025","27","18","2830","2840","10.1039/D5CE00145E","","","0.7293","synchrotron","","0.1423","0.1034","","","0.2659","0.2924","","","","","","0.952","","","","has coordinates","300731","2025-07-06","15:12:27",""
"7250205","11.0429","0.0004","14.6332","0.0005","18.2349","0.0004","99.017","0.002","91.928","0.002","99.224","0.003","2867.36","0.16","100","0.1","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C114 H78 Ca5 O43.8 -","- C114 H78 Ca5 O43.8 -","- C114 H78 Ca5 O43.8 -","1","0.5","","Zhao, Baiwen; Clarkson, Guy J.; Liu, Jie; Le, Thi Huong; Marrot, Jérôme; Millange, Franck; Frigoli, Michel; Walton, Richard I.","Structural variety in calcium metal–organic frameworks with a tetratopic carboxylate ligand","CrystEngComm","2025","27","18","2830","2840","10.1039/D5CE00145E","","","1.54184","CuKα","","0.0892","0.0749","","","0.2173","0.2319","","","","","","1.045","","","","has coordinates,has disorder","300731","2025-07-06","15:12:28",""
"7250206","6.8684","0.0002","13.8322","0.0004","14.4683","0.0005","105.538","0.002","95.126","0.002","101.433","0.002","1283.2","0.07","292","2","292.15","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H36 O10 S2 -","- C42 H36 O10 S2 -","- C42 H36 O10 S2 -","1","0.5","","Zhao, Baiwen; Clarkson, Guy J.; Liu, Jie; Le, Thi Huong; Marrot, Jérôme; Millange, Franck; Frigoli, Michel; Walton, Richard I.","Structural variety in calcium metal–organic frameworks with a tetratopic carboxylate ligand","CrystEngComm","2025","27","18","2830","2840","10.1039/D5CE00145E","","","0.71073","MoKα","","0.0876","0.0724","","","0.2249","0.2456","","","","","","1.046","","","","has coordinates","300731","2025-07-06","15:12:38",""
"7250207","18.603","0.0006","19.2334","0.0007","20.9801","0.0007","66.031","0.004","67.392","0.003","85.309","0.003","6307.6","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C114 H62 Ca5 O29 -","- C114 H62 Ca5 O29 -","- C228 H124 Ca10 O58 -","2","1","","Zhao, Baiwen; Clarkson, Guy J.; Liu, Jie; Le, Thi Huong; Marrot, Jérôme; Millange, Franck; Frigoli, Michel; Walton, Richard I.","Structural variety in calcium metal–organic frameworks with a tetratopic carboxylate ligand","CrystEngComm","2025","27","18","2830","2840","10.1039/D5CE00145E","","","1.54184","CuKα","","0.1399","0.0902","","","0.2623","0.3028","","","","","","1.006","","","","has coordinates,has disorder","300731","2025-07-06","15:12:38",""
"7250208","7.0067","0.0009","11.6243","0.0015","17.481","0.002","100.627","0.005","97.557","0.005","98.458","0.005","1365.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27.5 H32 N6 O6.5 S -","- C26 H28 N6 O6 S -","- C52 H56 N12 O12 S2 -","2","1","","Prohens, Rafel; Barbas, Rafael; Barceló-Oliver, Miquel; Frontera, Antonio","New salt-solvates of Mirabegron: a combined experimental and computational study","CrystEngComm","2025","27","17","2720","2728","10.1039/D4CE01228C","","","0.71073","MoKα","","0.0927","0.0889","","","0.1985","0.2001","","","","","","1.296","","","","has coordinates,has disorder","300692","2025-07-06","14:58:49",""
"7250209","7.9585","0.0006","9.7595","0.0008","18.6559","0.0016","81.61","0.004","88.461","0.004","83.493","0.003","1424.2","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 N5 O4 S -","- C27 H35 N5 O4 S -","- C54 H70 N10 O8 S2 -","2","1","","Prohens, Rafel; Barbas, Rafael; Barceló-Oliver, Miquel; Frontera, Antonio","New salt-solvates of Mirabegron: a combined experimental and computational study","CrystEngComm","2025","27","17","2720","2728","10.1039/D4CE01228C","","","0.71073","MoKα","","0.1098","0.0955","","","0.1957","0.2012","","","","","","1.177","","","","has coordinates,has disorder","300692","2025-07-06","14:58:49",""
"7250210","10.6139","0.0006","13.0164","0.0011","13.2023","0.0008","111.948","0.003","95.785","0.002","114.007","0.002","1475","0.18","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H34 N6 O7 S -","- C29 H34 N6 O7 S -","- C58 H68 N12 O14 S2 -","2","1","","Prohens, Rafel; Barbas, Rafael; Barceló-Oliver, Miquel; Frontera, Antonio","New salt-solvates of Mirabegron: a combined experimental and computational study","CrystEngComm","2025","27","17","2720","2728","10.1039/D4CE01228C","","","0.71073","MoKα","","0.0925","0.0881","","","0.1976","0.2","","","","","","1.166","","","","has coordinates,has disorder","300692","2025-07-06","14:58:49",""
"7250211","11.81","0.12","4.94","0.08","17.74","0.13","90","","95.86","0.17","90","","1030","2","296.15","","296.15","","","","","","","","","4","P 1 21 1","P 2yb","4","7_Cyano_L_Trp","7_Cyano_L_Trp","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","2","","Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru","Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of the molecular arrangement for functionalized crystals","CrystEngComm","2025","27","19","3095","3101","10.1039/D5CE00099H","","electron","0.0251","transmissionelectronmicroscope","","0.2544","0.1854","","","0.4603","0.5176","","","","","","1.185","","","","has coordinates","300697","2025-07-06","15:03:18",""
"7250212","18.6956","0.00008","18.6956","0.00008","5.95062","0.00004","90","","90","","90","","2079.89","0.019","223","","223","","","","","","","","","4","I 4","I 4","79","","","","- C10 H11 N3 O2 -","- C10 H11 N3 O2 -","- C80 H88 N24 O16 -","8","1","","Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru","Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of the molecular arrangement for functionalized crystals","CrystEngComm","2025","27","19","3095","3101","10.1039/D5CE00099H","","","1.54184","CuKα","","0.024","0.0238","","","0.0618","0.0619","","","","","","1.089","","","","has coordinates","300697","2025-07-06","15:03:20",""
"7250213","9.02963","0.00016","5.82382","0.0001","9.7226","0.00017","90","","112.326","0.002","90","","472.955","0.016","223","","223","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 N3 O2 -","- C10 H11 N3 O2 -","- C20 H22 N6 O4 -","2","1","","Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru","Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of the molecular arrangement for functionalized crystals","CrystEngComm","2025","27","19","3095","3101","10.1039/D5CE00099H","","","1.54184","CuKα","","0.0726","0.0717","","","0.1823","0.1837","","","","","","1.031","","","","has coordinates","300697","2025-07-06","15:03:29",""
"7250214","9.4366","0.0001","5.7664","0.0001","19.631","0.0003","90","","101.21","0.001","90","","1047.84","0.03","223","2","223.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 N5 O4 -","- C23 H23 N5 O4 -","- C46 H46 N10 O8 -","2","1","","Tsuchiya, Yuiho; Ohata, Misaki; Chisuga, Taichi; Nakano, Shogo; Ito, Suguru","Enantiopure and quasiracemic crystals of 7-substituted tryptophan derivatives: modulation of the molecular arrangement for functionalized crystals","CrystEngComm","2025","27","19","3095","3101","10.1039/D5CE00099H","","","1.54184","CuKα","","0.0404","0.0349","","","0.0887","0.0922","","","","","","1.06","","","","has coordinates","300697","2025-07-06","15:03:29",""
"7250216","32.084","0.0011","6.2079","0.0002","21.7596","0.0007","90","","106.709","0.001","90","","4151","0.2","102","2","102","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 F3 I O5 S -","- C20 H12 F3 I O4 S -","- C160 H96 F24 I8 O32 S8 -","8","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","single crystal","1.54178","CuKα","","0.031","0.0284","","","0.074","0.0759","","","","","","1.063","","","","has coordinates","300732","2025-07-06","15:12:53",""
"7250217","4.812","0.0001","19.7752","0.0005","14.9145","0.0004","90","","98.519","0.001","90","","1403.58","0.06","101","2","101","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O Se -","- C19 H12 O Se -","- C76 H48 O4 Se4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","x-ray","1.54178","CuKα","","0.0249","0.0224","","","0.0559","0.0575","","","","","","1.051","","","","has coordinates","300732","2025-07-06","15:12:53",""
"7250218","10.16","0.005","15.349","0.007","13.056","0.006","90","","109.4","0.02","90","","1920.4","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 F3 I O4 S -","- C20 H12 F3 I O4 S -","- C80 H48 F12 I4 O16 S4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","0.71073","MoKα","","0.0393","0.0335","","","0.0927","0.0955","","","","","","1.15","","","","has coordinates","300732","2025-07-06","15:12:53",""
"7250219","17.2909","0.0014","4.0044","0.0003","14.8721","0.0012","90","","105.375","0.0019","90","","992.89","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 Br Se -","- C12 H7 Br Se -","- C48 H28 Br4 Se4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0286","0.0276","","","0.0904","0.0913","","","","","","1.086","","","","has coordinates","300732","2025-07-06","15:12:53",""
"7250220","4.7662","0.0003","19.7037","0.0011","14.7618","0.0008","90","","96.564","0.003","90","","1377.22","0.14","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O S -","- C19 H12 O S -","- C76 H48 O4 S4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0745","0.0511","","","0.1168","0.14","","","","","","1.058","","","","has coordinates","300732","2025-07-06","15:12:53",""
"7250221","3.9473","0.0002","29.7393","0.0016","11.4521","0.0006","90","","91.572","0.003","90","","1343.86","0.12","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O S -","- C19 H12 O S -","- C76 H48 O4 S4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0508","0.0377","","","0.0871","0.0986","","","","","","1.055","","","","has coordinates","300732","2025-07-06","15:12:54",""
"7250222","3.9799","0.0004","29.881","0.003","11.4398","0.0011","90","","92.136","0.002","90","","1359.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H12 O Se -","- C19 H12 O Se -","- C76 H48 O4 Se4 -","4","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0277","0.0268","","","0.0737","0.0745","","","","","","1.061","","","","has coordinates","300732","2025-07-06","15:12:54",""
"7250223","19.67","0.002","8.7121","0.0009","16.4513","0.0017","90","","91.509","0.002","90","","2818.2","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 O Te -","- C19 H12 O Te -","- C152 H96 O8 Te8 -","8","1","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","1.54178","CuKα","","0.0274","0.0271","","","0.0776","0.0778","","","","","","1.092","","","","has coordinates","300732","2025-07-06","15:12:54",""
"7250224","10.6483","0.0011","20.468","0.002","13.8551","0.0013","90","","110.162","0.003","90","","2834.7","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 O Te -","- C19 H12 O Te -","- C152 H96 O8 Te8 -","8","2","","Höfmann, Lea; Wölper, Christoph; Huber, Alexander; Siera, Hannah; Daniliuc, Constantin G.; Haberhauer, Gebhard; Voskuhl, Jens","Tuning carbonyl interactions in dibenzochalcogenophenes","CrystEngComm","2025","27","18","2902","2909","10.1039/D4CE01248H","","","0.71073","MoKα","","0.0273","0.0245","","","0.0589","0.06","","","","","","1.156","","","","has coordinates","300732","2025-07-06","15:12:54",""
"7250229","22.6222","0.0016","5.514","0.0004","23.3117","0.0017","90","","90","","90","","2907.9","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C28 H18 I4 N4 -","- C28 H18 I4 N4 -","- C112 H72 I16 N16 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0411","0.029","","","0.0495","0.0559","","","","","","1.091","","","","has coordinates","300720","2025-07-06","15:09:56",""
"7250230","7.9279","0.0007","9.8606","0.0009","10.2238","0.0008","103.116","0.002","111.147","0.002","98.956","0.003","700.7","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H18 I4 N4 -","- C28 H18 I4 N4 -","- C28 H18 I4 N4 -","1","0.5","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.026","0.0205","","","0.0431","0.0464","","","","","","1.059","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250231","11.111","0.003","11.12","0.004","13.583","0.004","75.672","0.009","74.72","0.008","83.333","0.011","1566.2","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C80 H68 N8 O4 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0685","0.0587","","","0.1306","0.1356","","","","","","1.124","","","","has coordinates,has disorder","300720","2025-07-06","15:09:57",""
"7250232","11.442","0.0009","11.5769","0.0009","14.7255","0.0012","105.644","0.003","95.194","0.003","90.202","0.003","1869.8","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 I2 N6 -","- C38 H42 I2 N6 -","- C76 H84 I4 N12 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0886","0.0626","","","0.1676","0.1932","","","","","","1.035","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250233","10.325","0.004","11.902","0.005","16.282","0.006","83.689","0.012","72.592","0.013","77.625","0.012","1862.6","1.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H42 I2 N6 -","- C38 H42 I2 N6 -","- C76 H84 I4 N12 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0726","0.0478","","","0.1166","0.1345","","","","","","1.055","","","","has coordinates,has disorder","300720","2025-07-06","15:09:57",""
"7250234","11.8378","0.0018","7.6253","0.0013","14.277","0.003","90","","96.549","0.006","90","","1280.3","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H26 N4 -","- C32 H26 N4 -","- C64 H52 N8 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0557","0.0413","","","0.0958","0.1028","","","","","","1.059","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250235","7.7573","0.0005","17.2615","0.0009","19.0749","0.001","90","","90","","90","","2554.2","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H26 N4 -","- C32 H26 N4 -","- C128 H104 N16 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0639","0.0431","","","0.0891","0.099","","","","","","1.04","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250236","9.3691","0.0013","10.7182","0.0015","29.938","0.004","90","","94.932","0.004","90","","2995.2","0.7","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H26 N4 -","- C40 H26 N4 -","- C160 H104 N16 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1435","0.0745","","","0.1453","0.1729","","","","","","1.01","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250237","10.3829","0.0007","10.67","0.0007","13.3452","0.0008","100.606","0.002","94.261","0.002","113.76","0.002","1311.79","0.15","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H26 N4 -","- C32 H26 N4 -","- C64 H52 N8 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0887","0.0636","","","0.1493","0.1629","","","","","","1.018","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250238","26.8941","0.0016","13.4775","0.0008","18.9193","0.0012","90","","121.399","0.002","90","","5853.4","0.6","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H26 N4 -","- C40 H26 N4 -","- C320 H208 N32 -","8","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0589","0.0448","","","0.1076","0.1158","","","","","","1.038","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250239","9.9995","0.0009","21.219","0.002","15.4151","0.0014","90","","90","","90","","3270.8","0.5","298","2","298","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C160 H136 N16 O8 -","4","0.5","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.066","0.0557","","","0.1464","0.1536","","","","","","1.053","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250240","8.9156","0.0012","9.8977","0.0014","12.03","0.0017","78.532","0.004","88.488","0.004","83.005","0.004","1032.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N5 O2 -","- C24 H19 N5 O2 -","- C48 H38 N10 O4 -","2","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1038","0.0473","","","0.1145","0.1361","","","","","","1.027","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250241","7.9713","0.0007","15.8311","0.0014","29.59","0.002","90","","95.268","0.003","90","","3718.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H42 I2 N6 -","- C38 H42 I2 N6 -","- C152 H168 I8 N24 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1161","0.0651","","","0.1734","0.2245","","","","","","1.032","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250242","10.5848","0.0016","26.074","0.004","11.1341","0.0019","90","","94.403","0.005","90","","3063.8","0.8","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N4 O2 -","- C38 H30 N4 O2 -","- C152 H120 N16 O8 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1027","0.0578","","","0.1225","0.1435","","","","","","1.064","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250243","28.913","0.004","4.8255","0.0005","14.858","0.002","90","","104.627","0.005","90","","2005.8","0.4","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N5 O2 -","- C24 H19 N5 O2 -","- C96 H76 N20 O8 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.084","0.0542","","","0.123","0.1381","","","","","","1.035","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250244","15.271","0.002","9.8156","0.0013","20.758","0.003","90","","98.675","0.006","90","","3075.9","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 N4 O2 -","- C38 H30 N4 O2 -","- C152 H120 N16 O8 -","4","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.1227","0.0529","","","0.1288","0.1407","","","","","","1.069","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250245","18.426","0.007","14.516","0.006","24.976","0.011","90","","90","","90","","6680","5","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C40 H34 N4 O2 -","- C40 H34 N4 O2 -","- C320 H272 N32 O16 -","8","1","","Chuskit, Stanzin; Kumar, Sunil; Das, Dinabandhu","Polymorphism in novel symmetric and asymmetric bis-hydrazone derivatives","CrystEngComm","2025","27","20","3247","3256","10.1039/D5CE00242G","","","0.71073","MoKα","","0.0842","0.0551","","","0.1265","0.1417","","","","","","1.05","","","","has coordinates","300720","2025-07-06","15:09:57",""
"7250246","14.9159","0.0012","18.4135","0.0009","22.7514","0.0013","90","","90","","90","","6248.8","0.7","293","2","293","2","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C20 H35 Co N10 O12 S4 -","- C20 H35 Co N10 O12 S4 -","- C160 H280 Co8 N80 O96 S32 -","8","0.25","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.0501","0.0372","","","0.0992","0.1049","","","","","","1","","","","has coordinates,has disorder","300696","2025-07-06","15:03:07",""
"7250247","7.4363","0.0006","8.2733","0.0006","11.5486","0.0014","110.849","0.009","94.899","0.008","90.864","0.006","660.76","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H32 Cl Co N10 O6 S2 -","- C14 H32 Cl Co N10 O6 S2 -","- C14 H32 Cl Co N10 O6 S2 -","1","0.5","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.0453","0.0353","","","0.0899","0.0977","","","","","","1.003","","","","has coordinates","300696","2025-07-06","15:03:09",""
"7250248","14.3265","0.0005","14.3265","0.0005","24.7933","0.0016","90","","90","","90","","5088.8","0.4","293","2","293","2","","","","","","","","8","I 4/m","-I 4","87","","","","- C14 H26 Cl Co K2 N6 O10 S2 -","- C14 H26 Cl Co K2 N6 O10 S2 -","- C112 H208 Cl8 Co8 K16 N48 O80 S16 -","8","0.5","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.0621","0.0435","","","0.1095","0.12","","","","","","1.007","","","","has coordinates","300696","2025-07-06","15:03:09",""
"7250249","7.4383","0.0005","12.0736","0.0009","19.2979","0.0012","100.1","0.006","98.038","0.006","91.656","0.006","1686.9","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C7 H53 Cl2 Co2 N12 O16 S2 -","- C7 H52.932 Cl2 Co2 N12 O16 S2 -","- C14 H105.864 Cl4 Co4 N24 O32 S4 -","2","1","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.1016","0.0579","","","0.1312","0.1598","","","","","","0.851","","","","has coordinates,has disorder","300696","2025-07-06","15:03:09",""
"7250250","25.0699","0.001","7.2512","0.0004","10.8265","0.0006","90","","90","","90","","1968.12","0.17","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C7 H24 Cl Co N6 O9 S -","- C7 H24 Cl Co N6 O8.999 S -","- C28 H96 Cl4 Co4 N24 O35.996 S4 -","4","0.5","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.0584","0.0485","","","0.1471","0.1559","","","","","","1.026","","","","has coordinates,has disorder","300696","2025-07-06","15:03:09",""
"7250251","14.489","0.003","6.871","0.001","17.692","0.003","90","","97.903","0.017","90","","1744.6","0.5","293","2","293","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C7 H22 Cl2 Co N6 Na O5.69 S -","- C7 H22 Cl2 Co N6 Na O5.688 S -","- C28 H88 Cl8 Co4 N24 Na4 O22.752 S4 -","4","1","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.1081","0.0528","","","0.0847","0.0902","","","","","","1.01","","","","has coordinates,has disorder","300696","2025-07-06","15:03:09",""
"7250252","12.9654","0.0005","13.1933","0.0006","16.5514","0.0009","83.432","0.004","72.016","0.004","68.761","0.004","2510","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Co N14 O14 S2 -","- C36 H46 Co N14 O14.001 S2 -","- C72 H92 Co2 N28 O28.002 S4 -","2","1","","Beleaev, Ecaterina S.; Kravtsov, Victor Ch.; Chumakov, Yurii; Baca, Svetlana G.","Multi-component supramolecular compounds containing hexaamminecobalt(iii) cations and aromatic sulfonic acid derivatives","CrystEngComm","2025","27","19","3018","3031","10.1039/D5CE00184F","","","0.71073","MoKα","","0.1","0.0648","","","0.1764","0.2021","","","","","","1.001","","","","has coordinates","300696","2025-07-06","15:03:09",""
"7250253","8.6758","0.0004","15.7644","0.0006","10.951","0.0005","90","","96.07","0.002","90","","1489.36","0.11","273","2","273.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N3 O9 -","- C12 H15 N3 O9 -","- C48 H60 N12 O36 -","4","1","","Shukla, Vibhav; Kumar, Astakala Anil; Haq, Nazrul; Tothadi, Sinu; Siddiqui, Kafeel Ahmad","A dual-function crystalline sensor: tris(2-carboxyethyl) isocyanurate for ultra-sensitive detection and sustainable degradation of tetracycline antibiotics","CrystEngComm","2025","27","20","3326","3344","10.1039/D5CE00235D","","","0.71073","MoKα","","0.0633","0.0457","","","0.1197","0.137","","","","","","1.061","","","","has coordinates,has disorder","300719","2025-07-06","15:09:31",""
"7250254","14.1583","0.0004","14.4657","0.0004","14.2413","0.0003","90","","90","","90","","2916.76","0.13","298","","298","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H18 I3 N4 P -","- C6 H18 I3 N4 P -","- C48 H144 I24 N32 P8 -","8","0.5","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0177","0.017","","","0.0436","0.0439","","","","","","1.136","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250255","14.2452","0.0005","14.5204","0.0006","14.3176","0.0005","90","","90","","90","","2961.54","0.19","410","","410","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C5.71 H16.54 I3 N4 P -","- C5.7 H16.54 I3 N4 P -","- C45.6 H132.32 I24 N32 P8 -","8","0.5","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0356","0.0339","","","0.0937","0.0953","","","","","","1.089","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250256","14.1395","0.0005","14.4681","0.0005","14.2255","0.0004","90","","90","","90","","2910.13","0.17","253","","253","","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H18 I3 N4 P -","- C6 H18 I3 N4 P -","- C48 H144 I24 N32 P8 -","8","0.5","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0224","0.0211","","","0.0522","0.0527","","","","","","1.092","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250257","7.0146","0.0004","7.0146","0.0004","7.0146","0.0004","90","","90","","90","","345.15","0.03","415","","415","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C14 Br3 N -","- C14 Br3 N -","- C14 Br3 N -","1","0.0208333","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.1203","0.0729","","","0.2556","0.2999","","","","","","1.101","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250258","6.9497","0.0009","6.9497","0.0009","6.9497","0.0009","90","","90","","90","","335.66","0.08","391","","391","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C12.6 Br3 N -","- C12.6 Br3 N -","- C12.6 Br3 N -","1","0.0208333","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0766","0.0492","","","0.12","0.1308","","","","","","1.088","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250259","7.0028","0.0004","7.0028","0.0004","7.0028","0.0004","90","","90","","90","","343.41","0.03","410","","410","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C12.3 Br3 N -","- C12.28 Br3 N -","- C12.28 Br3 N -","1","0.0208333","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0717","0.062","","","0.1267","0.1313","","","","","","1.437","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250260","10.4847","0.0003","10.4847","0.0003","14.8469","0.0007","90","","90","","90","","1632.1","0.1","391","","391","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C6 H16 B3 F12 N3.9 P1.1 -","- C6 H16 B3 F12 N3.902 P1.098 -","- C24 H64 B12 F48 N15.608 P4.392 -","4","0.5","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0796","0.0638","","","0.199","0.222","","","","","","1.093","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250261","13.7974","0.0004","9.9483","0.0003","9.661","0.0003","90","","90","","90","","1326.08","0.07","322","","322","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0505","0.0491","","","0.1299","0.131","","","","","","1.051","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250262","13.7604","0.0003","9.9259","0.0003","9.6119","0.0003","90","","90","","90","","1312.84","0.06","253","","253","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0237","0.0224","","","0.0509","0.0512","","","","","","1.117","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250263","13.7833","0.0004","9.9419","0.0003","9.6453","0.0003","90","","90","","90","","1321.72","0.07","298","","298","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0492","0.0481","","","0.1258","0.1268","","","","","","1.069","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250264","6.9822","0.0004","6.9822","0.0004","6.9822","0.0004","90","","90","","90","","340.39","0.03","401","","401","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","","- C12.46 Br3 N -","- C12.48 Br3 N -","- C12.48 Br3 N -","1","0.0208333","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0657","0.0404","","","0.1199","0.1422","","","","","","1.07","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250265","13.8322","0.0008","9.9354","0.0007","9.7055","0.0008","90","","90","","90","","1333.81","0.16","382","","382","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.1106","0.087","","","0.1889","0.2076","","","","","","1.023","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250266","13.818","0.0005","9.9528","0.0004","9.6881","0.0004","90","","90","","90","","1332.38","0.09","354","","354","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0525","0.0499","","","0.1349","0.1367","","","","","","1.047","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250267","13.8355","0.0005","9.9594","0.0004","9.7006","0.0004","90","","90","","90","","1336.68","0.09","364","","364","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0513","0.0451","","","0.1106","0.1137","","","","","","1.069","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250268","13.8098","0.0004","9.9529","0.0003","9.6797","0.0004","90","","90","","90","","1330.45","0.08","345","","345","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0522","0.0503","","","0.1344","0.1363","","","","","","1.053","","","","has coordinates","300733","2025-07-06","15:13:32",""
"7250269","13.8318","0.0006","9.9497","0.0004","9.7003","0.0006","90","","90","","90","","1334.98","0.11","373","","373","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C6 H18 Br3 N4 P -","- C6 H18 Br3 N4 P -","- C24 H72 Br12 N16 P4 -","4","1","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0681","0.0582","","","0.1283","0.1331","","","","","","1.153","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250270","10.3573","0.0001","10.3573","0.0001","14.6992","0.0003","90","","90","","90","","1576.84","0.04","233","","233","","","","","","","","","6","P 42/n :2","-P 4bc","86","","","","- C8 H24.02 B4 F16 N5.34 P1.32 -","- C8 H24.0213 B4 F16 N5.344 P1.32267 -","- C24 H72.064 B12 F48 N16.032 P3.968 -","3","0.375","","Matsuda, Yumi; Asai, Rentaro; Moriguchi, Jumpei; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Synthesis, crystallographic study and solid-state properties of metal-free perovskites with P-atom containing A-site cations","CrystEngComm","2025","27","18","2824","2829","10.1039/D5CE00177C","","x-ray","0.71073","MoKα","","0.0622","0.0588","","","0.1593","0.1635","","","","","","1.07","","","","has coordinates,has disorder","300733","2025-07-06","15:13:32",""
"7250271","6.0306","0.0003","10.3023","0.0006","16.1959","0.001","90","","90","","90","","1006.24","0.1","200","","200","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","","Takaishi, Kazuto; Morishita, Hajime; Iwaki, Kosuke; Ema, Tadashi","Deoxygenative dual CO2 conversions: methylenation and switchable N-formylation/N-methylation of tryptamines","Green Chemistry","2025","27","18","5359","5365","10.1039/D5GC00942A","","x-ray","0.71073","MoKα","","0.1013","0.06","","","0.1076","0.1205","","","","","","1.023","","","","has coordinates","301013","2025-07-06","17:22:05",""
"7250272","12.4491","0.0007","6.2533","0.0002","13.2178","0.0007","90","","108.117","0.006","90","","977.97","0.09","100","","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 -","- C12 H14 N2 -","- C48 H56 N8 -","4","1","","Takaishi, Kazuto; Morishita, Hajime; Iwaki, Kosuke; Ema, Tadashi","Deoxygenative dual CO2 conversions: methylenation and switchable N-formylation/N-methylation of tryptamines","Green Chemistry","2025","27","18","5359","5365","10.1039/D5GC00942A","","x-ray","0.71073","MoKα","","0.0822","0.0577","","","0.1374","0.1525","","","","","","1.023","","","","has coordinates","301013","2025-07-06","17:22:05",""
"7250273","6.6617","0.0001","7.5013","0.0002","13.278","0.0003","90","","90","","90","","663.52","0.03","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C6 H10 O5 -","- C6 H10 O5 -","- C24 H40 O20 -","4","1","","Li, Xianda; Shao, Zhongping; Shan, Haozhe; Liu, Li","Evolution process of humins derived from cellulose by a humin extraction approach","Green Chemistry","2025","27","18","5322","5331","10.1039/D5GC00654F","","","1.54178","CuKα","","0.0234","0.023","","","0.0579","0.0583","","","","","","1.087","","","","has coordinates","301014","2025-07-06","17:22:11",""
"7250274","16.533","0.003","5.8462","0.0009","14.439","0.003","90","","102.45","0.006","90","","1362.8","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Panova, Elizaveta V.; Voronina, Julia K.; Azizova, Asmet N.; Tutar, Ömer Faruk; Mahmoudi, Ghodrat; Safin, Damir A.","Polymorphism phenomenon of the naphthyl-containing N-salicylidenaniline derivative: syntheses, crystal structures, optical properties, and theoretical calculations","CrystEngComm","2025","27","21","3502","3516","10.1039/D5CE00191A","","","0.71073","MoKα","","0.1034","0.061","","","0.127","0.1505","","","","","","1.024","","","","has coordinates","300743","2025-07-06","15:16:12",""
"7250275","6.1678","0.0004","14.2905","0.001","31.0405","0.0019","90","","90","","90","","2735.9","0.3","296.15","","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C144 H120 N8 O16 -","8","1","","Panova, Elizaveta V.; Voronina, Julia K.; Azizova, Asmet N.; Tutar, Ömer Faruk; Mahmoudi, Ghodrat; Safin, Damir A.","Polymorphism phenomenon of the naphthyl-containing N-salicylidenaniline derivative: syntheses, crystal structures, optical properties, and theoretical calculations","CrystEngComm","2025","27","21","3502","3516","10.1039/D5CE00191A","","","0.71073","MoKα","","0.0741","0.0495","","","0.1099","0.1302","","","","","","1.047","","","","has coordinates","300743","2025-07-06","15:16:12",""
"7250276","34.6511","0.0007","20.6506","0.0005","24.2274","0.0006","90","","100.104","0.002","90","","17067.4","0.7","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C318 H432 Cl2 Mn6 N12 Na12 O44 S14 -","- C314 H426 Cl2 Mn6 N10 Na12 O44 S14 -","- C628 H852 Cl4 Mn12 N20 Na24 O88 S28 -","2","0.25","","Wilson, Lucinda R. B.; Dalgarno, Scott J.; Brechin, Euan K.","Calix[4]arene-supported trigonal and square prisms of Mn and Na","CrystEngComm","2025","27","19","3041","3047","10.1039/D5CE00285K","","","1.54178","CuKα","","0.1326","0.1094","","","0.2704","0.2844","","","","","","1.023","","","","has coordinates,has disorder","300700","2025-07-06","15:04:06",""
"7250277","17.5535","0.0004","18.1099","0.0004","20.511","0.0005","91.09","0.002","110.519","0.001","109.895","0.001","5670.9","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C212.2 H274.6 Cl2 Mn6 N14 Na6 O32 -","- C212.2 H274.6 Cl2 Mn6 N14 Na6 O32 -","- C212.2 H274.6 Cl2 Mn6 N14 Na6 O32 -","1","0.5","","Wilson, Lucinda R. B.; Dalgarno, Scott J.; Brechin, Euan K.","Calix[4]arene-supported trigonal and square prisms of Mn and Na","CrystEngComm","2025","27","19","3041","3047","10.1039/D5CE00285K","","","1.54178","CuKα","","0.1387","0.1178","","","0.3792","0.4061","","","","","","1.661","","","","has coordinates,has disorder","300700","2025-07-06","15:04:06",""
"7250279","6.3479","0.0004","16.2352","0.0008","6.8246","0.0003","90","","95.902","0.005","90","","699.61","0.06","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Cs Ga Ge3 S8 -","- Cs Ga Ge3 S8 -","- Cs2 Ga2 Ge6 S16 -","2","0.5","","Wang, Yue; Li, Xuezhong; Lou, Zihao; Shi, Yongfang","Cationic substitution engineering induces a new quaternary chalcogenide in the A–MIIIA–MIVA–Q system for optical crystal applications","CrystEngComm","2025","27","20","3378","3385","10.1039/D5CE00016E","","x-ray","0.71073","MoKα","","0.0643","0.0484","","","0.1346","0.1489","","","","","","1.049","","","","has coordinates,has disorder","300714","2025-07-06","15:08:12",""
"7250280","8.8126","0.0004","16.8927","0.0007","19.2951","0.0008","65.104","0.004","82.811","0.004","84.903","0.004","2582.9","0.2","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N2 O3 S -","- C26 H22 N2 O3 S -","- C104 H88 N8 O12 S4 -","4","2","","Wang, Min; Jian, Yu-Rui; Fu, Xin-Yu; Xiang, Wei; Zha, Xiao; Zheng, Hong-Yu; Cui, Bao-Dong; Zhang, Yun; Mou, Xue-Qing; Chen, Yong-Zheng","Photoinduced tunable fluoroalkylation or sulfonylation/cyclization of methindolylstyrenes via electron donor–acceptor complexes","Green Chemistry","2025","27","19","5433","5441","10.1039/D5GC01102G","","x-ray","1.54184","CuKα","","0.1368","0.11","","","0.3322","0.3525","","","","","","1.039","","","","has coordinates","301003","2025-07-06","17:20:15",""
"7250281","11.0229","0.0002","16.8862","0.0003","21.3037","0.0003","90","","90","","90","","3965.36","0.12","150","0.1","150","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H20 N O3 S2 -","- C22.634 H19.634 N O3 S1.878 -","- C181.072 H157.072 N8 O24 S15.024 -","8","1","","Wang, Min; Jian, Yu-Rui; Fu, Xin-Yu; Xiang, Wei; Zha, Xiao; Zheng, Hong-Yu; Cui, Bao-Dong; Zhang, Yun; Mou, Xue-Qing; Chen, Yong-Zheng","Photoinduced tunable fluoroalkylation or sulfonylation/cyclization of methindolylstyrenes via electron donor–acceptor complexes","Green Chemistry","2025","27","19","5433","5441","10.1039/D5GC01102G","","x-ray","1.54184","CuKα","","0.1211","0.1082","","","0.302","0.3144","","","","","","2.008","","","","has coordinates,has disorder","301003","2025-07-06","17:20:15",""
"7250287","10.7","0.002","20.3","0.004","21.11","0.004","90","","95.6","0.03","90","","4563.4","1.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H28 Cl F12 N6 O8 Sm -","- C36 H28 Cl F12 N6 O8 Sm -","- C144 H112 Cl4 F48 N24 O32 Sm4 -","4","1","","Al Riyami, Najat A.; Husband, John S.; Al Shihhi, Amira; Sivakumar, Nallusamy; Al-Rasbi, Nawal K.","Self-assembly of Sm(iii) Schiff base complexes: crystal structure, luminescence and antibacterial inhibition activity","CrystEngComm","2025","27","19","3061","3074","10.1039/D4CE00843J","","","0.71073","MoKα","","0.172","0.0737","","","0.1749","0.2192","","","","","","0.951","","","","has coordinates","300698","2025-07-06","15:03:39",""
"7250288","11.659","0.013","14.662","0.014","17.291","0.015","66.38","0.07","81.58","0.08","78.42","0.08","2646","5","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H46 F6 N3 O11 Sm -","- C52 H46 F6 N3 O11 Sm -","- C104 H92 F12 N6 O22 Sm2 -","2","1","","Al Riyami, Najat A.; Husband, John S.; Al Shihhi, Amira; Sivakumar, Nallusamy; Al-Rasbi, Nawal K.","Self-assembly of Sm(iii) Schiff base complexes: crystal structure, luminescence and antibacterial inhibition activity","CrystEngComm","2025","27","19","3061","3074","10.1039/D4CE00843J","","","0.71073","MoKα","","0.0948","0.0855","","","0.225","0.2375","","","","","","1.04","","","","has coordinates","300698","2025-07-06","15:03:39",""
"7250291","10.8812","0.0001","12.4352","0.0001","20.2017","0.0002","96.673","0.001","94.802","0.001","90.381","0.001","2705.07","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H34 Br4 Cd2 N6 O11 -","- C48 H34 Br4 Cd2 N6 O12 -","- C96 H68 Br8 Cd4 N12 O24 -","2","1","","Song, Jian-Fei; Chen, Jia-Li; Guo, Gui-Quan; Zhu, Hong-Yan; Zhou, Si-Ying; Zheng, Xin-Rong; Zhang, Xiu-Qing","A Cd-based complex as a multifunctional fluorescent probe for the detection of Fe3+, ceftriaxone sodium (CRO) and l-aspartic acid (l-Asp)","CrystEngComm","2025","27","21","3537","3544","10.1039/D4CE01235F","","x-ray","1.54184","CuKα","","0.0635","0.0592","","","0.1706","0.1758","","","","","","1.072","","","","has coordinates","300738","2025-07-06","15:14:52",""
"7250292","7.3167","0.0006","12.0459","0.001","18.1855","0.0015","90","","90","","90","","1602.8","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Cl3 O8 -","- C12 H19 Cl3 O8 -","- C48 H76 Cl12 O32 -","4","1","","Zhou, Dongyu; Li, Yongshang; Jie, Huimin; Lei, Jiayan; Chen, Zi'ang; Chen, Xiaoping; Cui, Can; Luo, Huadong; Chen, Jingjing; Li, Haohong; Zheng, Huidong","Intermittent ultrasound-assisted anti-solvent crystallization for sucralose production with ultra-low aspect ratio and larger crystal size","CrystEngComm","2025","27","21","3492","3501","10.1039/D5CE00006H","","x-ray","0.71073","MoKα","","0.0864","0.0671","","","0.1591","0.1833","","","","","","1.12","","","","has coordinates","300737","2025-07-06","15:14:36",""
"7250293","7.2843","0.0006","12.0048","0.0008","18.0766","0.0012","90","","90","","90","","1580.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Cl3 O8 -","- C12 H19 Cl3 O8 -","- C48 H76 Cl12 O32 -","4","1","","Zhou, Dongyu; Li, Yongshang; Jie, Huimin; Lei, Jiayan; Chen, Zi'ang; Chen, Xiaoping; Cui, Can; Luo, Huadong; Chen, Jingjing; Li, Haohong; Zheng, Huidong","Intermittent ultrasound-assisted anti-solvent crystallization for sucralose production with ultra-low aspect ratio and larger crystal size","CrystEngComm","2025","27","21","3492","3501","10.1039/D5CE00006H","","x-ray","0.71073","MoKα","","0.0356","0.0303","","","0.0876","0.1039","","","","","","0.804","","","","has coordinates","300737","2025-07-06","15:14:37",""
"7250294","12.041","0.004","7.3141","0.0012","18.158","0.006","90","","90","","90","","1599.2","0.8","296.15","","296.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Cl3 O8 -","- C12 H19 Cl3 O8 -","- C48 H76 Cl12 O32 -","4","1","","Zhou, Dongyu; Li, Yongshang; Jie, Huimin; Lei, Jiayan; Chen, Zi'ang; Chen, Xiaoping; Cui, Can; Luo, Huadong; Chen, Jingjing; Li, Haohong; Zheng, Huidong","Intermittent ultrasound-assisted anti-solvent crystallization for sucralose production with ultra-low aspect ratio and larger crystal size","CrystEngComm","2025","27","21","3492","3501","10.1039/D5CE00006H","","","0.71073","MoKα","","0.1385","0.0572","","","0.1279","0.1737","","","","","","0.857","","","","has coordinates","300737","2025-07-06","15:14:37",""
"7250295","7.2691","0.0014","11.947","0.002","17.987","0.003","90","","90","","90","","1562.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 Cl3 O8 -","- C12 H19 Cl3 O8 -","- C48 H76 Cl12 O32 -","4","1","","Zhou, Dongyu; Li, Yongshang; Jie, Huimin; Lei, Jiayan; Chen, Zi'ang; Chen, Xiaoping; Cui, Can; Luo, Huadong; Chen, Jingjing; Li, Haohong; Zheng, Huidong","Intermittent ultrasound-assisted anti-solvent crystallization for sucralose production with ultra-low aspect ratio and larger crystal size","CrystEngComm","2025","27","21","3492","3501","10.1039/D5CE00006H","","x-ray","0.71073","MoKα","","0.0555","0.04","","","0.104","0.1258","","","","","","0.868","","","","has coordinates","300737","2025-07-06","15:14:37",""
"7250300","26.336","0.0019","9.3587","0.0005","15.4039","0.0008","90","","90","","90","","3796.6","0.4","143.15","","143.15","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C38 H38 N10 O4 -","- C38 H38 N10 O4 -","- C152 H152 N40 O16 -","4","1","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","x-ray","0.71073","MoKα","","0.0983","0.053","","","0.1135","0.1392","","","","","","1.019","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250301","8.2859","0.0007","8.7094","0.0009","11.086","0.0009","102.35","0.008","100.096","0.007","105.742","0.008","728.67","0.13","293.15","","293.15","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N10 -","- C30 H22 N10 -","- C30 H22 N10 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","1.54184","CuKα","","0.0992","0.0619","","","0.1548","0.1805","","","","","","1.05","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250302","11.1575","0.0005","8.9502","0.0004","16.065","0.0008","90","","90.969","0.004","90","","1604.05","0.13","143.15","","143.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H28 N12 -","- C34 H28 N12 -","- C68 H56 N24 -","2","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","x-ray","0.71073","MoKα","","0.0624","0.0441","","","0.1089","0.1184","","","","","","1.074","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250303","11.6712","0.0002","18.7282","0.0003","24.0317","0.0004","90","","103.377","0.002","90","","5110.35","0.15","113.15","","113.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 N10 -","- C37 H30 N10 -","- C222 H180 N60 -","6","1.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","x-ray","0.71073","MoKα","","0.0625","0.0502","","","0.1309","0.1382","","","","","","1.021","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250304","14.1431","0.0005","9.8855","0.0003","22.1824","0.0012","90","","106.036","0.004","90","","2980.7","0.2","123","","123.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C31 H24 Cl2 N10 -","- C31 H24 Cl2 N10 -","- C124 H96 Cl8 N40 -","4","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.0634","0.0492","","","0.1203","0.1277","","","","","","1.021","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250305","9.6542","0.0006","11.4847","0.001","11.5991","0.0009","112.246","0.008","95.182","0.006","103.22","0.007","1136.24","0.18","143.15","","143.15","","","","","","","","","4","P -1","-P 1","2","","","","- C54 H42 N10 O2 -","- C54 H42 N10 O2 -","- C54 H42 N10 O2 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.2316","0.1422","","","0.2521","0.2901","","","","","","1.194","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250306","12.2866","0.0004","8.6175","0.0003","16.7215","0.0005","90","","90.982","0.003","90","","1770.21","0.1","200.15","","200.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 Cl4 N10 -","- C34 H30 Cl4 N10 -","- C68 H60 Cl8 N20 -","2","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.0479","0.0412","","","0.1034","0.1073","","","","","","1.04","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250307","8.175","0.0004","9.1048","0.0005","11.3499","0.0006","81.725","0.004","77.867","0.004","76.129","0.004","797.93","0.07","143.15","","143.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H27 I N10 -","- C36 H27 I N10 -","- C36 H27 I N10 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.0729","0.0517","","","0.129","0.1415","","","","","","1.019","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250308","11.7987","0.0004","19.0987","0.0004","23.8997","0.0006","90","","103.244","0.003","90","","5242.3","0.3","143.15","","143.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 Cl2 N10 -","- C36 H26 Cl2 N10 -","- C216 H156 Cl12 N60 -","6","1.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.1134","0.0775","","","0.2194","0.2429","","","","","","1.05","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250309","9.3409","0.0008","12.7905","0.0011","16.1963","0.0014","70.868","0.008","83.072","0.007","82.513","0.007","1806.3","0.3","143.19","0.13","143.15","","","","","","","","","3","P -1","-P 1","2","","","","- C40 H32 N12 -","- C40 H32 N12 -","- C80 H64 N24 -","2","1","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","1.54184","CuKα","","0.1146","0.0787","","","0.2206","0.2491","","","","","","1.072","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250310","9.0161","0.0004","12.198","0.0006","16.1054","0.0007","90","","99.256","0.004","90","","1748.18","0.14","143.15","","143.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H38 N10 O2 -","- C38 H38 N10 O2 -","- C76 H76 N20 O4 -","2","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","x-ray","0.71073","MoKα","","0.0985","0.0591","","","0.1201","0.1343","","","","","","1.008","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250311","9.0545","0.0002","12.3215","0.0003","16.3699","0.0003","90","","92.908","0.002","90","","1823.96","0.07","200","0.1","200.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N12 O2 -","- C36 H36 N12 O2 -","- C72 H72 N24 O4 -","2","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","1.54184","CuKα","","0.0606","0.0529","","","0.1458","0.1565","","","","","","1.029","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250312","10.4303","0.0007","11.1097","0.001","11.7866","0.001","65.92","0.009","69.939","0.007","85.587","0.007","1168.1","0.2","200","0.1","200.15","","","","","","","","","3","P -1","-P 1","2","","","","- C54 H46 N10 -","- C54 H46 N10 -","- C54 H46 N10 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","1.54184","CuKα","","0.1042","0.0614","","","0.1388","0.1704","","","","","","0.99","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250313","10.4879","0.0005","10.8573","0.0005","11.2117","0.0005","68.012","0.004","68.117","0.004","86.081","0.004","1094.75","0.1","143.15","","143.15","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 N10 S4 -","- C46 H38 N10 S4 -","- C46 H38 N10 S4 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.1227","0.0997","","","0.2861","0.314","","","","","","1.077","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250314","8.7836","0.0004","12.5914","0.0005","15.6251","0.0009","90","","96.763","0.005","90","","1716.08","0.14","143.15","","143.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 N10 O2 -","- C36 H34 N10 O2 -","- C72 H68 N20 O4 -","2","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","x-ray","0.71073","MoKα","","0.0931","0.0623","","","0.1608","0.1837","","","","","","1.041","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250315","8.1115","0.0004","8.9633","0.0006","11.383","0.0007","82.417","0.005","78.205","0.005","77.833","0.005","788.51","0.08","143.15","","143.15","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H27 Cl N10 -","- C36 H27 Cl N10 -","- C36 H27 Cl N10 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.1132","0.0864","","","0.2622","0.2888","","","","","","1.08","","","","has coordinates,has disorder","300740","2025-07-06","15:15:47",""
"7250316","8.1539","0.0006","8.5097","0.0005","10.9361","0.0011","101.144","0.007","101.548","0.007","102.714","0.006","702.52","0.1","143.15","","143.15","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N10 -","- C30 H22 N10 -","- C30 H22 N10 -","1","0.5","","Watanabe, Kosuke; Sugiyama, Haruki; Segawa, Yasutomo","Diverse tetracyanodihydrodipyrazinopyrazine clathrate crystals assembled from weak intermolecular interactions","CrystEngComm","2025","27","21","3552","3559","10.1039/D5CE00289C","","","0.71073","MoKα","","0.0954","0.0475","","","0.1097","0.1275","","","","","","1.019","","","","has coordinates","300740","2025-07-06","15:15:47",""
"7250317","6.3892","0.0004","19.6003","0.0015","10.357","0.0006","90","","90","","90","","1297.01","0.15","293","2","293","2","","","","","","","","5","C c c m","-C 2 2c","66","","","","- Al3.43 Na8.72 Ni2.58 O32 P8 -","- Al3.42 Na8.72 Ni2.58 O32 P8 -","- Al6.84 Na17.44 Ni5.16 O64 P16 -","2","0.125","","Yakubovich, Olga; Kiriukhina, Galina; Manokhina, Elizaveta; Volkov, Anatoly; Dimitrova, Olga; Shvanskaya, Larisa; Vasiliev, Alexander","Na4.3Ni1.3Al1.7(PO4)4 structure transformation from stuffed α-CrPO4 type driven by the incorporation of Na: magnetism and ionic migration","CrystEngComm","2025","27","21","3576","3583","10.1039/D5CE00268K","","","0.71073","MoKα","","0.0632","0.0551","","","0.1182","0.121","","","","","","1.23","","","","has coordinates","300742","2025-07-06","15:16:05",""
"7250320","18.6884","0.0005","13.4365","0.0004","14.1149","0.0004","90","","95.665","0.003","90","","3527.04","0.17","120","","120","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H16 Cl5 In N2 O2 -","- C12 H16 Cl5 In N2 O2 -","- C96 H128 Cl40 In8 N16 O16 -","8","1","","Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals","CrystEngComm","2025","27","19","2993","2997","10.1039/D5CE00203F","","","0.71073","MoKα","","0.0183","0.0169","","","0.0412","0.0418","","","","","","1.0446","","","","has coordinates","300695","2025-07-06","15:02:45",""
"7250321","18.4183","0.0011","12.9016","0.0008","13.7365","0.0009","90","","93.937","0.005","90","","3256.4","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Bi2 Cl10 N4 -","- C24 H24 Bi2 Cl10 N4 -","- C96 H96 Bi8 Cl40 N16 -","4","0.5","","Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals","CrystEngComm","2025","27","19","2993","2997","10.1039/D5CE00203F","","","0.71073","MoKα","","0.0234","0.021","","","0.0503","0.0512","","","","","","1.0455","","","","has coordinates","300695","2025-07-06","15:02:45",""
"7250322","13.3333","0.0005","13.3333","0.0005","8.8676","0.0006","90","","90","","90","","1576.45","0.14","120","","120","","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C24 H32 Cl7 In N4 O4 -","- C24 H32 Cl7 In N4 O4 -","- C48 H64 Cl14 In2 N8 O8 -","2","0.25","","Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals","CrystEngComm","2025","27","19","2993","2997","10.1039/D5CE00203F","","","0.71073","MoKα","","0.0283","0.0268","","","0.0736","0.0743","","","","","","1.0207","","","","has coordinates","300695","2025-07-06","15:02:45",""
"7250323","7.1093","0.0003","14.9953","0.0005","32.2219","0.0013","90","","91.529","0.003","90","","3433.8","0.2","120","","120","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C12 H12 Cl6 N2 Sn -","- C12 H12 Cl6 N2 Sn -","- C96 H96 Cl48 N16 Sn8 -","8","1","","Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals","CrystEngComm","2025","27","19","2993","2997","10.1039/D5CE00203F","","","0.71073","MoKα","","0.0459","0.0357","","","0.0656","0.0679","","","","","","1.0602","","","","has coordinates","300695","2025-07-06","15:02:45",""
"7250324","11.2944","0.0005","37.3407","0.0014","15.8762","0.0007","90","","90","","90","","6695.6","0.5","120","","120","","","","","","","","","6","C 2 2 21","C 2c 2","20","","","","- C96 H100 Cl40 N16 O Sb8 -","- C96 H100 Cl40 N16 O Sb8 -","- C192 H200 Cl80 N32 O2 Sb16 -","2","0.25","","Kusumoto, Sotaro; Usuda, Kippei; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient [2 + 2] photodimerization in metal chloride-templated organic crystals","CrystEngComm","2025","27","19","2993","2997","10.1039/D5CE00203F","","","0.71073","MoKα","","0.0212","0.0204","","","0.0486","0.049","","","","","","1.0347","","","","has coordinates,has disorder","300695","2025-07-06","15:02:45",""
"7250325","7.517","0.0001","12.2366","0.0002","13.2587","0.0002","115.091","0.002","103.453","0.001","90.178","0.001","1066.99","0.03","120","2","120","","","","","","","","","7","P -1","-P 1","2","","","","- C16 H18 Ag F6 N6 O2 P -","- C16 H18 Ag F6 N6 O2 P -","- C32 H36 Ag2 F12 N12 O4 P2 -","2","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0231","0.0226","","","0.0584","0.0587","","","","","","1.056","","","","has coordinates,has disorder","300715","2025-07-06","15:08:26",""
"7250326","8.8771","0.0002","10.4273","0.0003","13.5713","0.0004","83.66","0.002","72.55","0.002","84.305","0.002","1188.18","0.06","120","0.1","120","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C18 H21 Ag F6 N7 O2 P -","- C18 H21 Ag F6 N7 O2 P -","- C36 H42 Ag2 F12 N14 O4 P2 -","2","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0358","0.0338","","","0.1028","0.1051","","","","","","1.106","","","","has coordinates,has disorder","300715","2025-07-06","15:08:27",""
"7250327","8.5896","0.0001","23.3498","0.0002","9.9286","0.0001","90","","98.579","0.001","90","","1969.05","0.04","119.95","0.16","119.95","0.16","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C15 H18 Ag F6 N4 O3 P -","- C15 H18 Ag F6 N4 O3 P -","- C60 H72 Ag4 F24 N16 O12 P4 -","4","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0293","0.0277","","","0.073","0.0741","","","","","","1.045","","","","has coordinates","300715","2025-07-06","15:08:27",""
"7250328","10.9019","0.0001","12.7011","0.0002","12.2951","0.0002","90","","90.935","0.001","90","","1702.23","0.04","120.01","0.1","120.01","0.1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 F6 I N4 O2 P -","- C12 H12 F6 I N4 O2 P -","- C48 H48 F24 I4 N16 O8 P4 -","4","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0311","0.0305","","","0.079","0.0794","","","","","","1.091","","","","has coordinates","300715","2025-07-06","15:08:27",""
"7250329","9.5048","0.0002","10.1625","0.0002","13.6806","0.0002","80.767","0.002","73.135","0.002","85.06","0.002","1247.13","0.04","119.98","0.13","119.98","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C18 H21 F6 I N7 O2 P -","- C18 H21 F6 I N7 O2 P -","- C36 H42 F12 I2 N14 O4 P2 -","2","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0549","0.0512","","","0.1474","0.1525","","","","","","1.094","","","","has coordinates,has disorder","300715","2025-07-06","15:08:27",""
"7250330","7.8185","0.0001","8.9131","0.0001","14.4394","0.0003","91.167","0.001","96.566","0.001","99.162","0.001","986.12","0.03","119.81","0.1","119.81","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C36 H36 F6 I N12 O6 P -","- C36 H36 F6 I N12 O6 P -","- C36 H36 F6 I N12 O6 P -","1","0.5","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0181","0.0181","","","0.0482","0.0482","","","","","","1.044","","","","has coordinates","300715","2025-07-06","15:08:27",""
"7250331","9.6283","0.0003","10.63453","0.00018","11.1454","0.0002","70.4689","0.0018","67.86","0.002","80.4421","0.0018","995.19","0.04","119.6","0.6","119.6","0.6","","","","","","","","7","P -1","-P 1","2","","","","- C14 H15 F6 I N5 O2 P -","- C14 H15 F6 I N5 O2 P -","- C28 H30 F12 I2 N10 O4 P2 -","2","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0198","0.0191","","","0.0505","0.0508","","","","","","1.071","","","","has coordinates","300715","2025-07-06","15:08:27",""
"7250332","13.7177","0.0002","11.8709","0.0002","10.3823","0.0002","90","","92.41","0.002","90","","1689.17","0.05","120.02","0.1","120.02","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 F6 I N4 O2 P -","- C12 H12 F6 I N4 O2 P -","- C48 H48 F24 I4 N16 O8 P4 -","4","0.5","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0174","0.017","","","0.0425","0.0426","","","","","","1.112","","","","has coordinates","300715","2025-07-06","15:08:27",""
"7250333","9.4467","0.0002","10.3832","0.0002","11.175","0.0002","73.189","0.002","88.64","0.001","88.125","0.002","1048.6","0.04","119.99","0.13","119.99","0.13","","","","","","","","7","P -1","-P 1","2","","","","- C15 H18 F6 I N4 O3 P -","- C15 H18 F6 I N4 O3 P -","- C30 H36 F12 I2 N8 O6 P2 -","2","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.025","0.0234","","","0.062","0.0633","","","","","","1.076","","","","has coordinates","300715","2025-07-06","15:08:27",""
"7250334","7.1197","0.0004","10.6071","0.0005","14.9177","0.0008","101.982","0.004","103.673","0.005","90.888","0.004","1068.33","0.1","120.01","0.1","120.01","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C12.65 H14.6 F6 I N4 O2.65 P -","- C12.65 H14.6 F6 I N4 O2.65 P -","- C25.3 H29.2 F12 I2 N8 O5.3 P2 -","2","1","","Mohan, Sharath; Valkonen, Arto; Rissanen, Kari; Ward, Jas S.","Hierarchical iodine(i) complexes of nicotinamide","CrystEngComm","2025","27","20","3295","3301","10.1039/D5CE00339C","","x-ray","1.54184","CuKα","","0.0749","0.0645","","","0.1661","0.1719","","","","","","1.057","","","","has coordinates,has disorder","300715","2025-07-06","15:08:27",""
"7250335","8.8102","0.0007","15.3893","0.0011","15.4064","0.0012","99.086","0.002","102.942","0.002","101.262","0.002","1951.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","none","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)propane-1,3-diamine3-methylcyclohexanone clathrate","","- C52 H50 N2 O -","- C52 H50 N2 O -","- C104 H100 N4 O2 -","2","1","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C.","The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones","CrystEngComm","2025","27","20","3279","3294","10.1039/D5CE00298B","","","0.71073","MoKα","","0.1305","0.0621","","","0.1246","0.1515","","","","","","1.02","","","","has coordinates,has disorder","300717","2025-07-06","15:09:11",""
"7250336","8.8224","0.0006","15.4017","0.0011","15.5782","0.0011","98.682","0.002","104.994","0.002","102.791","0.002","1944.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","none","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)propane-1,3-diamine 4-methylcyclohexanone clathrate","","- C52 H50 N2 O -","- C52 H50 N2 O -","- C104 H100 N4 O2 -","2","1","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C.","The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones","CrystEngComm","2025","27","20","3279","3294","10.1039/D5CE00298B","","","0.71073","MoKα","","0.0679","0.0537","","","0.1114","0.1173","","","","","","1.088","","","","has coordinates","300717","2025-07-06","15:09:12",""
"7250337","8.7792","0.0013","15.35","0.002","15.553","0.002","98.013","0.005","105.903","0.005","101.393","0.005","1933.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","none","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)propane-1,3-diamine 2-methylcyclohexanone clathrate","","- C52 H50 N2 O -","- C52 H50 N2 O -","- C104 H100 N4 O2 -","2","1","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C.","The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones","CrystEngComm","2025","27","20","3279","3294","10.1039/D5CE00298B","","","0.71073","MoKα","","0.1884","0.1641","","","0.2969","0.308","","","","","","1.226","","","","has coordinates,has disorder","300717","2025-07-06","15:09:12",""
"7250338","9.2379","0.0005","9.5888","0.0005","12.5881","0.0007","93.28","0.002","101.236","0.002","115.915","0.0019","970.82","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","N,N'-bis(9-phenyl-9-thioxanthenyl)-butane-1,4-diamine","","- C49 H48 N2 O S2 -","- C49 H48 N2 O S2 -","- C49 H48 N2 O S2 -","1","0.5","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C.","The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones","CrystEngComm","2025","27","20","3279","3294","10.1039/D5CE00298B","","","0.71073","MoKα","","0.082","0.0667","","","0.1439","0.1558","","","","","","1.188","","","","has coordinates,has disorder","300717","2025-07-06","15:09:12",""
"7250339","15.1599","0.001","11.4773","0.0006","21.8168","0.0014","90","","90","","90","","3796","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","none","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)propane-1,3-diamine cyclohexanone clathrate","","- C51 H48 N2 O -","- C51 H48 N2 O -","- C204 H192 N8 O4 -","4","1","","Trollip, Danica B.; Barton, Benita; Caira, Mino R.; Hosten, Eric C.","The behaviour of two diamino-derived host compounds in cyclohexanone and isomeric methylcyclohexanones","CrystEngComm","2025","27","20","3279","3294","10.1039/D5CE00298B","","","0.71073","MoKα","","0.0579","0.054","","","0.135","0.1379","","","","","","1.053","","","","has coordinates","300717","2025-07-06","15:09:12",""
"7250345","8.9399","0.0008","10.9873","0.0009","22.232","0.0017","85.466","0.003","79.88","0.004","72.11","0.004","2045.1","0.3","119.95","","119.95","","","","","","","","","7","P -1","-P 1","2","","","","- C42 H27 Br2 Co F12 N6 P2 -","- C42 H27 Br2 Co F12 N6 P2 -","- C84 H54 Br4 Co2 F24 N12 P4 -","2","1","","Huang, Long; Zhang, Kun-Hua; Sun, Ao-Na; Zhao, Bingshan; Shi, Le; Yang, Jiong; Shao, Dong","A cobalt(ii)-terpyridine complex showing field-induced slow magnetic relaxation behavior via reverse spin-crossover","CrystEngComm","2025","27","21","3545","3551","10.1039/D5CE00223K","","","0.71073","MoKα","","0.1225","0.0551","","","0.1033","0.1317","","","","","","1.018","","","","has coordinates","300739","2025-07-06","15:15:12",""
"7250346","9.1562","0.0017","13.07","0.002","19.832","0.004","97.381","0.007","99.953","0.007","91.15","0.007","2316.1","0.7","290.02","","290.02","","","","","","","","","8","P -1","-P 1","2","","","","- C42 H32 Br2 Co F12 N6 O2 P2 -","- C42 H28 Br2 Co F12 N6 P2 -","- C84 H56 Br4 Co2 F24 N12 P4 -","2","1","","Huang, Long; Zhang, Kun-Hua; Sun, Ao-Na; Zhao, Bingshan; Shi, Le; Yang, Jiong; Shao, Dong","A cobalt(ii)-terpyridine complex showing field-induced slow magnetic relaxation behavior via reverse spin-crossover","CrystEngComm","2025","27","21","3545","3551","10.1039/D5CE00223K","","","0.71073","MoKα","","0.1025","0.0523","","","0.1183","0.1407","","","","","","1.021","","","","has coordinates","300739","2025-07-06","15:15:21",""
"7250347","26.9241","0.001","7.5422","0.0003","21.1043","0.0008","90","","106.909","0.001","90","","4100.3","0.3","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 Cl2 N2 O2 S -","- C19 H22 Cl2 N2 O2 S -","- C152 H176 Cl16 N16 O16 S8 -","8","1","","Dowdell, Zachary T.; Peach, Austin A.; Purdie, John P.; Holmes, Sean T.; Watanabe, Lara K.; Rawson, Jeremy M.; Schurko, Robert W.","Mechanochemical synthesis and 35Cl NMR crystallography of ionic cocrystals of phenothiazine drugs","CrystEngComm","2025","27","22","3752","3768","10.1039/D5CE00426H","","","0.71073","MoKα","","0.0405","0.0303","","","0.0667","0.0715","","","","","","1.052","","","","has coordinates","300685","2025-07-06","14:57:09",""
"7250348","26.8901","0.0013","7.5402","0.0004","21.1999","0.0009","90","","106.365","0.002","90","","4124.3","0.3","170","2","170","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H23 Cl2 N2 O2 S -","- C19 H23 Cl2 N2 O2 S -","- C152 H184 Cl16 N16 O16 S8 -","8","1","","Dowdell, Zachary T.; Peach, Austin A.; Purdie, John P.; Holmes, Sean T.; Watanabe, Lara K.; Rawson, Jeremy M.; Schurko, Robert W.","Mechanochemical synthesis and 35Cl NMR crystallography of ionic cocrystals of phenothiazine drugs","CrystEngComm","2025","27","22","3752","3768","10.1039/D5CE00426H","","","0.71073","MoKα","","0.0352","0.0305","","","0.0737","0.0765","","","","","","1.074","","","","has coordinates","300685","2025-07-06","14:57:10",""
"7250349","5.5401","0.0001","21.2296","0.0006","31.9506","0.0007","90","","90","","90","","3757.84","0.15","100.02","0.11","100.02","0.11","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C160 H144 N48 O32 -","16","2","","Qin, Changsheng; Li, Chenxu; Gao, Fang; Wang, Jingfang; Zhang, Zhihua; Zhang, Shuai; Li, Xinyue; Sun, Yi; Hu, Meiqian; Wang, Shoucai; Ji, Fanghua; Jiang, Guangbin","A photo-Fenton-like (trideutero)methylation reaction of N/O heterocycles with DMSO(-d6) induced by EDA complex photocatalysis","Green Chemistry","2025","27","21","6206","6212","10.1039/D4GC05939E","","x-ray","0.71073","MoKα","","0.0574","0.0402","","","0.0945","0.1037","","","","","","1.036","","","","has coordinates","301019","2025-07-06","17:23:04",""
"7250351","15.9487","0.0008","7.4063","0.0004","9.5158","0.0005","90","","90","","90","","1124.01","0.1","295","2","295","2","","","","","","","","3","P n a 21","P 2c -2n","33","","1,3,3-trimethyl-2-oxabicycle[2.2.2] octane-5,8-diol","","- C10 H20 O4 -","- C10 H20 O4 -","- C40 H80 O16 -","4","1","","Galvez, Carolina E.; Piro, Oscar E.; Echeverría, Gustavo A.; Vignesh, Krishnan; Thamotharan, Subbiah; Loandos, María del H.; Gil, Diego M.","Supramolecular assembly mediated by hydrogen bonds and weak noncovalent interactions in two eucalyptol derivatives with potential antineoplastic activity: crystal structure, Hirshfeld surface analysis, DFT calculations and molecular docking analysis","CrystEngComm","2025","27","22","3806","3822","10.1039/D5CE00308C","","x-ray","0.71073","MoKα","","0.0703","0.0478","","","0.1056","0.1223","","","","","","1.033","","","","has coordinates","300683","2025-07-06","14:56:17",""
"7250352","7.7247","0.0003","8.6013","0.0004","18.5304","0.0008","90","","90","","90","","1231.21","0.09","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1,3,3-trimethyl-2-oxabicycle[2.2.2]octane-5-acetyl-8-oxo","","- C12 H18 O4 -","- C12 H18 O4 -","- C48 H72 O16 -","4","1","","Galvez, Carolina E.; Piro, Oscar E.; Echeverría, Gustavo A.; Vignesh, Krishnan; Thamotharan, Subbiah; Loandos, María del H.; Gil, Diego M.","Supramolecular assembly mediated by hydrogen bonds and weak noncovalent interactions in two eucalyptol derivatives with potential antineoplastic activity: crystal structure, Hirshfeld surface analysis, DFT calculations and molecular docking analysis","CrystEngComm","2025","27","22","3806","3822","10.1039/D5CE00308C","","x-ray","0.71073","MoKα","","0.0633","0.0441","","","0.095","0.107","","","","","","1.011","","","","has coordinates","300683","2025-07-06","14:56:17",""
"7250356","10.3111","0.0003","4.75675","0.00013","11.9502","0.0004","90","","92.026","0.003","90","","585.76","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C26 H18 Br4 N2 O2 -","2","1","","Zhang, Zaixiang; Li, Xin; Liu, Junyu; Wang, Manman; Yang, Yang; Wang, Deyin","Similar polymorphism of derivatives of salicylideneanilines with varying halo-substitution","CrystEngComm","2025","27","21","3594","3604","10.1039/D5CE00057B","","x-ray","1.54184","CuKα","","0.03","0.0299","","","0.0848","0.0848","","","","","","1.056","","","","has coordinates","300741","2025-07-06","15:15:57",""
"7250357","10.1482","0.0005","4.7544","0.0002","11.9871","0.0008","90","","92.605","0.005","90","","577.76","0.05","113.15","","113.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C26 H18 Br2 Cl2 N2 O2 -","2","0.5","","Zhang, Zaixiang; Li, Xin; Liu, Junyu; Wang, Manman; Yang, Yang; Wang, Deyin","Similar polymorphism of derivatives of salicylideneanilines with varying halo-substitution","CrystEngComm","2025","27","21","3594","3604","10.1039/D5CE00057B","","x-ray","0.71073","MoKα","","0.0555","0.0537","","","0.1259","0.1266","","","","","","1.391","","","","has coordinates,has disorder","300741","2025-07-06","15:15:58",""
"7250358","10.1919","0.0005","4.7204","0.0002","11.9836","0.0006","90","","92.458","0.004","90","","576","0.05","113.15","","113.15","","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C26 H18 Br2 Cl2 N2 O2 -","2","1","","Zhang, Zaixiang; Li, Xin; Liu, Junyu; Wang, Manman; Yang, Yang; Wang, Deyin","Similar polymorphism of derivatives of salicylideneanilines with varying halo-substitution","CrystEngComm","2025","27","21","3594","3604","10.1039/D5CE00057B","","x-ray","0.71073","MoKα","","0.049","0.0421","","","0.0932","0.0994","","","","","","1.051","","","","has coordinates","300741","2025-07-06","15:15:58",""
"7250368","7.1705","0.0006","13.2915","0.0012","11.4194","0.0009","90","","90","","90","","1088.35","0.16","296","2","296","2","","","","","","","","5","P n n a","-P 2a 2bc","52","","","","- C10 H8 Ag N3 O3 -","- C10 H8 Ag N3 O3 -","- C40 H32 Ag4 N12 O12 -","4","0.5","","Dar, Rouf Ali; Hashmi, Athar Adil","Synthesis, structural analysis, and properties of silver-based 1D and 3D coordination polymers","CrystEngComm","2025","27","24","4090","4101","10.1039/D4CE01242A","","","0.71073","MoKα","","0.1153","0.0546","","","0.0925","0.1094","","","","","","1.147","","","","has coordinates","300677","2025-07-06","14:54:37",""
"7250369","5.7471","0.0001","10.678","0.0003","12.9823","0.0003","98.574","0.002","96.369","0.001","97.329","0.002","774.46","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H9 Ag2 O4 -","- C17 H9 Ag2 O4 -","- C34 H18 Ag4 O8 -","2","1","","Dar, Rouf Ali; Hashmi, Athar Adil","Synthesis, structural analysis, and properties of silver-based 1D and 3D coordination polymers","CrystEngComm","2025","27","24","4090","4101","10.1039/D4CE01242A","","","0.71073","MoKα","","0.0642","0.0405","","","0.0674","0.0742","","","","","","1.072","","","","has coordinates","300677","2025-07-06","14:54:37",""
"7250376","14.064","0.002","14.064","0.002","23.056","0.005","90","","90","","120","","3949.4","1.2","150","0.1","150","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","2-fur-Zn7.3H2O","2-fur-Zn7","","- C65 H88 N8 O29 Zn7 -","- C60 H78 N8 O24 Zn7 -","- C120 H156 N16 O48 Zn14 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0836","0.0582","","","0.1528","0.1656","","","","","","1.055","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250377","14.1","0.002","14.1","0.002","22.702","0.005","90","","90","","120","","3908.7","1.2","149.9","0.1","149.9","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[2-Fur-Co7].3H2O","2-Fur-Co7","","- C59 H76 Co7 N8 O29 -","- C54 H66 Co7 N8 O24 -","- C108 H132 Co14 N16 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0954","0.0777","","","0.2159","0.2313","","","","","","1.071","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250378","13.8241","0.0001","13.8241","0.0001","23.4073","0.0004","90","","90","","120","","3873.96","0.08","100","0.2","100","0.2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[Cou-Ni7].3H2O","Coumarin-Ni7","","- C63 H78 N8 Ni7 O29 -","- C54 H66 N8 Ni7 O24 -","- C108 H132 N16 Ni14 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0603","0.0575","","","0.1884","0.1923","","","","","","1.132","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250379","13.8183","0.0005","13.8183","0.0005","23.1848","0.0014","90","","90","","120","","3833.9","0.3","150.1","0.1","150.1","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[3-fur-Ni7].3H2O","3-Fur-Ni7","","- C59 H76 N8 Ni7 O29 -","- C54 H66 N8 Ni7 O24 -","- C108 H132 N16 Ni14 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.099","0.0793","","","0.2261","0.2398","","","","","","1.125","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250380","14.098","0.002","14.098","0.002","22.706","0.005","90","","90","","120","","3908.3","1.2","150","0.1","150","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[3-fur-Co7].4.5H2O","3-Fur-Co7","","- C59 H79 Co7 N8 O30.5 -","- C54 H66 Co7 N8 O24 -","- C108 H132 Co14 N16 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.1275","0.0936","","","0.2519","0.2778","","","","","","1.089","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250381","14.01","","14.01","","23.002","","90","","90","","120","","3909.96","","173","0.2","173","0.2","","","","","","","","5","P -3 c 1","-P 3 2""c","165","Bzal-Zn7.5H2O","","","- C67 H82 N8 O30 Zn7 -","- C60 H78 N8 O24 Zn7 -","- C120 H156 N16 O48 Zn14 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.6889","synchrotron","","0.0432","0.0416","","","0.136","0.1373","","","","","","1.069","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250382","14.1434","0.0001","14.1434","0.0001","22.9392","0.0002","90","","90","","120","","3973.9","0.05","100","0.1","100","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[Ap-Co7].7H2O","AP-Co7","","- C68 H100 Co7 N8 O32 -","- C60 H78 Co7 N8 O24 -","- C120 H156 Co14 N16 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0743","0.0719","","","0.2024","0.2042","","","","","","1.22","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250383","14.0528","0.0001","14.0528","0.0001","23.008","0.0002","90","","90","","120","","3934.91","0.05","100","0.1","100","0.1","","","","","","","","5","P -3 c 1","-P 3 2""c","165","[2-AF-Co7].7H2O","AF-Co7","","- C66 H98 Co7 N8 O33 -","- C60 H78 Co7 N8 O24 -","- C120 H156 Co14 N16 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0644","0.0635","","","0.1781","0.179","","","","","","1.186","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250384","13.8113","0.0001","13.8113","0.0001","23.2351","0.0001","90","","90","","120","","3838.35","0.04","100","2","100.15","","","","","","","","","5","P -3 c 1","-P 3 2""c","165","","AF-Ni7","","- C60 H78 N8 Ni7 O24 -","- C60 H78 N8 Ni7.00002 O24 -","- C120 H156 N16 Ni14 O48 -","2","0.166667","","Slater-Parry, Mari; Meally, Seán T.; Ratanasakprakan, Chotima; Townrow, David E.; Ellaby, Rebecca J.; Page, Samuel J.; Jones, Leigh F.","Pseudo [M(ii)7] (M = Co, Ni and Zn) metallocalix[6]arene hosts encapsulate a range of organic guest molecules in the solid state","CrystEngComm","2025","27","22","3823","3832","10.1039/D5CE00341E","","","0.71073","MoKα","","0.0753","0.0747","","","0.2238","0.2246","","","","","","1.0266","","","","has coordinates","300684","2025-07-06","14:56:59",""
"7250385","8.3991","0.0011","11.6602","0.0015","12.1285","0.0016","90","","103.325","0.006","90","","1155.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C56 H44 N4 O8 S4 -","4","1","","Kutasevich, Alexandra G.; Nikitina, Evgeniya V.; Novoselskaya, Yana S.; Grigoriev, Mikhail S.; Brazhkin, Vadim V.; Kia, Reza; Zubkov, Fedor I.; Gomila, Rosa M.; Frontera, Antonio","Synthesis and structure of 7-thiabicyclo[2.2.1]heptenes: functional complementarity of the sulfur atom and the ethenyl fragment","CrystEngComm","2025","27","23","3947","3956","10.1039/D4CE01118J","","","0.71073","MoKα","","0.106","0.0513","","","0.0756","0.0859","","","","","","0.801","","","","has coordinates","300734","2025-07-06","15:13:41",""
"7250386","10.7276","0.0012","6.3628","0.0007","17.39","0.002","90","","93.131","0.004","90","","1185.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C56 H44 N4 O8 S4 -","4","1","","Kutasevich, Alexandra G.; Nikitina, Evgeniya V.; Novoselskaya, Yana S.; Grigoriev, Mikhail S.; Brazhkin, Vadim V.; Kia, Reza; Zubkov, Fedor I.; Gomila, Rosa M.; Frontera, Antonio","Synthesis and structure of 7-thiabicyclo[2.2.1]heptenes: functional complementarity of the sulfur atom and the ethenyl fragment","CrystEngComm","2025","27","23","3947","3956","10.1039/D4CE01118J","","","0.71073","MoKα","","0.1087","0.0542","","","0.1012","0.1218","","","","","","1.017","","","","has coordinates,has disorder","300734","2025-07-06","15:13:42",""
"7250387","17.5842","0.0013","17.5842","0.0013","9.8889","0.0008","90","","90","","120","","2648","0.4","100","2","100","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C14 H11 N O2 S -","- C14 H11 N O2 S -","- C126 H99 N9 O18 S9 -","9","1","","Kutasevich, Alexandra G.; Nikitina, Evgeniya V.; Novoselskaya, Yana S.; Grigoriev, Mikhail S.; Brazhkin, Vadim V.; Kia, Reza; Zubkov, Fedor I.; Gomila, Rosa M.; Frontera, Antonio","Synthesis and structure of 7-thiabicyclo[2.2.1]heptenes: functional complementarity of the sulfur atom and the ethenyl fragment","CrystEngComm","2025","27","23","3947","3956","10.1039/D4CE01118J","","","0.71073","MoKα","","0.0484","0.0392","","","0.0766","0.0801","","","","","","1.014","","","","has coordinates","300734","2025-07-06","15:13:42",""
"7250388","6.1053","0.0013","13.209","0.003","16.219","0.004","90","","90","","90","","1308","0.5","293.15","","293.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 N3 -","- C17 H15 N3 -","- C68 H60 N12 -","4","1","","Xu, Dongping; Jin, Lizhen; Huang, Mengya; Zhang, Wu","Visible-light-induced selenium-mediated cascade cyclization of 2-isocyanobenzonitriles with secondary amines to access indole-fused polycyclics","Green Chemistry","2025","27","23","6880","6886","10.1039/D5GC01245G","","","0.71073","MoKα","","0.0664","0.045","","","0.1177","0.1328","","","","","","0.8525","","","","has coordinates","301017","2025-07-06","17:22:40",""
"7250389","18.961","0.003","9.692","0.0017","16.557","0.003","90","","113.01","0.003","90","","2800.6","0.8","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N6 Se2 -","- C30 H26 N6 Se2 -","- C120 H104 N24 Se8 -","4","1","","Xu, Dongping; Jin, Lizhen; Huang, Mengya; Zhang, Wu","Visible-light-induced selenium-mediated cascade cyclization of 2-isocyanobenzonitriles with secondary amines to access indole-fused polycyclics","Green Chemistry","2025","27","23","6880","6886","10.1039/D5GC01245G","","x-ray","0.71073","MoKα","","0.0724","0.0415","","","0.0976","0.109","","","","","","1.011","","","","has coordinates","301017","2025-07-06","17:22:40",""
"7250390","13.095","0.003","13.262","0.003","14.744","0.003","90","","104.812","0.003","90","","2475.4","0.9","297.15","","297.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 Cl3 N3 -","- C26 H24 Cl3 N3 -","- C104 H96 Cl12 N12 -","4","1","","Xu, Dongping; Jin, Lizhen; Huang, Mengya; Zhang, Wu","Visible-light-induced selenium-mediated cascade cyclization of 2-isocyanobenzonitriles with secondary amines to access indole-fused polycyclics","Green Chemistry","2025","27","23","6880","6886","10.1039/D5GC01245G","","","0.71073","MoKα","","0.1304","0.0566","","","0.1353","0.1706","","","","","","0.943","","","","has coordinates","301017","2025-07-06","17:22:40",""
"7250391","9.3995","0.0013","11.6864","0.0012","15.4113","0.0013","90","","95.098","0.001","90","","1686.2","0.3","293.15","","293.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N3 -","- C20 H21 N3 -","- C80 H84 N12 -","4","1","","Xu, Dongping; Jin, Lizhen; Huang, Mengya; Zhang, Wu","Visible-light-induced selenium-mediated cascade cyclization of 2-isocyanobenzonitriles with secondary amines to access indole-fused polycyclics","Green Chemistry","2025","27","23","6880","6886","10.1039/D5GC01245G","","","0.71073","MoKα","","0.0847","0.0509","","","0.127","0.1451","","","","","","1.042","","","","has coordinates","301017","2025-07-06","17:22:40",""
"7250393","8.0489","0.0009","8.2275","0.0008","8.8795","0.0009","65.458","0.01","78.475","0.009","73.773","0.01","511.22","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 N4 O3 -","- C8 H14 N4 O3 -","- C16 H28 N8 O6 -","2","1","","Mal, Susital; Franco, Chris H. J.; Kumar, Binay; Kirillov, Alexander M.; Das, Subrata","Exploring uracil derivatives: synthesis, crystal structure insights, and antibacterial activity","CrystEngComm","2025","27","21","3456","3466","10.1039/D5CE00362H","","x-ray","0.71073","MoKα","","0.0645","0.0507","","","0.1373","0.1494","","","","","","1.051","","","","has coordinates,has disorder","300744","2025-07-06","15:16:19",""
"7250394","5.1105","0.0006","7.7802","0.0009","13.1733","0.0013","77.211","0.009","89.735","0.009","76.363","0.01","495.76","0.1","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C7 H12 N2 O6 -","- C7 H12 N2 O6 -","- C14 H24 N4 O12 -","2","1","","Mal, Susital; Franco, Chris H. J.; Kumar, Binay; Kirillov, Alexander M.; Das, Subrata","Exploring uracil derivatives: synthesis, crystal structure insights, and antibacterial activity","CrystEngComm","2025","27","21","3456","3466","10.1039/D5CE00362H","","x-ray","0.71073","MoKα","","0.0673","0.0566","","","0.1543","0.1627","","","","","","1.074","","","","has coordinates","300744","2025-07-06","15:16:20",""
"7250398","3.6489","","5.2142","","11.601","","90","","92.336","","90","","220.538","","900","0.8","900","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.068","0.0515","","","0.1263","0.1352","","","","2.1742","2.1742","2.0051","","","","has coordinates","300679","2025-07-06","14:55:11",""
"7250399","3.6486","0.0003","5.2056","0.0004","11.5352","0.001","90","","92.607","0.007","90","","218.86","0.03","750","0.6","750","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B Ca O -","- B Ca O2.5 -","- B4 Ca4 O10 -","4","1","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0564","0.0366","","","0.0389","0.041","","","","1.3942","1.3942","1.2063","","","","has coordinates","300679","2025-07-06","14:55:14",""
"7250400","3.6444","0.0004","5.2008","0.0004","11.54","0.001","90","","92.62","0.008","90","","218.5","0.03","699.8","0.8","699.8","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B Ca O -","- B Ca O2.5 -","- B4 Ca4 O10 -","4","1","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0547","0.0368","","","0.0399","0.0417","","","","1.5362","1.5362","1.3453","","","","has coordinates","300679","2025-07-06","14:55:14",""
"7250401","3.6429","","5.2104","","11.6055","","90","","92.277","","90","","220.11","","850","0.7","850","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.1752","0.0528","","","0.1081","0.128","","","","2.3548","2.3548","1.2859","","","","has coordinates","300679","2025-07-06","14:55:14",""
"7250402","3.6595","","5.2202","","11.589","","90","","92.198","","90","","221.226","","1000","1","1000","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0725","0.0548","","","0.1198","0.124","","","","2.806","2.806","2.4294","","","","has coordinates","300679","2025-07-06","14:55:14",""
"7250403","3.6696","","5.2199","","11.6056","","90","","92.172","","90","","222.145","","1100","1","1100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0588","0.0425","","","0.0922","0.0959","","","","2.1929","2.1929","1.9211","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250404","3.6501","0.0003","5.2064","0.0003","11.5393","0.0009","90","","92.563","0.006","90","","219.07","0.03","770","0.5","770","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B Ca O -","- B Ca O2.5 -","- B4 Ca4 O10 -","4","1","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0462","0.0322","","","0.035","0.0367","","","","1.4942","1.4942","1.347","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250405","3.6124","0.0003","5.1861","0.0003","11.5194","0.0008","90","","92.945","0.006","90","","215.52","0.03","300.1","0.6","300.1","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0323","0.0269","","","0.0365","0.0371","","","","1.7753","1.7753","1.6587","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250406","3.6283","0.0003","5.194","0.0003","11.5264","0.001","90","","92.814","0.007","90","","216.96","0.03","500","0.4","500","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B Ca O -","- B Ca O2.5 -","- B4 Ca4 O10 -","4","1","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.0366","0.0286","","","0.0344","0.0354","","","","1.5459","1.5459","1.4379","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250407","3.6402","","5.2095","","11.6161","","90","","92.301","","90","","220.106","","840","0.6","840","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.1216","0.0576","","","0.1271","0.1355","","","","2.7885","2.7885","1.7848","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250408","3.6368","","5.2083","","11.6259","","90","","92.257","","90","","220.042","","810","","810","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.1071","0.0601","","","0.0821","0.0873","","","","2.3576","2.3576","1.7009","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250409","3.6396","","5.2104","","11.6194","","90","","92.307","","90","","220.169","","830","0.6","830","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- B2 Ca2 O5 -","- B2 Ca2 O5 -","- B4 Ca4 O10 -","2","0.5","","Kopylova, Yu. O.; Volkov, S. N.; Krzhizhanovskaya, M. G.; Banaru, A. M.; Yukhno, V. A.; Aksenov, S. M.; Bubnova, R. S.","Thermal evolution of the Ca2B2O5 crystal structure through γ ↔ β′ ↔ α phase transitions and the crystal structure of the incommensurately modulated β′-phase","CrystEngComm","2025","27","24","4196","4208","10.1039/D5CE00200A","","x-ray","0.71073","MoKα","","0.1484","0.0518","","","0.1035","0.1198","","","","2.0117","2.0117","1.2209","","","","has coordinates","300679","2025-07-06","14:55:15",""
"7250411","16.8237","0.0006","12.2192","0.0004","18.3904","0.0007","90","","106.431","0.002","90","","3626.2","0.2","296.15","0.03","296.15","0.03","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H38 N24 O16 S3 -","- C18 H38 N24 O16 S3 -","- C72 H152 N96 O64 S12 -","4","1","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, J. N.","Influence of organic and alkali metal cations over a crystal lattice of the benzenetrihydroxy trisulfonate ligand","CrystEngComm","2025","27","24","4116","4124","10.1039/D5CE00320B","","","0.71073","MoKα","","0.0578","0.0426","","","0.1061","0.1169","","","","","","1.017","","","","has coordinates","300680","2025-07-06","14:55:35",""
"7250412","12.8318","0.0009","12.185","0.0009","25.4468","0.0018","90","","90","","90","","3978.7","0.5","296.15","0.02","296.15","0.02","","","","","","","","6","C m c e","-C 2ac 2","64","","","","- C8 H19 N6 Na3 O14 S3 -","- C8 H15 N6 Na3 O14 S3 -","- C64 H120 N48 Na24 O112 S24 -","8","0.5","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, J. N.","Influence of organic and alkali metal cations over a crystal lattice of the benzenetrihydroxy trisulfonate ligand","CrystEngComm","2025","27","24","4116","4124","10.1039/D5CE00320B","","","0.71073","MoKα","","0.045","0.0361","","","0.0899","0.0953","","","","","","1.065","","","","has coordinates,has disorder","300680","2025-07-06","14:55:35",""
"7250413","8.8233","0.0004","19.8695","0.0009","18.6688","0.0008","90","","90","","90","","3272.9","0.3","296","2","296","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C6 H7 K3 O14 S3 -","- C6 H3 K3 O14 S3 -","- C48 H24 K24 O112 S24 -","8","0.5","","Tiwari, Ranjay K.; Kumar, Jitendra; Behera, J. N.","Influence of organic and alkali metal cations over a crystal lattice of the benzenetrihydroxy trisulfonate ligand","CrystEngComm","2025","27","24","4116","4124","10.1039/D5CE00320B","","","0.71073","MoKα","","0.0345","0.0292","","","0.0787","0.0821","","","","","","1.045","","","","has coordinates","300680","2025-07-06","14:55:35",""
"7250417","12.8541","0.0007","8.4683","0.0005","15.3887","0.0009","90","","110.066","0.006","90","","1573.41","0.17","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Cao, Xi-Ying; Li, Zhong-Hao; Cao, Xiao-Hui; Li, Zong; Pang, Chu-Ming; Zhang, Zu-Qi; Wang, Zhao-Yang","Multifunctional 3-cyanopyridine compounds: synthesis based on a tandem reaction with 100% atom economy and their applications","Green Chemistry","2025","27","24","7300","7306","10.1039/D5GC01264C","","x-ray","0.71073","MoKα","","0.0863","0.0645","","","0.1588","0.1742","","","","","","1.017","","","","has coordinates","300999","2025-07-06","17:19:13",""
"7250418","7.1028","0.0013","8.8291","0.0016","12.7916","0.0017","90","","95.609","0.013","90","","798.3","0.2","297","","297","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H16 Cl N3 O -","- C17 H16 Cl N3 O -","- C34 H32 Cl2 N6 O2 -","2","1","","Cao, Xi-Ying; Li, Zhong-Hao; Cao, Xiao-Hui; Li, Zong; Pang, Chu-Ming; Zhang, Zu-Qi; Wang, Zhao-Yang","Multifunctional 3-cyanopyridine compounds: synthesis based on a tandem reaction with 100% atom economy and their applications","Green Chemistry","2025","27","24","7300","7306","10.1039/D5GC01264C","","x-ray","0.71073","MoKα","","0.0755","0.0526","","","0.1048","0.1159","","","","","","1.029","","","","has coordinates,has disorder","300999","2025-07-06","17:19:13",""
"7250419","9.0084","0.0003","8.7513","0.0002","15.7194","0.0004","90","","99.743","0.003","90","","1221.37","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 N2 O -","- C14 H12 N2 O -","- C56 H48 N8 O4 -","4","1","","Li, Kai; Li, Tong; Zhang, Yupu; Yang, Hao; Sun, Qi; Wang, Zhiyong","Switching between α-alkenylation and α-alkylation of nitriles by coupling multiple electrochemical methods","Green Chemistry","2025","27","23","6734","6740","10.1039/D5GC01206F","","x-ray","1.54184","CuKα","","0.0495","0.0382","","","0.0948","0.1025","","","","","","1.061","","","","has coordinates","301016","2025-07-06","17:22:26",""
"7250420","7.5524","0.0004","8.9178","0.0005","9.358","0.0005","83.619","0.004","80.454","0.005","66.215","0.005","568.07","0.06","296.74","0.1","296.74","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 N2 O2 S -","- C12 H14 N2 O2 S -","- C24 H28 N4 O4 S2 -","2","1","","Lei, Zhi-Long; Tan, Dan; Qin, Jin-Tao; Meng, Xiu-Jin; Cui, Fei-Hu; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemical selective incorporation of SO2 to synthesize fused-ring framework compounds","Green Chemistry","2025","27","23","6825","6830","10.1039/D5GC01138H","","","1.54178","CuKα","","0.0918","0.0844","","","0.2608","0.2676","","","","","","1.116","","","","has coordinates","301015","2025-07-06","17:22:19",""
"7250421","11.2743","0.0001","24.3447","0.0003","11.0893","0.0002","90","","96.945","0.001","90","","3021.34","0.07","295.81","0.1","295.81","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O5 S2 -","- C13 H16 N2 O5 S2 -","- C104 H128 N16 O40 S16 -","8","2","","Lei, Zhi-Long; Tan, Dan; Qin, Jin-Tao; Meng, Xiu-Jin; Cui, Fei-Hu; Tang, Hai-Tao; Pan, Ying-Ming","Electrochemical selective incorporation of SO2 to synthesize fused-ring framework compounds","Green Chemistry","2025","27","23","6825","6830","10.1039/D5GC01138H","","x-ray","1.54184","CuKα","","0.0807","0.0686","","","0.1843","0.1916","","","","","","1.066","","","","has coordinates,has disorder","301015","2025-07-06","17:22:19",""
"7250425","14.6656","0.0007","13.5195","0.0006","23.2999","0.0011","90","","107","0.005","90","","4417.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H36 Cl18 N4 O12 Tb2 -","- C70 H36 Cl18 N4 O12 Tb2 -","- C140 H72 Cl36 N8 O24 Tb4 -","2","0.5","","Cai, Ziyan; Li, Ping; Yu, Xiaobo; Lai, Lin; Yu, Cilin; Hu, Yuan; Gao, Xiaolei; Zeng, Chenghui","Visual sensing Ni2+ in real samples with test paper based on a new dinuclear terbium complex","CrystEngComm","2025","27","25","4304","4311","10.1039/D5CE00117J","","","0.71073","MoKα","","0.0627","0.0504","","","0.141","0.1517","","","","","","0.985","","","","has coordinates","300711","2025-07-06","15:07:20",""
"7250428","6.5974","0.0009","13.245","0.002","8.8593","0.0013","90","","92.415","0.004","90","","773.46","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 Eu Na O9 S -","- C2 H4 Eu Na O9 S -","- C8 H16 Eu4 Na4 O36 S4 -","4","1","","Yuan, Yue; Huang, Liangliang; Lu, Yang; Shao, Xin; Bi, Yanfeng","A dual-function europium sulfite–oxalate complex for proton conduction and selection of Fe3+ ions","CrystEngComm","2025","27","28","4844","4850","10.1039/D5CE00458F","","","0.71073","MoKα","","0.0178","0.0172","","","0.0393","0.0398","","","","","","1.069","","","","has coordinates","301561","2025-08-05","21:32:36",""
"7250429","9.6781","0.0011","9.9149","0.0011","27.66","0.003","90","","99.307","0.003","90","","2619.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 I2 N6 O4 Zn -","- C20 H28 I2 N6 O4 Zn -","- C80 H112 I8 N24 O16 Zn4 -","4","1","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0405","0.0331","","","0.0934","0.0979","","","","","","1.056","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250430","7.53","0.004","8.876","0.005","12.919","0.007","71.439","0.013","74.215","0.013","68.987","0.012","751.9","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H28 Br2 Cd N8 O4 -","- C28 H28 Br2 Cd N8 O4 -","- C28 H28 Br2 Cd N8 O4 -","1","0.5","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0466","0.0275","","","0.0562","0.0629","","","","","","1.048","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250431","38.197","0.002","4.6289","0.0002","17.4981","0.0009","90","","116.519","0.0016","90","","2768.3","0.2","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H22 Hg2 I4 N4 O2 -","- C18 H22 Hg2 I4 N4 O2 -","- C72 H88 Hg8 I16 N16 O8 -","4","0.5","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0465","0.0315","","","0.0651","0.0697","","","","","","1.026","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250432","8.9922","0.0008","11.0373","0.0011","11.2843","0.0011","93.85","0.002","112.858","0.0019","111.598","0.0019","930.25","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Cd I2 N4 O2 -","- C14 H14 Cd I2 N4 O2 -","- C28 H28 Cd2 I4 N8 O4 -","2","1","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.1166","0.0488","","","0.0608","0.0746","","","","","","0.969","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250433","8.61","0.02","10.55","0.03","10.87","0.03","94.51","0.06","112.25","0.06","110.1","0.08","833","4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 I2 N4 O2 Zn -","- C14 H14 I2 N4 O2 Zn -","- C28 H28 I4 N8 O4 Zn2 -","2","1","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.236","0.0824","","","0.1235","0.1568","","","","","","1.014","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250434","8.5935","0.0006","5.121","0.0004","21.3841","0.0016","90","","99.26","0.002","90","","928.79","0.12","296","2","296","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C14 H14 Hg I2 N4 O2 -","- C14 H14 Hg I2 N4 O2 -","- C28 H28 Hg2 I4 N8 O4 -","2","0.5","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0497","0.0361","","","0.0914","0.0993","","","","","","1.055","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250435","8.263","0.0005","24.8667","0.0015","9.4656","0.0006","90","","115.88","","90","","1749.87","0.19","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Br2 Cd2 N8 O8 -","- C30 H28 Br2 Cd2 N8 O8 -","- C60 H56 Br4 Cd4 N16 O16 -","2","0.5","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0326","0.0254","","","0.0564","0.0592","","","","","","1.031","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250436","8.9249","0.001","11.0499","0.0013","11.3056","0.0013","94.773","0.003","112.746","0.002","110.951","0.002","927.97","0.19","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Hg I2 N4 O2 -","- C14 H14 Hg I2 N4 O2 -","- C28 H28 Hg2 I4 N8 O4 -","2","1","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.1403","0.0486","","","0.0595","0.0771","","","","","","0.944","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250437","17.859","0.002","13.892","0.002","10.4606","0.0013","90","","124.251","0.003","90","","2145.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H22 Cd N4 O10 -","- C16 H22 Cd N4 O10 -","- C64 H88 Cd4 N16 O40 -","4","0.5","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0378","0.0282","","","0.0543","0.0582","","","","","","1.048","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250438","8.1474","0.0003","22.1923","0.0008","9.4033","0.0003","90","","113.027","0.0009","90","","1564.73","0.1","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Br2 Cd N8 O4 -","- C28 H28 Br2 Cd N8 O4 -","- C56 H56 Br4 Cd2 N16 O8 -","2","0.5","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0403","0.0272","","","0.0538","0.0574","","","","","","1.034","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250439","12.0191","0.0015","13.5251","0.0017","14.9707","0.0018","90","","109.607","0.003","90","","2292.5","0.5","296","2","296","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C18 H22 Cd I2 N4 O2 -","- C18 H22 Cd I2 N4 O2 -","- C72 H88 Cd4 I8 N16 O8 -","4","1","","Rasphone, Arigna; Zhang, Hong-Chuan; Lee, Yun-Syuan; Ye, Yu-Hui; Kuo, Ying-Tong; Lai, Yi-Fang; Chen, Zhi-Ling; Wang, Song-Wei; Chen, Jhy-Der","Zn(ii), Cd(ii) and Hg(ii) halide coordination polymers supported by bis-pyridyl-bis-amide: structural diversity and structural transformation","CrystEngComm","2025","27","25","4404","4414","10.1039/D5CE00465A","","","0.71073","MoKα","","0.0916","0.0383","","","0.05","0.063","","","","","","1.006","","","","has coordinates","300713","2025-07-06","15:08:06",""
"7250440","14.3166","0.0004","10.3015","0.0003","17.545","0.0004","90","","90","","90","","2587.58","0.12","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C13 H15 N3 S -","- C13 H15 N3 S -","- C104 H120 N24 S8 -","8","1","","Zhou, Honghao; Zhang, Yike; Ma, Liting; Liu, Xiangyang; Zhang, Chun; Tong, Feifei; Hu, Dandan; Zhang, Jun-Qi; Yang, Jianguo","Electrochemically driven tandem addition–cyclization: synthesis of thiadiazinanes and thiophosphonates","Green Chemistry","2025","27","24","7336","7343","10.1039/D5GC01831E","","","1.54178","CuKα","","0.0389","0.0361","","","0.1055","0.1074","","","","","","1.074","","","","has coordinates","301000","2025-07-06","17:19:21",""
"7250441","8.9241","0.0002","9.106","0.0002","10.2978","0.0002","70.545","0.002","74.245","0.002","74.481","0.002","744.8","0.03","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C36 H32 O6 -","2","1","","He, Yicheng; Unnikrishnan, Krishnapriya Anattil; Yin, Wenhao; Kuniyil, Rositha; Du, Haifeng; Guo, Wusheng","B(C6F5)3-catalysed cyclic carbonate editing","Green Chemistry","2025","27","23","6741","6746","10.1039/D5GC01888A","","x-ray","1.54184","CuKα","","0.0416","0.0406","","","0.1103","0.1111","","","","","","1.048","","","","has coordinates","301018","2025-07-06","17:22:52",""
"7250442","43.284","0.004","20.552","0.0017","26.903","0.002","90","","126.944","0.001","90","","19127","3","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C45 H30 N15 Ni3 O56 W12 -","- C45 H30 N15 Ni3 O56 W12 -","- C360 H240 N120 Ni24 O448 W96 -","8","1","","Jiao, Jiachen; Zhang, Chuanbao; Sun, Hui; Hu, Haina; Xu, Ziqing; Zhao, Junwei; Han, Qiuxia; Ma, Pengtao","Photocatalytic oxidation of various C–H bonds by a polyoxometalate nanocluster-dominated compartmentalized metal–organic framework","Green Chemistry","2025","27","25","7608","7619","10.1039/D5GC00269A","","","0.71073","MoKα","","0.073","0.0435","","","0.1091","0.1301","","","","","","1.023","","","","has coordinates","301006","2025-07-06","17:20:46",""
"7250447","8.9767","0.0009","9.9167","0.0011","13.7275","0.0016","90","","90","","90","","1222","0.2","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C5 H14 Cl4 Cu N2 -","- C5 H14 Cl4 Cu N2 -","- C20 H56 Cl16 Cu4 N8 -","4","1","","Zuo, Kang; Yu, Ruisi; Bao, Wei; Shao, Shuai; Cao, Qing-Ling; Du, Hao; Tian, Linna; Zhao, Jia-Jia; Chen, Li-Zhuang","A stable and sensitive organic–inorganic hybrid reversible thermochromic material: [1-(2-fluoroethyl)piperazine]2[CuCl4]","CrystEngComm","2025","27","27","4707","4712","10.1039/D5CE00330J","","","0.71073","MoKα","","0.0347","0.0315","","","0.074","0.0754","","","","","","1.091","","","","has coordinates","301564","2025-08-05","21:33:15",""
"7250448","7.5307","0.0012","9.9035","0.0017","17.459","0.003","90","","90","","90","","1302.1","0.4","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H15 Cl4 Cu N2 -","- C6 H15 Cl4 Cu N2 -","- C24 H60 Cl16 Cu4 N8 -","4","1","","Zuo, Kang; Yu, Ruisi; Bao, Wei; Shao, Shuai; Cao, Qing-Ling; Du, Hao; Tian, Linna; Zhao, Jia-Jia; Chen, Li-Zhuang","A stable and sensitive organic–inorganic hybrid reversible thermochromic material: [1-(2-fluoroethyl)piperazine]2[CuCl4]","CrystEngComm","2025","27","27","4707","4712","10.1039/D5CE00330J","","","0.71073","MoKα","","0.0394","0.0351","","","0.0842","0.0862","","","","","","1.006","","","","has coordinates","301564","2025-08-05","21:33:16",""
"7250449","7.5451","0.0005","17.9299","0.0011","9.7675","0.0005","90","","102.46","0.004","90","","1290.25","0.14","296","2","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H15 Cl4 Cu F N2 -","- C6 H15 Cl4 Cu F N2 -","- C24 H60 Cl16 Cu4 F4 N8 -","4","1","","Zuo, Kang; Yu, Ruisi; Bao, Wei; Shao, Shuai; Cao, Qing-Ling; Du, Hao; Tian, Linna; Zhao, Jia-Jia; Chen, Li-Zhuang","A stable and sensitive organic–inorganic hybrid reversible thermochromic material: [1-(2-fluoroethyl)piperazine]2[CuCl4]","CrystEngComm","2025","27","27","4707","4712","10.1039/D5CE00330J","","","0.71073","MoKα","","0.0349","0.0298","","","0.0721","0.0748","","","","","","1.081","","","","has coordinates","301564","2025-08-05","21:33:16",""
"7250453","8.214","0.002","11.435","0.003","17.873","0.005","101.983","0.008","96.261","0.008","101.317","0.008","1590.5","0.7","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H31 N7 O9 -","- C33 H31 N7 O9 -","- C66 H62 N14 O18 -","2","1","","Singh, Abhay Pratap; Baruah, Jubaraj Bikash","Ternary assembly of pyrazine 2,3-dicarboxylic acid with a ditopic amine","CrystEngComm","2025","27","26","4498","4507","10.1039/D5CE00391A","","","0.71073","MoKα","","0.1497","0.076","","","0.1756","0.2227","","","","","","1.025","","","","has coordinates","300690","2025-07-06","14:58:26",""
"7250454","10.504","0.003","11.035","0.003","12.357","0.004","72.607","0.008","81.828","0.009","87.451","0.009","1352.9","0.7","299","2","299","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 N5 O7 -","- C28 H33 N5 O7 -","- C56 H66 N10 O14 -","2","1","","Singh, Abhay Pratap; Baruah, Jubaraj Bikash","Ternary assembly of pyrazine 2,3-dicarboxylic acid with a ditopic amine","CrystEngComm","2025","27","26","4498","4507","10.1039/D5CE00391A","","","0.71073","MoKα","","0.0813","0.0613","","","0.1456","0.1629","","","","","","1.053","","","","has coordinates","300690","2025-07-06","14:58:27",""
"7250455","16.1471","0.0011","8.4748","0.0005","11.769","0.0007","90","","105.399","0.003","90","","1552.69","0.17","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Au Cl3 N3 O -","- C10 H17 Au Cl3 N3 O -","- C40 H68 Au4 Cl12 N12 O4 -","4","1","","Buils, Jordi; Terrón, Angel; Barceló-Oliver, Miquel; Fiol, Juan Jesús; García-Raso, Angel; Gomila, Rosa M.; Frontera, Antonio","Synthesis, X-ray characterization, and DFT calculations of gold–nucleobase complexes: on the importance of regium bonds and anion–π interactions","CrystEngComm","2025","27","24","4081","4089","10.1039/D5CE00363F","","","1.54178","CuKα","","0.0641","0.0493","","","0.1094","0.1203","","","","","","1.063","","","","has coordinates,has disorder","300676","2025-07-06","14:54:28",""
"7250456","6.8686","0.0009","10.7183","0.0014","20.6","0.003","84.708","0.006","86.889","0.006","72.364","0.005","1438.6","0.3","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H36 Au Cl5 N6 O2 -","- C20 H36 Au Cl5 N6 O2 -","- C40 H72 Au2 Cl10 N12 O4 -","2","1","","Buils, Jordi; Terrón, Angel; Barceló-Oliver, Miquel; Fiol, Juan Jesús; García-Raso, Angel; Gomila, Rosa M.; Frontera, Antonio","Synthesis, X-ray characterization, and DFT calculations of gold–nucleobase complexes: on the importance of regium bonds and anion–π interactions","CrystEngComm","2025","27","24","4081","4089","10.1039/D5CE00363F","","","1.54178","CuKα","","0.1102","0.1083","","","0.2842","0.2851","","","","","","1.176","","","","has coordinates,has disorder","300676","2025-07-06","14:54:28",""
"7250457","62.932","0.002","62.932","0.002","5.69893","0.00015","90","","90","","120","","19546.4","1","297","2","297","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C756 H1026 N54 O270 -","54","3","","Steenhaut, Timothy; Li, Xiao; Zhou, Fuli; Robeyns, Koen; Leyssens, Tom; Filinchuk, Yaroslav; Shemchuk, Oleksii","A hydrogen-bonded organic framework with ultramicroporous channels based on proline and dl-2-phenoxypropionic acid","CrystEngComm","2025","27","23","3887","3890","10.1039/D5CE00357A","","","0.71073","MoKα","","0.1305","0.0795","","","0.1496","0.1672","","","","","","1.097","","","","has coordinates,has disorder","300735","2025-07-06","15:14:03",""
"7250458","62.5573","0.0016","62.5573","0.0016","5.6698","0.00014","90","","90","","120","","19215.6","0.8","150","2","150","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C756 H1026 N54 O270 -","54","3","","Steenhaut, Timothy; Li, Xiao; Zhou, Fuli; Robeyns, Koen; Leyssens, Tom; Filinchuk, Yaroslav; Shemchuk, Oleksii","A hydrogen-bonded organic framework with ultramicroporous channels based on proline and dl-2-phenoxypropionic acid","CrystEngComm","2025","27","23","3887","3890","10.1039/D5CE00357A","","","0.71073","MoKα","","0.0818","0.05","","","0.1109","0.118","","","","","","1.036","","","","has coordinates","300735","2025-07-06","15:14:04",""
"7250459","10.5916","0.0003","10.6052","0.0005","11.5225","0.0004","113.549","0.004","95.905","0.003","115.253","0.004","1013.11","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H52 N6 O16 Tb2 -","- C28 H52 N6 O16 Tb2 -","- C28 H52 N6 O16 Tb2 -","1","0.5","","Ushakov, Daniil A.; Ryadun, Alexey A.; Kovalenko, Konstantin A.; Kirilyuk, Igor A.; Demakov, Pavel A.; Fedin, Vladimir P.","Solvatomorphism, CO2 adsorption and luminescence properties of non-aromatic bis-hydroxamate-based metal–organic frameworks","CrystEngComm","2025","27","27","4699","4706","10.1039/D5CE00383K","","x-ray","0.71073","MoKα","","0.0343","0.0314","","","0.0736","0.0757","","","","","","1.03","","","","has coordinates,has disorder","301566","2025-08-05","21:33:43",""
"7250460","9.7692","0.0004","10.1377","0.0004","10.6609","0.0006","72.938","0.004","72.646","0.004","63.374","0.004","884.97","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H46 N4 O16 Tb2 -","- C24 H46 N4 O16 Tb2 -","- C24 H46 N4 O16 Tb2 -","1","0.5","","Ushakov, Daniil A.; Ryadun, Alexey A.; Kovalenko, Konstantin A.; Kirilyuk, Igor A.; Demakov, Pavel A.; Fedin, Vladimir P.","Solvatomorphism, CO2 adsorption and luminescence properties of non-aromatic bis-hydroxamate-based metal–organic frameworks","CrystEngComm","2025","27","27","4699","4706","10.1039/D5CE00383K","","x-ray","0.71073","MoKα","","0.0295","0.0243","","","0.0495","0.0521","","","","","","1.034","","","","has coordinates,has disorder","301566","2025-08-05","21:33:43",""
"7250461","5.619","0.0005","8.2905","0.0007","11.0972","0.0009","99.262","0.003","99.099","0.003","102.841","0.003","487.25","0.07","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C18 H30 N2 O8 -","2","1","","Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel","Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids","CrystEngComm","2025","27","27","4686","4698","10.1039/D5CE00380F","","x-ray","0.71073","MoKα","","0.0437","0.0392","","","0.1056","0.109","","","","","","1.034","","","","has coordinates","301563","2025-08-05","21:33:06",""
"7250462","5.6275","0.0003","9.642","0.0005","11.8288","0.0006","100.639","0.002","90.079","0.002","102.129","0.002","616.18","0.06","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C28 H26 N2 O8 -","2","1","","Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel","Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids","CrystEngComm","2025","27","27","4686","4698","10.1039/D5CE00380F","","","1.54178","CuKα","","0.0416","0.0415","","","0.1096","0.1096","","","","","","1.122","","","","has coordinates","301563","2025-08-05","21:33:07",""
"7250463","8.0431","0.0007","14.8328","0.0012","16.9537","0.0014","90","","98.675","0.004","90","","1999.5","0.3","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H26 N2 O11 -","- C16 H26 N2 O11 -","- C64 H104 N8 O44 -","4","1","","Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel","Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids","CrystEngComm","2025","27","27","4686","4698","10.1039/D5CE00380F","","","1.54178","CuKα","","0.0609","0.0599","","","0.159","0.1605","","","","","","1.057","","","","has coordinates","301563","2025-08-05","21:33:07",""
"7250464","8.8182","0.0005","5.5773","0.0003","25.613","0.0014","90","","97.959","0.002","90","","1247.56","0.12","299","","299","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H17 N O6 -","- C11 H17 N O6 -","- C44 H68 N4 O24 -","4","1","","Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel","Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids","CrystEngComm","2025","27","27","4686","4698","10.1039/D5CE00380F","","","1.54178","CuKα","","0.0576","0.0551","","","0.1482","0.1502","","","","","","1.067","","","","has coordinates","301563","2025-08-05","21:33:07",""
"7250465","7.9935","0.0007","10.9224","0.001","11.3553","0.001","76.15","0.005","75.668","0.005","72.689","0.005","902.21","0.14","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C38 H42 N2 O8 -","2","1","","Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel","Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids","CrystEngComm","2025","27","27","4686","4698","10.1039/D5CE00380F","","","1.54178","CuKα","","0.1099","0.0908","","","0.2727","0.2846","","","","","","1.069","","","","has coordinates,has disorder","301563","2025-08-05","21:33:07",""
"7250466","5.6443","0.0005","17.2728","0.0014","17.5092","0.0015","90","","90","","90","","1707","0.3","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Jemai, Mahdi; Barceló-Oliver, Miquel; Marouani, Houda; Roisnel, Thierry; Frontera, Antonio; Prohens, Rafel","Structural and computational analysis of H-bond mediated anion⋯anion interactions in new salts of fumaric and maleic acids","CrystEngComm","2025","27","27","4686","4698","10.1039/D5CE00380F","","","1.54178","CuKα","","0.0435","0.0435","","","0.1095","0.1096","","","","","","1.186","","","","has coordinates","301563","2025-08-05","21:33:07",""
"7250467","20.332","0.0008","9.1554","0.0004","26.9029","0.0011","90","","108.812","0.001","90","","4740.4","0.3","200","2","200","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","9,9'-bifluorenyl-9,9'-diol","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C248 H184 N8 O16 -","8","2","","Groenewaldt, Jaime-lee; Barton, Benita; Hosten, Eric C.","The selectivity behaviour of 9,9′-bifluorenyl-9,9′-diol as a host compound for highly efficient separations of mixed pyridines","CrystEngComm","2025","27","24","4176","4188","10.1039/D5CE00432B","","","0.71073","MoKα","","0.0537","0.0453","","","0.1151","0.1201","","","","","","1.031","","","","has coordinates","300678","2025-07-06","14:54:47",""
"7250468","10.4369","0.0005","10.7155","0.0004","21.6126","0.0009","90","","90","","90","","2417.08","0.18","200","2","200","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","9,9'-bifluorenyl-9,9'-diol","","- C32 H25 N O2 -","- C32 H25 N O2 -","- C128 H100 N4 O8 -","4","1","","Groenewaldt, Jaime-lee; Barton, Benita; Hosten, Eric C.","The selectivity behaviour of 9,9′-bifluorenyl-9,9′-diol as a host compound for highly efficient separations of mixed pyridines","CrystEngComm","2025","27","24","4176","4188","10.1039/D5CE00432B","","","0.71073","MoKα","","0.0331","0.031","","","0.0818","0.0835","","","","","","1.063","","","","has coordinates","300678","2025-07-06","14:54:48",""
"7250469","20.6545","0.0007","9.0895","0.0003","27.2828","0.001","90","","109.272","0.001","90","","4835","0.3","200","2","200","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","9,9'-bifluorenyl-9,9'-diol","","- C32 H25 N O2 -","- C32 H25 N O2 -","- C256 H200 N8 O16 -","8","2","","Groenewaldt, Jaime-lee; Barton, Benita; Hosten, Eric C.","The selectivity behaviour of 9,9′-bifluorenyl-9,9′-diol as a host compound for highly efficient separations of mixed pyridines","CrystEngComm","2025","27","24","4176","4188","10.1039/D5CE00432B","","","0.71073","MoKα","","0.0564","0.0483","","","0.1216","0.127","","","","","","1.08","","","","has coordinates","300678","2025-07-06","14:54:48",""
"7250470","16.4563","0.0006","14.201","0.0006","16.436","0.0008","90","","97.994","0.002","90","","3803.7","0.3","100","1","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Cl N4 O4 -","- C19 H21 Cl N4 O4 -","- C152 H168 Cl8 N32 O32 -","8","1","","Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study","CrystEngComm","2025","27","27","4722","4733","10.1039/D5CE00243E","","","0.71073","MoKα","","0.0612","0.0363","","","0.0432","0.0465","","","","","","1","","","","has coordinates","301562","2025-08-05","21:32:55",""
"7250471","16.4563","0.0006","14.201","0.0006","16.436","0.0008","90","","97.994","0.002","90","","3803.7","0.3","100","","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Cl N4 O4 -","- C19 H21 Cl N4 O4 -","- C152 H168 Cl8 N32 O32 -","8","1","","Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study","CrystEngComm","2025","27","27","4722","4733","10.1039/D5CE00243E","","","0.71073","MoKα","","0.0723","0.0476","","","0.0655","0.0678","","","","","","0.977","","","","has coordinates","301562","2025-08-05","21:32:56",""
"7250472","16.4563","0.0006","14.201","0.0006","16.436","0.0008","90","","97.994","0.002","90","","3803.7","0.3","100","2","100","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 Cl N4 O4 -","- C19 H21 Cl N4 O4 -","- C152 H168 Cl8 N32 O32 -","8","1","","Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study","CrystEngComm","2025","27","27","4722","4733","10.1039/D5CE00243E","","x-ray","0.71073","MoKα","","0.0645","0.0395","","","0.0833","0.0974","","","","","","1.081","","","","has coordinates","301562","2025-08-05","21:32:56",""
"7250473","23.295","0.002","14.4908","0.0015","11.5884","0.0013","90","","100.772","0.003","90","","3842.9","0.7","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H19 Cl N4 O3 -","- C19 H19 Cl N4 O3 -","- C152 H152 Cl8 N32 O24 -","8","1","","Bilal, Aqsa; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","A single crystal to single crystal solvatomorphic phase transition in cocrystals of pyrimethamine with 4-hydroxybenzoic acid. An experimental and theoretical study","CrystEngComm","2025","27","27","4722","4733","10.1039/D5CE00243E","","","0.71073","MoKα","","0.2077","0.0763","","","0.135","0.1809","","","","","","1.016","","","","has coordinates","301562","2025-08-05","21:32:56",""
"7250474","5.926","0.0003","11.6332","0.0006","19.3715","0.001","90","","90","","90","","1335.44","0.12","150","2","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Chen, Yirui; Cheng, Yuqi; Tong, Wanting; Wu, Hangtao; Zhao, Chuhan; Song, Dingguo; Ling, Fei; Zhong, Weihui","Supported manganese catalysts achieve highly efficient C–H bond oxidation and olefin epoxidation","Green Chemistry","2025","27","25","7717","7727","10.1039/D5GC01164G","","x-ray","1.34138","GaKα","","0.032","0.0308","","","0.0796","0.0801","","","","","","1.052","","","","has coordinates","301005","2025-07-06","17:20:34",""
"7250475","11.839","0.002","19.437","0.003","8.4998","0.0012","90","","94.456","0.016","90","","1950","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Ag N5 S3 -","- C17 H18 Ag N5 S3 -","- C68 H72 Ag4 N20 S12 -","4","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","","0.71073","MoKα","","0.2419","0.0983","","","0.1324","0.1587","","","","","","1.002","","","","has coordinates","300682","2025-07-06","14:55:58",""
"7250476","10.4384","0.0004","7.9869","0.0004","25.5132","0.0011","90","","90","","90","","2127.05","0.16","293","","293","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C8 H9 Ag N3 O3 S -","- C8 H9 Ag N3 O3 S -","- C64 H72 Ag8 N24 O24 S8 -","8","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","x-ray","1.54184","CuKα","","0.0536","0.0372","","","0.0873","0.0966","","","","","","1.042","","","","has coordinates","300682","2025-07-06","14:56:08",""
"7250477","8.9221","0.0007","9.1495","0.0009","15.5032","0.0019","99.962","0.009","105.877","0.009","92.806","0.007","1192.7","0.2","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H21 Ag F6 N5 P S2 -","- C18 H21 Ag F6 N5 P S2 -","- C36 H42 Ag2 F12 N10 P2 S4 -","2","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","","0.71073","MoKα","","0.3091","0.0888","","","0.1023","0.1292","","","","","","1.005","","","","has coordinates,has disorder","300682","2025-07-06","14:56:08",""
"7250478","8.7606","0.0004","9.1372","0.0004","14.8333","0.0009","100.491","0.004","106.509","0.005","92.957","0.004","1112.64","0.1","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H21 Ag B F4 N5 S2 -","- C18 H21 Ag B F4 N5 S2 -","- C36 H42 Ag2 B2 F8 N10 S4 -","2","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","","0.71073","MoKα","","0.1731","0.0609","","","0.1148","0.1405","","","","","","1.009","","","","has coordinates","300682","2025-07-06","14:56:08",""
"7250479","8.7317","0.0008","9.0556","0.0008","14.9153","0.0013","100.097","0.007","106.306","0.008","92.91","0.007","1108.14","0.18","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H21 Ag Cl N5 O4 S2 -","- C18 H21 Ag Cl N5 O4 S2 -","- C36 H42 Ag2 Cl2 N10 O8 S4 -","2","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","","0.71073","MoKα","","0.1069","0.0486","","","0.0967","0.1101","","","","","","1.034","","","","has coordinates,has disorder","300682","2025-07-06","14:56:08",""
"7250480","8.2259","0.0004","12.92","0.001","16.5893","0.0012","87.868","0.006","81.755","0.005","86.775","0.005","1741.3","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H36 Ag N9 O3 S4 -","- C32 H36 Ag N9 O3 S4 -","- C64 H72 Ag2 N18 O6 S8 -","2","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","","0.71073","MoKα","","0.1513","0.0666","","","0.0682","0.0806","","","","","","0.977","","","","has coordinates","300682","2025-07-06","14:56:08",""
"7250481","8.4341","0.0003","13.2016","0.0003","16.9441","0.0006","92.035","0.002","103.887","0.003","94.377","0.002","1823.31","0.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C33 H36 Ag N9 S5 -","- C33 H36 Ag N9 S5 -","- C66 H72 Ag2 N18 S10 -","2","1","","Bahrani-Pour, Maryam; Beheshti, Azizolla; Sedaghat, Tahereh; Samiee, Sepideh; Soleymani-babadi, Susan; Shakeri, Fatemeh; Janczak, Jan; Parisi, Emmanuele","Effect of anion variation on the iodine adsorption capacity of new silver(i)-dithione coordination polymers","CrystEngComm","2025","27","24","4102","4115","10.1039/D5CE00275C","","x-ray","1.54184","CuKα","","0.0463","0.039","","","0.0963","0.1022","","","","","","1.027","","","","has coordinates","300682","2025-07-06","14:56:08",""
"7250482","24.585","0.004","11.4983","0.0018","16.964","0.005","90","","129.258","0.002","90","","3713.2","1.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H15 N4 O5.5 Zn -","- C20 H14 N4 O5.5 Zn -","- C160 H112 N32 O44 Zn8 -","8","1","","Liu, Haitao; Li, Senlin; Zhao, Bo; Gu, Yanan; Sun, Qiaozhen; Zhang, Bingguang","Central metal ion of MOFs modulates the fluorescence detection of Fe3+","CrystEngComm","2025","27","26","4582","4590","10.1039/D5CE00419E","","","0.71073","MoKα","","0.1018","0.0498","","","0.1006","0.1233","","","","","","1.014","","","","has coordinates,has disorder","300686","2025-07-06","14:57:23",""
"7250483","15.9757","0.0011","12.5349","0.0009","8.3633","0.0006","90","","90","","90","","1674.8","0.2","296","2","296","2","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C20 H12 N4 O4 Sr -","- C20 H12 N4 O4 Sr -","- C80 H48 N16 O16 Sr4 -","4","0.5","","Liu, Haitao; Li, Senlin; Zhao, Bo; Gu, Yanan; Sun, Qiaozhen; Zhang, Bingguang","Central metal ion of MOFs modulates the fluorescence detection of Fe3+","CrystEngComm","2025","27","26","4582","4590","10.1039/D5CE00419E","","","0.71073","MoKα","","0.0368","0.0235","","","0.0533","0.0567","","","","","","1.042","","","","has coordinates","300686","2025-07-06","14:57:23",""
"7250484","5.8982","0.0001","7.2515","0.0001","11.027","0.0001","90","","102.253","0.001","90","","460.89","0.011","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","potassium glycolate hemihydrate","potassium hydroxyacetate hemihydrate","","- C2 H4 K O3.5 -","- C2 H4 K O3.5 -","- C8 H16 K4 O14 -","4","1","","Hu, Mingyang; Yang, Hexiong; Huo, Xiaojia; Lian, Bin","Synthesis, structures, characterization and deterioration of potassium glycolate hemihydrate","CrystEngComm","2025","27","28","4816","4825","10.1039/D5CE00182J","","x-ray","1.54184","CuKα","","0.0272","0.0269","","","0.0685","0.0687","","","","","","1.067","","","","has coordinates","301560","2025-08-05","21:32:20",""
"7250485","3.9788","0.0001","17.5322","0.0002","10.5049","0.0001","90","","102.342","0.001","90","","715.86","0.02","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","potassium glycolate glycolic acid","potassium hydroxyacetate hydroxyacetic acid","","- C4 H7 K O6 -","- C4 H7 K O6 -","- C16 H28 K4 O24 -","4","1","","Hu, Mingyang; Yang, Hexiong; Huo, Xiaojia; Lian, Bin","Synthesis, structures, characterization and deterioration of potassium glycolate hemihydrate","CrystEngComm","2025","27","28","4816","4825","10.1039/D5CE00182J","","x-ray","1.54184","CuKα","","0.0323","0.0289","","","0.0787","0.0803","","","","","","1.08","","","","has coordinates","301560","2025-08-05","21:32:29",""
"7250487","11.9917","0.0008","12.308","0.0009","6.4995","0.0004","90","","114.554","0.002","90","","872.54","0.1","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Fe3 H2 Na0.69 O12 P3 -","- Fe3 H2 Na0.686 O12 P3 -","- Fe12 H8 Na2.744 O48 P12 -","4","0.5","","Kurashkina, Anna A.; Alekseeva, Anastasia M.; Soboleva, Iana S.; Sobolev, Alexey V.; Mironov, Andrey V.; Marikutsa, Artem V.; Mikheev, Ivan V.; Shatalova, Tatyana B.; Presniakov, Igor A.; Drozhzhin, Oleg A.; Antipov, Evgeny V.","Unraveling the transition from alluaudite to triphylite phases during LiFePO4 hydrothermal synthesis","CrystEngComm","2025","27","24","4209","4220","10.1039/D5CE00097A","powder diffraction","x-ray","1.789","CoKα","","0.0289","0.0285","","0.0385","0.038","","","","1.2","","","","","","","has coordinates","300681","2025-07-06","14:55:45",""
"7250504","22.0631","0.0012","10.1086","0.0004","21.7781","0.0011","90","","95.399","0.002","90","","4835.6","0.4","296.15","","296.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 O11 Ta2 -","- C48 H60 O11 Ta2 -","- C192 H240 O44 Ta8 -","4","0.5","","Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain","Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers","CrystEngComm","2025","27","27","4734","4743","10.1039/D5CE00444F","","","0.56086","AgKα","","0.0447","0.0281","","","0.0544","0.0628","","","","","","1.092","","","","has coordinates","301565","2025-08-05","21:33:33",""
"7250505","24.6357","0.0005","9.2183","0.0002","21.2142","0.0005","90","","94.4971","0.0009","90","","4802.9","0.18","100.1","","100.1","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C46 H64 O11 Ta2 -","- C46 H64 O11 Ta2 -","- C184 H256 O44 Ta8 -","4","0.5","","Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain","Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers","CrystEngComm","2025","27","27","4734","4743","10.1039/D5CE00444F","","","0.71073","MoKα","","0.0496","0.0346","","","0.0661","0.069","","","","","","1.073","","","","has coordinates,has disorder","301565","2025-08-05","21:33:34",""
"7250506","11.9823","0.0009","18.5216","0.0015","14.426","0.0012","90","","95.784","0.003","90","","3185.3","0.4","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H76 O20 Ta4 -","- C52 H76 O20 Ta4 -","- C104 H152 O40 Ta8 -","2","0.5","","Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain","Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers","CrystEngComm","2025","27","27","4734","4743","10.1039/D5CE00444F","","","0.56086","AgKα","","0.0428","0.0262","","","0.0461","0.0559","","","","","","1.168","","","","has coordinates,has disorder","301565","2025-08-05","21:33:34",""
"7250507","14.4485","0.0008","12.6909","0.0007","20.2649","0.001","90","","102.852","0.0016","90","","3622.8","0.3","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C68 H84 O20 Ta4 -","- C68 H84 O20 Ta4 -","- C136 H168 O40 Ta8 -","2","0.5","","Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain","Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers","CrystEngComm","2025","27","27","4734","4743","10.1039/D5CE00444F","","","0.56086","AgKα","","0.0462","0.0279","","","0.0531","0.0635","","","","","","1.214","","","","has coordinates","301565","2025-08-05","21:33:34",""
"7250508","11.3938","0.0014","23.187","0.004","24.311","0.004","87.046","0.005","78.852","0.005","80.786","0.005","6218.8","1.7","296.15","","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C224 H222 O72 Ta16 -","- C224 H222 O72 Ta16 -","- C224 H222 O72 Ta16 -","1","0.5","","Huerta, Alejandro Vieyra; Ahmed, Mahmud Beji; Essayem, Nadine; Djakovitch, Laurent; Mesbah, Adel; Loiseau, Thierry; Duval, Sylvain","Polynuclear tantalum(v) coordination complexes: from dinuclear {Ta2O} to octanuclear {Ta8O12} oxo species connected through aryl monotopic carboxylate linkers","CrystEngComm","2025","27","27","4734","4743","10.1039/D5CE00444F","","","0.56086","AgKα","","0.1258","0.0766","","","0.1469","0.1907","","","","","","1.116","","","","has coordinates","301565","2025-08-05","21:33:34",""
"7250527","7.54622","0.00004","25.77176","0.00017","13.72571","0.00007","90","","94.0002","0.0005","90","","2662.86","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Cl Dy N5 O5 -","- C25 H25 Cl Dy N5 O5 -","- C100 H100 Cl4 Dy4 N20 O20 -","4","1","","Ahmed, Naushad; Nabi, Rizwan; Zhang, Xiaoguang; Darensbourg, Donald J.","Ladder-type 1D coordination polymer of Dy(iii): synthesis and investigation of magnetic behaviour","CrystEngComm","2025","27","26","4508","4515","10.1039/D5CE00491H","","","1.54184","CuKα","","0.0264","0.0256","","","0.0672","0.0677","","","","","","1.108","","","","has coordinates","300688","2025-07-06","14:57:56",""
"7250528","11.7255","0.0013","14.4835","0.0016","13.8775","0.0015","90","","99.984","0.003","90","","2321.1","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 N2 O4 Zn -","- C22 H28 N2 O4 Zn -","- C88 H112 N8 O16 Zn4 -","4","1","","Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds","CrystEngComm","2025","27","30","5104","5125","10.1039/D5CE00304K","","","0.71073","MoKα","","0.0653","0.0457","","","0.1232","0.1354","","","","","","1.118","","","","has coordinates","301570","2025-08-05","21:35:22",""
"7250529","21.993","0.002","10.4162","0.001","18.6268","0.0019","90","","90","","90","","4267.1","0.7","273","2","273","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C40 H44 Cl4 N4 O9 Zn2 -","- C40 H44 Cl4 N4 O9 Zn2 -","- C160 H176 Cl16 N16 O36 Zn8 -","4","0.5","","Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds","CrystEngComm","2025","27","30","5104","5125","10.1039/D5CE00304K","","","0.71073","MoKα","","0.0793","0.0464","","","0.1025","0.126","","","","","","1.071","","","","has coordinates","301570","2025-08-05","21:35:23",""
"7250530","27.2641","0.0008","9.4294","0.0003","17.5738","0.0005","90","","123.972","0.001","90","","3746.8","0.2","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 Cl4 N4 O8 Zn2 -","- C36 H36 Cl4 N4 O8 Zn2 -","- C144 H144 Cl16 N16 O32 Zn8 -","4","0.5","","Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds","CrystEngComm","2025","27","30","5104","5125","10.1039/D5CE00304K","","","0.71073","MoKα","","0.0438","0.034","","","0.0852","0.0904","","","","","","1.041","","","","has coordinates","301570","2025-08-05","21:35:23",""
"7250531","7.3148","0.0005","12.0737","0.0008","17.2426","0.0012","88.103","0.002","82.599","0.002","87.794","0.002","1508.39","0.18","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H31 Cl4 N3 O5 Zn -","- C25 H31 Cl4 N3 O5 Zn -","- C50 H62 Cl8 N6 O10 Zn2 -","2","1","","Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds","CrystEngComm","2025","27","30","5104","5125","10.1039/D5CE00304K","","","0.71073","MoKα","","0.0507","0.0424","","","0.1284","0.1436","","","","","","1.117","","","","has coordinates,has disorder","301570","2025-08-05","21:35:23",""
"7250532","11.9713","0.0011","16.7097","0.0015","15.6498","0.0015","90","","98.033","0.003","90","","3099.8","0.5","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H34 Cl4 N2 O7 S Zn -","- C24 H34 Cl4 N2 O7 S Zn -","- C96 H136 Cl16 N8 O28 S4 Zn4 -","4","1","","Gishan, Md; Middya, Puspendu; Burguera, Sergi; Frontera, Antonio; Chattopadhyay, Shouvik","Synthesis, structural characterization, and DFT analysis of zinc(ii) Schiff base complexes featuring noncovalent spodium bonds","CrystEngComm","2025","27","30","5104","5125","10.1039/D5CE00304K","","","1.54178","CuKα","","0.0413","0.0412","","","0.1086","0.1087","","","","","","1.124","","","","has coordinates","301570","2025-08-05","21:35:23",""
"7250536","7.0444","0.0003","7.5521","0.0003","10.9795","0.0004","86.717","0.002","74.314","0.002","71.736","0.002","533.79","0.04","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C11 H9 Cl N2 S -","- C11 H9 Cl N2 S -","- C22 H18 Cl2 N4 S2 -","2","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","x-ray","0.71073","MoKα","K-L~3~","0.047","0.0365","","","0.0781","0.0822","","","","","","1.076","","","","has coordinates","300712","2025-07-06","15:07:43",""
"7250537","21.894","0.004","5.8084","0.0009","11.885","0.002","90","","102.21","0.02","90","","1477.2","0.4","293.15","","293.15","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Si2 -","- C14 H22 Si2 -","- C56 H88 Si8 -","4","0.5","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","","1.54184","CuKα","","0.0444","0.0421","","","0.1248","0.1281","","","","","","1.083","","","","has coordinates","300712","2025-07-06","15:07:44",""
"7250538","28.278","0.002","6.1225","0.0004","20.5471","0.0016","90","","122.03","0.002","90","","3015.8","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 Cl N2 S -","- C15.003 H17.009 Cl N2 S -","- C120.024 H136.072 Cl8 N16 S8 -","8","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","x-ray","0.71073","MoKα","K-L~3~","0.056","0.0369","","","0.0818","0.0915","","","","","","1.049","","","","has coordinates,has disorder","300712","2025-07-06","15:07:44",""
"7250539","28.4963","0.0016","10.0575","0.0005","27.113","0.002","90","","118.632","0.002","90","","6820.4","0.7","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H11 Eu N3 O11 -","- C23 H11 Eu N3 O11 -","- C184 H88 Eu8 N24 O88 -","8","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","","0.71073","MoKα","","0.0454","0.0375","","","0.0947","0.0975","","","","","","1.086","","","","has coordinates,has disorder","300712","2025-07-06","15:07:44",""
"7250540","6.0518","0.0001","7.0245","0.0002","13.5533","0.0003","88.682","0.001","80.727","0.001","74.433","0.001","547.65","0.02","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H8 Cl F N2 S -","- C11 H8 Cl F N2 S -","- C22 H16 Cl2 F2 N4 S2 -","2","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","x-ray","0.71073","MoKα","K-L~3~","0.0305","0.0267","","","0.0678","0.0704","","","","","","1.111","","","","has coordinates","300712","2025-07-06","15:07:44",""
"7250541","8.6332","0.0005","6.0348","0.0003","46.857","0.003","90","","90","","90","","2441.2","0.2","100","","100","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C12 H11 Cl N2 O S -","- C12 H11 Cl N2 O S -","- C96 H88 Cl8 N16 O8 S8 -","8","2","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","x-ray","0.71073","MoKα","K-L~3~","0.0547","0.0446","","","0.0822","0.0854","","","","","","1.138","","","","has coordinates","300712","2025-07-06","15:07:44",""
"7250542","28.4888","0.0014","10.0261","0.0004","27.1521","0.0013","90","","118.885","0.002","90","","6790.6","0.6","298.04","","298.04","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H13 N3 O11 Tb -","- C23 H11 N3 O11 Tb -","- C184 H88 N24 O88 Tb8 -","8","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","","0.71073","MoKα","","0.0536","0.039","","","0.0948","0.1001","","","","","","1.08","","","","has coordinates","300712","2025-07-06","15:07:44",""
"7250543","15.1462","0.0009","9.073","0.0005","10.1184","0.0006","90","","90.108","0.002","90","","1390.48","0.14","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H16 Cl N3 O2 S -","- C11 H16 Cl N3 O2 S -","- C44 H64 Cl4 N12 O8 S4 -","4","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","x-ray","0.71073","MoKα","K-L~3~","0.0523","0.0403","","","0.0713","0.0765","","","","","","1.143","","","","has coordinates","300712","2025-07-06","15:07:44",""
"7250544","7.4398","0.0003","8.2528","0.0003","9.8182","0.0004","73.462","0.002","77.946","0.002","82.09","0.002","563.18","0.04","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C11 H9 Cl N2 O S -","- C11 H9 Cl N2 O S -","- C22 H18 Cl2 N4 O2 S2 -","2","1","","Lin, Yang; Zhang, Wenxi; Lv, Yanjie; Zhao, Yihe; Cui, Hongtao; Sun, Jing; Li, Xiao; Zhou, Dongling; Su, Zhongmin","Lanthanide metal–organic frameworks as multifunctional sensors for chemicals and temperature","CrystEngComm","2025","27","25","4351","4359","10.1039/D5CE00382B","","x-ray","0.71073","MoKα","K-L~3~","0.0349","0.0295","","","0.0632","0.0661","","","","","","1.095","","","","has coordinates","300712","2025-07-06","15:07:44",""
"7250550","22.7381","0.0004","22.6517","0.0005","19.7113","0.0004","90","","90","","90","","10152.4","0.4","150","2","150","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C44.5 H38.25 Co2 I4 N6 O9 -","- C44.5 H38.25 Co2 I4 N6 O9 -","- C356 H306 Co16 I32 N48 O72 -","8","1","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Abramov, Pavel A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A.","Strong halogen bonds with guest molecules in a Co(ii) 2,5-diiodoterephthalate metal–organic framework","CrystEngComm","2025","27","28","4863","4867","10.1039/D5CE00440C","","","0.71073","MoKα","","0.0749","0.0506","","","0.1305","0.1397","","","","","","1.06","","","","has coordinates,has disorder","301559","2025-08-05","21:32:05",""
"7250551","15.5617","0.0005","34.0855","0.0011","14.1496","0.0005","90","","90","","90","","7505.3","0.4","150","2","150","2","","","","","","","","6","P n c 2","P 2 -2bc","30","","","","- C22.5 H20.13 Co I2 N2.87 O4.87 -","- C22.5 H20.1333 Co I2 N2.86667 O4.86667 -","- C270 H241.6 Co12 I24 N34.4 O58.4 -","12","3","","Zaguzin, Alexander S.; Zaitsev, Artem V.; Abramov, Pavel A.; Novikov, Alexander S.; Fedin, Vladimir P.; Adonin, Sergey A.","Strong halogen bonds with guest molecules in a Co(ii) 2,5-diiodoterephthalate metal–organic framework","CrystEngComm","2025","27","28","4863","4867","10.1039/D5CE00440C","","","0.71073","MoKα","","0.1018","0.0773","","","0.155","0.1653","","","","","","1.113","","","","has coordinates,has disorder","301559","2025-08-05","21:32:05",""
"7250556","12.293","0.013","14.761","0.016","14.809","0.016","115.58","0.02","109.27","0.02","97.28","0.02","2171","4","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Cu Mo4 N4 O21 -","- C36 H28 Cu Mo4 N4 O17 -","- C72 H56 Cu2 Mo8 N8 O34 -","2","1","","Zhang, Guang-yang; Sun, Ying; Zhang, Zhong; Wang, Xiu-li","Modulating central metals in 2D POMOFs for enhanced photocatalytic reduction of Cr(vi), oxidation of CEES and decolorization of MB","CrystEngComm","2025","27","26","4547","4554","10.1039/D5CE00354G","","","0.71073","MoKα","","0.1937","0.0793","","","0.1558","0.1769","","","","","","0.969","","","","has coordinates","300689","2025-07-06","14:58:10",""
"7250557","12.5568","0.0007","14.1024","0.0008","15.0205","0.0008","62.37","0.001","67.445","0.001","70.213","0.001","2133.9","0.2","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Mo4 N4 O19 Zn -","- C36 H32 Mo4 N4 O19 Zn -","- C72 H64 Mo8 N8 O38 Zn2 -","2","1","","Zhang, Guang-yang; Sun, Ying; Zhang, Zhong; Wang, Xiu-li","Modulating central metals in 2D POMOFs for enhanced photocatalytic reduction of Cr(vi), oxidation of CEES and decolorization of MB","CrystEngComm","2025","27","26","4547","4554","10.1039/D5CE00354G","","","0.71073","MoKα","","0.0384","0.0313","","","0.0901","0.0946","","","","","","1.048","","","","has coordinates,has disorder","300689","2025-07-06","14:58:19",""
"7250558","12.6641","0.0008","14.0351","0.0009","14.9858","0.001","62.904","0.001","67.23","0.001","69.827","0.001","2139.9","0.2","273.15","","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H32 Fe Mo4 N4 O19 -","- C36 H32 Fe Mo4 N4 O19 -","- C72 H64 Fe2 Mo8 N8 O38 -","2","1","","Zhang, Guang-yang; Sun, Ying; Zhang, Zhong; Wang, Xiu-li","Modulating central metals in 2D POMOFs for enhanced photocatalytic reduction of Cr(vi), oxidation of CEES and decolorization of MB","CrystEngComm","2025","27","26","4547","4554","10.1039/D5CE00354G","","","0.71073","MoKα","","0.0479","0.0312","","","0.0668","0.073","","","","","","1.016","","","","has coordinates","300689","2025-07-06","14:58:19",""
"7250559","9.2974","0.0002","10.0625","0.0002","15.8641","0.0004","76.4892","0.0019","82.2856","0.0018","71.4025","0.0019","1364.86","0.06","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H15 Cl O S -","- C15 H15 Cl O S -","- C60 H60 Cl4 O4 S4 -","4","2","","Gu, Jiayi; Xin, Meixiu; Cheng, Zhuo; Zou, Zhiru; Du, Zhibo; Cheng, Xinyi; Wang, Yan; Zou, Yong","Anti-Markovnikov hydrosulfenylation of unactivated alkenes/alkynes via visible-light organic photocatalysis","Green Chemistry","2025","27","26","7763","7770","10.1039/D5GC02604K","","x-ray","1.54184","CuKα","","0.0438","0.0417","","","0.1215","0.1235","","","","","","1.085","","","","has coordinates","301001","2025-07-06","17:19:40",""
"7250560","21.0767","0.0009","9.2205","0.0004","9.3765","0.0003","90","","95.69","0.004","90","","1813.23","0.13","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 F6 O2 S -","- C18 H16 F6 O2 S -","- C72 H64 F24 O8 S4 -","4","1","","Gu, Jiayi; Xin, Meixiu; Cheng, Zhuo; Zou, Zhiru; Du, Zhibo; Cheng, Xinyi; Wang, Yan; Zou, Yong","Anti-Markovnikov hydrosulfenylation of unactivated alkenes/alkynes via visible-light organic photocatalysis","Green Chemistry","2025","27","26","7763","7770","10.1039/D5GC02604K","","x-ray","1.54184","CuKα","","0.1189","0.103","","","0.266","0.2803","","","","","","1.11","","","","has coordinates","301001","2025-07-06","17:19:40",""
"7250561","39.925","0.015","39.925","","39.925","","90","","90","","90","","63641","2","","","294.15","","","","100","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","PIZOF-2-PNA","","- C36 N3 O23.703 Zr1.5 -","- C36 N3 O23.7029 Zr1.5 -","- C1152 N96 O758.493 Zr48 -","32","0.166667","","Langlois, Kyle R.; Wang, Yangyang; Joshua, Fnu; Newsome, Wesley J.; Zhai, Lei; Harper, James K.; Uribe-Romo, Fernando J.","A multivariate library of zirconia metal–organic frameworks with dissolved p-nitroaniline dipoles and concentration-dependent optical and dielectric response","CrystEngComm","2025","27","26","4463","4469","10.1039/D5CE00299K","powder diffraction","x-ray","1.54051","CuKα~1,2~","","","","","","0.10086","","0.22439","","2.419","","","","","","","has coordinates","300687","2025-07-06","14:57:41",""
"7250571","9.5908","0.0004","9.5908","0.0004","15.7681","0.0008","90","","90","","120","","1256.09","0.1","293","","293","","","","","","","","","5","R 3 2 :H","R 3 2""","155","","","","- C9 H15 Be2 F7 N6 -","- C9 H15 Be2 F7 N6 -","- C27 H45 Be6 F21 N18 -","3","0.166667","","Charkin, Dmitri O.; Ivanov, Semen A.; Kireev, Vadim E.; Gosteva, Alevtina N.; Kompanchenko, Alena A.; Banaru, Alexander M.; Stefanovich, Sergey Yu.; Tananaev, Ivan G.; Aksenov, Sergey M.","(C3H5N2)3[Be2F7]: the first imidazolium fluoroberyllate with a non-centrosymmetric structure based on linear tetrahedral [Be2F7]3− anions","CrystEngComm","2025","27","30","5184","5192","10.1039/D5CE00292C","","x-ray","0.71073","MoKα","","0.0227","0.0208","","","0.022","0.0223","","","","1.31","1.31","1.28","","","","has coordinates","301568","2025-08-05","21:34:40",""
"7250578","9.0381","0.0003","9.7302","0.0002","10.2613","0.0004","101.159","0.002","110.509","0.003","108.369","0.003","753.79","0.05","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N S -","- C19 H17 N S -","- C38 H34 N2 S2 -","2","1","","Yoshino, Riku; Kobayashi, Kazuki; Yang, Peiyuan; Fukumoto, Hiroki; Yasui, Motohiro; Yamada, Shigeyuki; Konno, Tsutomu; Morita, Masato","Engineering visible-to-ultraviolet emission switching of benzothiazole-based mechanoresponsive materials","CrystEngComm","2025","27","32","5398","5403","10.1039/D5CE00379B","","x-ray","0.71073","MoKα","","0.0375","0.0347","","","0.0945","0.0962","","","","","","1.091","","","","has coordinates","302568","2025-10-06","08:24:46",""
"7250579","17.7329","0.0007","18.9012","0.0004","37.568","0.0014","90","","119.535","0.005","90","","10955.5","0.8","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N S -","- C19 H17 N S -","- C532 H476 N28 S28 -","28","7","","Yoshino, Riku; Kobayashi, Kazuki; Yang, Peiyuan; Fukumoto, Hiroki; Yasui, Motohiro; Yamada, Shigeyuki; Konno, Tsutomu; Morita, Masato","Engineering visible-to-ultraviolet emission switching of benzothiazole-based mechanoresponsive materials","CrystEngComm","2025","27","32","5398","5403","10.1039/D5CE00379B","","x-ray","0.71073","MoKα","","0.1176","0.0697","","","0.1888","0.2249","","","","","","1.029","","","","has coordinates,has disorder","302568","2025-10-06","08:24:46",""
"7250583","14.2545","0.0007","18.04","0.0008","30.3498","0.0014","91.749","0.003","96.795","0.003","100.827","0.003","7600.6","0.6","193","","193","","","","","","","","","5","P -1","-P 1","2","","","","- C111 H109 Mn6 N15 O35 -","- C111 H109 Mn6 N15 O35 -","- C222 H218 Mn12 N30 O70 -","2","1","","Sun, Qing; Yang, Chen; Han, Shaoyang; Liu, Xin; Li, Meichao; Shen, Zhenlu","Construction of novel Mn-based metal–organic frameworks for regioselective cross-dehydrogenative coupling of coumarins and dimethylanilines","CrystEngComm","2025","27","29","4985","4991","10.1039/D5CE00478K","","x-ray","1.54178","CuKα","","0.1151","0.0986","","","0.2722","0.2907","","","","","","1.081","","","","has coordinates","301555","2025-08-05","21:31:07",""
"7250585","7.8315","0.0003","8.8391","0.0003","12.7423","0.0005","90","","92.95","0.002","90","","880.9","0.06","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H8 Cl N5 O5 -","- C4 H8 Cl N5 O5 -","- C16 H32 Cl4 N20 O20 -","4","1","","Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei","Constructing high-performance and insensitive energetic salts through increased hydrogen bonds","CrystEngComm","2025","27","29","4976","4984","10.1039/D5CE00504C","","","0.71073","MoKα","","0.0446","0.0372","","","0.0927","0.1005","","","","","","1.071","","","","has coordinates","301557","2025-08-05","21:31:31",""
"7250586","9.9288","0.0004","6.5054","0.0003","24.75","0.001","90","","90","","90","","1598.62","0.12","223","","223","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C4 H8 N6 O4 -","- C4 H8 N6 O4 -","- C32 H64 N48 O32 -","8","1","","Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei","Constructing high-performance and insensitive energetic salts through increased hydrogen bonds","CrystEngComm","2025","27","29","4976","4984","10.1039/D5CE00504C","","","1.54178","CuKα","","0.0506","0.0444","","","0.1202","0.1246","","","","","","1.087","","","","has coordinates","301557","2025-08-05","21:31:32",""
"7250587","7.3547","0.0002","17.502","0.0004","8.7636","0.0002","90","","109.734","0.001","90","","1061.82","0.05","213","","213","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H8 N8 O7 -","- C5 H8 N8 O7 -","- C20 H32 N32 O28 -","4","1","","Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei","Constructing high-performance and insensitive energetic salts through increased hydrogen bonds","CrystEngComm","2025","27","29","4976","4984","10.1039/D5CE00504C","","","1.54178","CuKα","","0.0327","0.0311","","","0.0833","0.084","","","","","","1.076","","","","has coordinates","301557","2025-08-05","21:31:32",""
"7250588","11.5773","0.0008","6.4537","0.0005","12.635","0.0009","90","","117.101","0.002","90","","840.39","0.11","193","","193","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H11 N5 O3 -","- C6 H11 N5 O3 -","- C24 H44 N20 O12 -","4","1","","Chen, Luyao; Hu, Wei; Lei, Caijin; Tang, Jie; Xiao, Chuan; Cheng, Guangbin; Yang, Hongwei","Constructing high-performance and insensitive energetic salts through increased hydrogen bonds","CrystEngComm","2025","27","29","4976","4984","10.1039/D5CE00504C","","","0.71073","MoKα","","0.0821","0.0565","","","0.1345","0.1657","","","","","","1.039","","","","has coordinates","301557","2025-08-05","21:31:32",""
"7250589","12.937","0.0004","7.8904","0.0002","24.4181","0.0009","90","","104.462","0.004","90","","2413.57","0.14","100","0.1","100","0.1","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C6 H6 Fe N6 Na2 O3 -","- C6 H6 Fe N6 Na2 O3 -","- C48 H48 Fe8 N48 Na16 O24 -","8","1","","Lewis, Sam G.; Coulson, Ben A.; Harris, Kenneth D. M.; Warren, Anna J.; Warren, Mark R.; Hatcher, Lauren E.","Controlled microcrystallization for in situ photocrystallography: optimizing crystal size and habit","CrystEngComm","2025","27","29","4965","4975","10.1039/D5CE00367A","","x-ray","1.54184","CuKα","","0.0325","0.029","","","0.0856","0.0875","","","","","","1.044","","","","has coordinates","301556","2025-08-05","21:31:17",""
"7250598","6.8069","0.0015","18.566","0.005","20.81","0.004","90","","90","","90","","2629.9","1","173","","173","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C128 H120 N8 O32 -","8","0.5","","Mirza, Yafia Kousin; Bera, Partha Sarathi; Nandini, R.; Talukdar, Dhrubajyoti; Mohite, Sachin Balaso; Mane, Manoj V.; Bera, Milan","Unlocking enhanced reactivity of hexafluoroisopropanol: a sustainable atom economical approach to selective cascade di-π-functionalization of allenamides","Green Chemistry","2025","27","29","8972","8979","10.1039/D5GC01273B","","","0.71073","MoKα","","0.0917","0.0668","","","0.1712","0.1867","","","","","","1.181","","","","has coordinates,has disorder","301607","2025-08-05","22:13:17",""
"7250602","18.813","0.006","17.151","0.005","25.366","0.008","90","","104.339","0.013","90","","7930","4","273.15","","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C52 H46 Cd3.99 N2 Na2 O44 -","- C52 H45.9996 Cd4 N2 Na2 O43.9998 -","- C208 H183.998 Cd16 N8 Na8 O175.999 -","4","0.5","","Xu, Ning; Zhou, Yulong; Shen, Yexin; Li, Rui; Zhang, Qinghua; Zhu, Xiandong","Structurally controllable Cd(ii)-based luminescent metal–organic frameworks for efficient detection of antibiotics in water","CrystEngComm","2025","27","30","5204","5212","10.1039/D5CE00250H","","","0.71073","MoKα","","0.0571","0.0517","","","0.16","0.1672","","","","","","1.066","","","","has coordinates,has disorder","301567","2025-08-05","21:34:31",""
"7250603","20.2245","0.001","24.9058","0.001","17.2568","0.0008","90","","90","","90","","8692.4","0.7","100","2","100.15","","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C52 H66 Cd4 N2 O42 -","- C52 H65.9988 Cd4 N2 O41.9994 -","- C208 H263.995 Cd16 N8 O167.998 -","4","0.25","","Xu, Ning; Zhou, Yulong; Shen, Yexin; Li, Rui; Zhang, Qinghua; Zhu, Xiandong","Structurally controllable Cd(ii)-based luminescent metal–organic frameworks for efficient detection of antibiotics in water","CrystEngComm","2025","27","30","5204","5212","10.1039/D5CE00250H","","","0.71073","MoKα","","0.0785","0.0553","","","0.1436","0.1609","","","","","","1.099","","","","has coordinates,has disorder","301567","2025-08-05","21:34:31",""
"7250604","23.8084","0.0004","4.6171","0.0001","11.0799","0.0002","90","","92.314","0.002","90","","1216.97","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C52 H52 N4 O16 -","4","1","","Guan, Yu; Wang, Bin; Ying, Yan-Ling; Li, Ping; Zhang, Zhan-Hui","Copper(i) anchored on a covalent triazine framework/ionic liquid as a recyclable catalytic system for cyclization of propargylic amines with CO2 under ambient conditions","Green Chemistry","2025","27","30","9165","9177","10.1039/D5GC02137E","","x-ray","1.54184","CuKα","","0.0472","0.0429","","","0.12","0.1249","","","","","","1.052","","","","has coordinates","301609","2025-08-05","22:13:39",""
"7250605","4.5534","0.0005","11.8134","0.001","12.2013","0.0009","81.384","0.007","88.616","0.007","81.965","0.008","642.54","0.1","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N16 O10 -","- C18 H22 N16 O10 -","- C18 H22 N16 O10 -","1","0.5","","Zhang, Xing; Pan, Linhu; Li, Min; Jing, Jianquan; Xia, Honglei; Zhang, Qinghua","Constructing insensitive heat-resistant energetic materials via hydrazo bridge mediated resonance-assisted hydrogen bonds","CrystEngComm","2025","27","29","5021","5029","10.1039/D5CE00494B","","","1.54178","CuKα","","0.1354","0.074","","","0.153","0.1774","","","","","","1.054","","","","has coordinates","301554","2025-08-05","21:30:55",""
"7250606","14.5415","0.0014","7.0417","0.0006","19.3451","0.0016","90","","90","","90","","1980.9","0.3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C80 H80 N16 O24 -","8","1","","Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R.","H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures","CrystEngComm","2025","27","30","5162","5172","10.1039/D5CE00492F","","x-ray","0.71073","MoKα","","0.0826","0.0592","","","0.1167","0.1279","","","","","","1.097","","","","has coordinates","301571","2025-08-05","21:35:45",""
"7250607","11.3436","0.0006","8.3777","0.0004","20.5336","0.0011","90","","90","","90","","1951.38","0.17","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H7 F N2 O3 -","- C10 H7 F N2 O3 -","- C80 H56 F8 N16 O24 -","8","1","","Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R.","H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures","CrystEngComm","2025","27","30","5162","5172","10.1039/D5CE00492F","","x-ray","0.71073","MoKα","","0.0645","0.0445","","","0.0891","0.0979","","","","","","1.069","","","","has coordinates","301571","2025-08-05","21:35:47",""
"7250608","14.8617","0.0014","6.9928","0.0008","19.4887","0.0014","90","","90","","90","","2025.4","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H9 F N2 O3 -","- C10 H9 F N2 O3 -","- C80 H72 F8 N16 O24 -","8","1","","Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R.","H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures","CrystEngComm","2025","27","30","5162","5172","10.1039/D5CE00492F","","x-ray","0.71073","MoKα","","0.0852","0.0607","","","0.1205","0.133","","","","","","1.058","","","","has coordinates","301571","2025-08-05","21:35:56",""
"7250609","41.5257","0.0016","12.188","0.0005","7.6472","0.0004","90","","90.053","0.004","90","","3870.4","0.3","288","19","288","19","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 N2 O3 -","- C10 H10 N2 O3 -","- C160 H160 N32 O48 -","16","4","","Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R.","H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures","CrystEngComm","2025","27","30","5162","5172","10.1039/D5CE00492F","","x-ray","1.54184","CuKα","","0.1703","0.1195","","","0.2992","0.3429","","","","","","1.094","","","","has coordinates","301571","2025-08-05","21:35:57",""
"7250610","19.8269","0.0013","5.3804","0.0004","9.1694","0.0007","90","","96.462","0.007","90","","971.95","0.12","296","0.9","296","0.9","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H16 N4 O6 -","- C20 H16 N4 O6 -","- C40 H32 N8 O12 -","2","0.5","","Dumitrascu, Florea; Popa, Marcel Mirel; Shova, Sergiu; Man, Isabela C.; Draghici, Constantin; Caira, Mino R.","H/F replacement in secondary alcohols of sydnones as examples of isostructural OH⋯OC hydrogen bonded dimer structures","CrystEngComm","2025","27","30","5162","5172","10.1039/D5CE00492F","","x-ray","1.54184","CuKα","","0.0942","0.0823","","","0.2312","0.2494","","","","","","1.07","","","","has coordinates","301571","2025-08-05","21:35:58",""
"7250611","10.1022","0.0005","10.2035","0.0004","11.395","0.0006","99.416","0.002","99.647","0.002","119.113","0.001","969.83","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Cd N2 O7 -","- C21 H18 Cd N2 O7 -","- C42 H36 Cd2 N4 O14 -","2","1","","Yuan, Nana; Cao, Jia; Ren, Yixia; Hou, Xiufang; Chen, Sanping","Dual enabling photomediated Knoevenagel condensation and alkene perfluoroalkylation reactions by a photoresponsive cadmium–organic framework","Green Chemistry","2025","27","28","8603","8612","10.1039/D5GC01928A","","","0.71073","MoKα","","0.03","0.0279","","","0.0798","0.0812","","","","","","1.063","","","","has coordinates","301608","2025-08-05","22:13:26",""
"7250614","11.4114","0.0001","16.1748","0.0001","19.6865","0.0002","113.206","0.001","90.648","0.001","94.667","0.001","3324.89","0.06","153","","153","","","","","","","","","6","P -1","-P 1","2","","","","- C73 H48 B Cu F20 N4 -","- C73 H48 B Cu F20 N4 -","- C146 H96 B2 Cu2 F40 N8 -","2","1","","Tomita, Ryunosuke; Jin, Mingoo","Construction of sterically bent π-conjugated arylene by implanting into bulky NHC Cu(i) coordination polymers in crystalline media","CrystEngComm","2025","27","33","5618","5624","10.1039/D5CE00346F","","x-ray","1.54184","CuKα","","0.04","0.0371","","","0.1017","0.1039","","","","","","1.047","","","","has coordinates","302573","2025-10-06","08:26:41",""
"7250615","13.43416","0.00005","19.85881","0.00007","28.77729","0.0001","90","","93.4025","0.0003","90","","7663.86","0.05","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C81 H59 B Cu F24 N4 -","- C81 H59 B Cu F24 N4 -","- C324 H236 B4 Cu4 F96 N16 -","4","1","","Tomita, Ryunosuke; Jin, Mingoo","Construction of sterically bent π-conjugated arylene by implanting into bulky NHC Cu(i) coordination polymers in crystalline media","CrystEngComm","2025","27","33","5618","5624","10.1039/D5CE00346F","","x-ray","1.54184","CuKα","","0.0788","0.0747","","","0.2116","0.2151","","","","","","1.069","","","","has coordinates","302573","2025-10-06","08:26:41",""
"7250616","12.27189","0.00004","15.93292","0.00004","36.59908","0.00011","90","","98.9216","0.0003","90","","7069.53","0.04","153","","153","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C71 H56 B Cu F24 N4 -","- C71 H56 B Cu F24 N4 -","- C284 H224 B4 Cu4 F96 N16 -","4","1","","Tomita, Ryunosuke; Jin, Mingoo","Construction of sterically bent π-conjugated arylene by implanting into bulky NHC Cu(i) coordination polymers in crystalline media","CrystEngComm","2025","27","33","5618","5624","10.1039/D5CE00346F","","x-ray","1.54184","CuKα","","0.0546","0.0541","","","0.1438","0.1442","","","","","","1.05","","","","has coordinates,has disorder","302573","2025-10-06","08:26:41",""
"7250617","8.5444","0.0014","8.9657","0.0016","9.8947","0.0018","65.259","0.005","87.895","0.006","73.816","0.005","658.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H10 N2 O7 Sr -","- C11 H10 N2 O7 Sr -","- C22 H20 N4 O14 Sr2 -","2","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","0.71073","MoKα","","0.0363","0.0274","","","0.0542","0.0569","","","","","","1.063","","","","has coordinates","302569","2025-10-06","08:25:15",""
"7250618","9.899","0.002","7.3502","0.0015","17.549","0.003","90","","90.527","0.007","90","","1276.8","0.4","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O5 Sr -","- C11 H10 N2 O5 Sr -","- C44 H40 N8 O20 Sr4 -","4","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","0.71073","MoKα","","0.0255","0.0202","","","0.0427","0.045","","","","","","1.041","","","","has coordinates","302569","2025-10-06","08:25:19",""
"7250619","8.1199","0.0009","11.4685","0.0012","20.653","0.002","90.29","0.004","97.103","0.004","90.402","0.004","1908.4","0.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C14.5 H11 F6 N3 O5.5 Sr -","- C14.5 H11 F6 N3 O5.5 Sr -","- C58 H44 F24 N12 O22 Sr4 -","4","2","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","0.71073","MoKα","","0.102","0.0494","","","0.0821","0.094","","","","","","0.864","","","","has coordinates,has disorder","302569","2025-10-06","08:25:26",""
"7250620","8.3624","0.0003","10.0318","0.0004","11.0092","0.0004","93.106","0.001","90.183","0.001","100.056","0.001","907.96","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C14 H14 Br2 N4 O6 Sr -","- C14 H14 Br2 N4 O6 Sr -","- C28 H28 Br4 N8 O12 Sr2 -","2","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","0.71073","MoKα","","0.034","0.0248","","","0.0539","0.0575","","","","","","1.059","","","","has coordinates","302569","2025-10-06","08:25:26",""
"7250621","27.3016","0.0004","27.3016","0.0004","13.4005","0.0003","90","","90","","90","","9988.4","0.3","120","2","120","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H15 N5 O6 Sr -","- C14 H15 N5 O6 Sr -","- C224 H240 N80 O96 Sr16 -","16","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","1.54178","CuKα","","0.1232","0.0997","","","0.2693","0.2999","","","","","","1.153","","","","has coordinates,has disorder","302569","2025-10-06","08:25:26",""
"7250622","22.2525","0.0002","22.2525","0.0002","13.4124","0.0002","90","","90","","90","","6641.47","0.13","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C14 H16 N4 O6 Sr -","- C14 H16 N4 O6 Sr -","- C224 H256 N64 O96 Sr16 -","16","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","x-ray","0.67163","synchrotron","","0.0633","0.0538","","","0.1076","0.1123","","","","","","1.159","","","","has coordinates","302569","2025-10-06","08:25:26",""
"7250623","30.943","0.004","5.8323","0.0009","17.507","0.002","90","","90.591","0.005","90","","3159.3","0.7","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N4 O6 S Sr -","- C12 H14 N4 O6 S Sr -","- C96 H112 N32 O48 S8 Sr8 -","8","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","0.71073","MoKα","","0.0789","0.043","","","0.0822","0.0968","","","","","","1.014","","","","has coordinates","302569","2025-10-06","08:25:27",""
"7250624","10.7902","0.0003","17.9102","0.0004","14.8163","0.0004","90","","106.409","0.001","90","","2746.69","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N6 O13 Sr2 -","- C21 H22 N6 O13 Sr2 -","- C84 H88 N24 O52 Sr8 -","4","1","","Teixeira, Michaël; Baudron, Stéphane A.","Impact of ligand functionalization on the structure of strontium MOFs prepared in a deep eutectic solvent","CrystEngComm","2025","27","32","5421","5430","10.1039/D5CE00497G","","","0.71073","MoKα","","0.0652","0.0357","","","0.0585","0.0681","","","","","","1.046","","","","has coordinates","302569","2025-10-06","08:25:27",""
"7250625","9.9888","0.0005","11.4316","0.0005","12.6577","0.0007","104.81","0.002","94.908","0.002","102.704","0.002","1347.64","0.12","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19.5 H13.5 Cu F4.5 N6 O4 S -","- C19.5 H13.5 Cu F4.5 N6 O4 S -","- C39 H27 Cu2 F9 N12 O8 S2 -","2","1","","Bresciani, Giulio; Guelfi, Massimo; Dosa, Melodj; Guiotto, Virginia; Crocellà, Valentina; Lessi, Marco; Taddei, Marco","Synthesis and structural characterisation of CuII-based MOFs constructed by combining functionalised 1,4-bis(1H-imidazol-1-Yl)benzene ligands with copper sulfate","CrystEngComm","2025","27","24","4071","4080","10.1039/D5CE00247H","","","0.71073","MoKα","","0.0913","0.0763","","","0.2162","0.2297","","","","","","1.072","","","","has coordinates,has disorder","300336","2025-07-04","18:58:15",""
"7250626","11.1084","0.0012","12.6501","0.0013","13.3862","0.0013","70.221","0.004","86.43","0.004","85.507","0.004","1763.4","0.3","300","2","300","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cu N8 O4 S -","- C26 H24 Cu N8 O4 S -","- C52 H48 Cu2 N16 O8 S2 -","2","1","","Bresciani, Giulio; Guelfi, Massimo; Dosa, Melodj; Guiotto, Virginia; Crocellà, Valentina; Lessi, Marco; Taddei, Marco","Synthesis and structural characterisation of CuII-based MOFs constructed by combining functionalised 1,4-bis(1H-imidazol-1-Yl)benzene ligands with copper sulfate","CrystEngComm","2025","27","24","4071","4080","10.1039/D5CE00247H","","","0.71073","MoKα","","0.0605","0.043","","","0.1111","0.1194","","","","","","1.036","","","","has coordinates","300336","2025-07-04","18:58:17",""
"7250627","11.078","0.0005","12.6235","0.0006","13.3342","0.0005","70.642","0.002","86.43","0.002","85.269","0.002","1752.07","0.13","300","2","300","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H18 Cl2 Cu N8 O4 S -","- C24 H18 Cl2 Cu N8 O4 S -","- C48 H36 Cl4 Cu2 N16 O8 S2 -","2","1","","Bresciani, Giulio; Guelfi, Massimo; Dosa, Melodj; Guiotto, Virginia; Crocellà, Valentina; Lessi, Marco; Taddei, Marco","Synthesis and structural characterisation of CuII-based MOFs constructed by combining functionalised 1,4-bis(1H-imidazol-1-Yl)benzene ligands with copper sulfate","CrystEngComm","2025","27","24","4071","4080","10.1039/D5CE00247H","","","0.71073","MoKα","","0.0765","0.0545","","","0.1539","0.1693","","","","","","1.049","","","","has coordinates","300336","2025-07-04","18:58:17",""
"7250628","12.3984","0.0005","12.6201","0.0006","14.299","0.0006","69.269","0.002","64.997","0.002","64.189","0.002","1785.35","0.14","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cu N8 O6 S -","- C26 H24 Cu N8 O6 S -","- C52 H48 Cu2 N16 O12 S2 -","2","1","","Bresciani, Giulio; Guelfi, Massimo; Dosa, Melodj; Guiotto, Virginia; Crocellà, Valentina; Lessi, Marco; Taddei, Marco","Synthesis and structural characterisation of CuII-based MOFs constructed by combining functionalised 1,4-bis(1H-imidazol-1-Yl)benzene ligands with copper sulfate","CrystEngComm","2025","27","24","4071","4080","10.1039/D5CE00247H","","","0.71073","MoKα","","0.0835","0.0671","","","0.191","0.2078","","","","","","1.041","","","","has coordinates,has disorder","300336","2025-07-04","18:58:17",""
"7250629","9.1139","0.0006","10.7892","0.0008","14.2581","0.001","101.387","0.004","94.491","0.004","97.68","0.004","1354.17","0.17","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H29 N3 S -","- C34 H29 N3 S -","- C68 H58 N6 S2 -","2","1","","Afrin, A.; P, Chinna Ayya Swamy","Structural modulations: unraveling the impact of benzothiazole positions on the optical properties of carbazole–cyanostilbenes","CrystEngComm","2025","27","22","3664","3674","10.1039/D5CE00132C","","","0.71073","MoKα","","0.1792","0.0705","","","0.1671","0.2179","","","","","","1.03","","","","has coordinates","300337","2025-07-04","18:59:49",""
"7250630","10.192","0.003","13.023","0.004","13.452","0.004","94.774","0.008","105.146","0.008","94.739","0.007","1707.3","0.9","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","Vandetanib Ibuprofen","4-(((4-((4-bromo-2-fluorophenyl)amino)-6-methoxyquinazolin-7-yl)oxy)methyl)-1-methylpiperidin-1-ium 2-(4-isobutylphenyl)propanoate","","- C35 H42 Br F N4 O4 -","- C35 H42 Br F N4 O4 -","- C70 H84 Br2 F2 N8 O8 -","2","1","","Abishek, K. G.; Kenguva, Gowtham; Giri, Lopamudra; Venkat Shivaji Ramarao, E. V.; Dhilli Rao, Gorja; Dandela, Rambabu","A current insight into the drug–drug molecular adducts of an anti-cancer drug vandetanib with various NSAIDs","CrystEngComm","2025","27","19","2998","3005","10.1039/D5CE00070J","","","0.71073","MoKα","","0.1242","0.0728","","","0.1808","0.2135","","","","","","1.026","","","","has coordinates","300338","2025-07-04","19:02:55",""
"7250631","12.7596","0.001","12.7738","0.001","13.177","0.0011","110.597","0.002","90.033","0.002","118.704","0.002","1725.4","0.2","298.15","","298.15","","","","","","","","","6","P -1","-P 1","2","Vandetanib Mefenamic acid","4-(((4-((4-bromo-2-fluorophenyl)amino)-6-methoxyquinazolin-7-yl)oxy)methyl)-1-methylpiperidin-1-ium 2-((2,3-dimethylphenyl)amino)benzoate","","- C37 H39 Br F N5 O4 -","- C37 H39 Br F N5 O4 -","- C74 H78 Br2 F2 N10 O8 -","2","1","","Abishek, K. G.; Kenguva, Gowtham; Giri, Lopamudra; Venkat Shivaji Ramarao, E. V.; Dhilli Rao, Gorja; Dandela, Rambabu","A current insight into the drug–drug molecular adducts of an anti-cancer drug vandetanib with various NSAIDs","CrystEngComm","2025","27","19","2998","3005","10.1039/D5CE00070J","","","0.71073","MoKα","","0.1093","0.0643","","","0.1377","0.1606","","","","","","1.009","","","","has coordinates","300338","2025-07-04","19:02:58",""
"7250632","15.0312","0.0006","9.3081","0.0004","19.6029","0.0008","90","","101.075","0.004","90","","2691.6","0.2","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl2 Cu N6 O11 -","- C21 H24 Cl2 Cu N6 O11 -","- C84 H96 Cl8 Cu4 N24 O44 -","4","1","","Zhao, Bin-shan; Zhang, Chao; Lu, Zu-jia; Dong, Wen-shuai; Xu, Mei-qi; Li, Cong; Yu, Qi-yao; Zhang, Jian-guo","Comparative study of two copper perchlorate hydrazide complexes: impact of coordination chemistry on laser sensitivity and energetic properties","CrystEngComm","2025","27","19","3032","3040","10.1039/D5CE00148J","","x-ray","0.71073","MoKα","","0.1064","0.0697","","","0.1688","0.2031","","","","","","1.05","","","","has coordinates","300339","2025-07-04","19:03:19",""
"7250633","9.9076","0.0008","7.1785","0.0005","14.717","0.002","90","","108.113","0.012","90","","994.83","0.18","119.75","0.1","119.75","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 Cl2 Cu N4 O10 -","- C14 H16 Cl2 Cu N4 O10 -","- C28 H32 Cl4 Cu2 N8 O20 -","2","0.5","","Zhao, Bin-shan; Zhang, Chao; Lu, Zu-jia; Dong, Wen-shuai; Xu, Mei-qi; Li, Cong; Yu, Qi-yao; Zhang, Jian-guo","Comparative study of two copper perchlorate hydrazide complexes: impact of coordination chemistry on laser sensitivity and energetic properties","CrystEngComm","2025","27","19","3032","3040","10.1039/D5CE00148J","","x-ray","0.71073","MoKα","","0.049","0.0392","","","0.0766","0.084","","","","","","1.06","","","","has coordinates","300339","2025-07-04","19:03:20",""
"7250634","7.553","0.0007","9.3446","0.0006","9.6219","0.0007","86.478","0.006","66.993","0.008","71.718","0.007","592.09","0.09","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C3 H5 Br4 N2 S Sb -","- C3 H5 Br4 N2 S Sb -","- C6 H10 Br8 N4 S2 Sb2 -","2","1","","Chong, Qingdian; He, Lei; Yang, Yawen; Ye, Qiong","Ferroelasticity induced by metal substitution in one-dimensional hybrid perovskites","CrystEngComm","2025","27","20","3320","3325","10.1039/D5CE00239G","","","0.71073","MoKα","","0.0703","0.0507","","","0.1119","0.1195","","","","","","1.003","","","","has coordinates","300340","2025-07-04","19:07:32",""
"7250635","13.5885","0.0009","13.4694","0.001","7.5873","0.0005","90","","120.686","0.006","90","","1194.25","0.16","387.9","0.3","387.9","0.3","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H5 Br4 N2 S Sb -","- C3 H5 Br4 N2 S Sb -","- C12 H20 Br16 N8 S4 Sb4 -","4","0.5","","Chong, Qingdian; He, Lei; Yang, Yawen; Ye, Qiong","Ferroelasticity induced by metal substitution in one-dimensional hybrid perovskites","CrystEngComm","2025","27","20","3320","3325","10.1039/D5CE00239G","","x-ray","0.71073","MoKα","","0.0593","0.0361","","","0.0958","0.1047","","","","","","1.008","","","","has coordinates,has disorder","300340","2025-07-04","19:07:32",""
"7250636","13.4541","0.0004","13.6664","0.0004","7.5122","0.0002","90","","118.77","0.002","90","","1210.76","0.06","393.02","0.1","393.02","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C3 H5 Bi Br4 N2 S -","- C3 H5 Bi Br4 N2 S -","- C12 H20 Bi4 Br16 N8 S4 -","4","0.5","","Chong, Qingdian; He, Lei; Yang, Yawen; Ye, Qiong","Ferroelasticity induced by metal substitution in one-dimensional hybrid perovskites","CrystEngComm","2025","27","20","3320","3325","10.1039/D5CE00239G","","x-ray","1.54178","CuKα","","0.08","0.0756","","","0.2079","0.2158","","","","","","1.119","","","","has coordinates,has disorder","300340","2025-07-04","19:07:33",""
"7250637","8.9986","0.0007","17.8803","0.0011","7.3616","0.0007","90","","95.761","0.008","90","","1178.48","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H5 Bi Br4 N2 S -","- C3 H5 Bi Br4 N2 S -","- C12 H20 Bi4 Br16 N8 S4 -","4","1","","Chong, Qingdian; He, Lei; Yang, Yawen; Ye, Qiong","Ferroelasticity induced by metal substitution in one-dimensional hybrid perovskites","CrystEngComm","2025","27","20","3320","3325","10.1039/D5CE00239G","","","0.71073","MoKα","","0.0709","0.0556","","","0.1323","0.138","","","","","","1.044","","","","has coordinates","300340","2025-07-04","19:07:33",""
"7250638","12.6355","0.0006","14.5471","0.0007","15.0531","0.0007","61.623","0.002","70.727","0.002","67.089","0.002","2206.18","0.19","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H63.5 Cl1.5 N5 O4 -","- C46 H63.5 Cl1.5 N5 O4 -","- C92 H127 Cl3 N10 O8 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","x-ray","1.34139","Synchrotron","GaKα","0.0637","0.0536","","","0.1449","0.1526","","","","","","1.057","","","","has coordinates,has disorder","300341","2025-07-04","19:09:45",""
"7250639","13.5541","0.001","25.3522","0.0019","15.2379","0.0011","90","","104.797","0.003","90","","5062.5","0.6","200","2","200","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C47 H59 N6 O4 -","- C47 H59 N6 O4 -","- C188 H236 N24 O16 -","4","0.5","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.0539","0.0468","","","0.1474","0.1516","","","","","","1.095","","","","has coordinates,has disorder","300341","2025-07-04","19:09:48",""
"7250640","12.8152","0.0005","14.8332","0.0006","14.9878","0.0006","96.264","0.001","111.759","0.001","113.286","0.001","2318.8","0.16","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H60 N5 O5 -","- C47 H60 N5 O5 -","- C94 H120 N10 O10 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.074","0.0592","","","0.1792","0.1943","","","","","","1.06","","","","has coordinates","300341","2025-07-04","19:09:50",""
"7250641","15.1531","0.0009","17.6198","0.0011","19.7365","0.0012","102.794","0.002","90.793","0.002","113.6","0.002","4677.8","0.5","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H134 Cl4 N10 O12 -","- C92 H134 Cl4 N10 O12 -","- C184 H268 Cl8 N20 O24 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34138","GaKα","","0.076","0.0727","","","0.1909","0.1933","","","","","","1.035","","","","has coordinates,has disorder","300341","2025-07-04","19:09:50",""
"7250642","12.1297","0.0006","14.6354","0.0007","15.2121","0.0007","104.844","0.001","113.237","0.001","90.513","0.002","2380.1","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C49 H69 N5 O6 -","- C49 H69 N5 O6 -","- C98 H138 N10 O12 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.0562","0.0515","","","0.1409","0.1458","","","","","","1.045","","","","has coordinates,has disorder","300341","2025-07-04","19:09:51",""
"7250643","12.1319","0.0006","14.3099","0.0007","15.1788","0.0007","102.738","0.001","110.436","0.001","93.011","0.002","2384.2","0.2","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H62 N5 O5 -","- C48 H62 N5 O5 -","- C96 H124 N10 O10 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.0741","0.0632","","","0.1992","0.2143","","","","","","1.072","","","","has coordinates,has disorder","300341","2025-07-04","19:09:51",""
"7250644","12.1303","0.0006","14.6397","0.0006","15.2164","0.0006","104.299","0.001","111.887","0.001","92.417","0.002","2402.51","0.18","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H62 N5 O6 -","- C48 H62 N5 O6 -","- C96 H124 N10 O12 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.0599","0.0547","","","0.172","0.1795","","","","","","1.04","","","","has coordinates,has disorder","300341","2025-07-04","19:09:51",""
"7250645","15.361","0.002","17.925","0.003","19.975","0.003","103.894","0.005","91.039","0.005","114.731","0.005","4805.4","1.3","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H118 Cl8 N10 O10 -","- C94 H118 Cl8 N10 O10 -","- C188 H236 Cl16 N20 O20 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.0873","0.0652","","","0.1855","0.1977","","","","","","1.082","","","","has coordinates,has disorder","300341","2025-07-04","19:09:51",""
"7250646","14.8218","0.0017","15.0041","0.0018","24.178","0.003","99.601","0.006","94.15","0.005","118.184","0.005","4601.8","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C98 H131 N10 O10 -","- C98 H131 N10 O10 -","- C196 H262 N20 O20 -","2","1","","Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan","A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives","CrystEngComm","2025","27","15","2287","2291","10.1039/D5CE00115C","","","1.34139","GaKα","","0.1634","0.1456","","","0.349","0.3616","","","","","","1.07","","","","has coordinates,has disorder","300341","2025-07-04","19:09:51",""
"7250647","8.3995","0.0004","10.924","0.0005","38.1055","0.0019","90","","96.154","0.001","90","","3476.3","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl Hg N2 S16 Se2 -","- C22 H16 Cl Hg N2 S16 Se2 -","- C88 H64 Cl4 Hg4 N8 S64 Se8 -","4","1","","Henderson, A.; Razpopov, A.; Biswas, S.; Valentí, R.; Cui, H.; Kato, R.; Wei, K.; van Tol, J.; Siegrist, T.; Schlueter, J. A.","One-dimensional antiferromagnetic chain in the cation radical salt α-(BEDT-TTF)2Hg(SeCN)2Cl","CrystEngComm","2025","27","18","2805","2809","10.1039/D5CE00007F","","x-ray","0.41328","synchrotron","","0.0451","0.0346","","","0.079","0.0812","","","","","","0.921","","","","has coordinates","300342","2025-07-04","19:10:47",""
"7250648","10.064","0.002","14.486","0.002","20.686","0.006","90","","90","","90","","3015.8","1.1","303","","303","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C5 H18 B3 F12 N3 -","- C5 H18 B3 F12 N3 -","- C40 H144 B24 F96 N24 -","8","1","","Zhang, Feng-Wen; Xie, Yu-Lan; Liu, Pei-Guo; Li, Meng-Qiang; Yang, Yi-Xuan; Ni, Hao-Fei; Teri, Gele; Zhu, Ming; Wang, Chang-Feng; Zhang, Yi; Fu, Da-Wei","Three-dimensional metal-free perovskite with switchable dielectric behaviors","CrystEngComm","2025","27","18","2810","2814","10.1039/D5CE00294J","","","1.54184","CuKα","","0.1496","0.1035","","","0.218","0.2488","","","","","","1.022","","","","has coordinates,has disorder","300343","2025-07-04","19:11:49",""
"7250649","10.449","0.003","10.169","0.003","14.541","0.006","90","","90","","90","","1545.1","0.9","393.15","","393.15","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C5 B3 F12 N3 -","- C5 B3 F12 N3 -","- C20 B12 F48 N12 -","4","0.25","","Zhang, Feng-Wen; Xie, Yu-Lan; Liu, Pei-Guo; Li, Meng-Qiang; Yang, Yi-Xuan; Ni, Hao-Fei; Teri, Gele; Zhu, Ming; Wang, Chang-Feng; Zhang, Yi; Fu, Da-Wei","Three-dimensional metal-free perovskite with switchable dielectric behaviors","CrystEngComm","2025","27","18","2810","2814","10.1039/D5CE00294J","","","1.54184","CuKα","","0.1953","0.1458","","","0.3044","0.3346","","","","","","1.007","","","","has coordinates,has disorder","300343","2025-07-04","19:11:50",""
"7250650","9.0492","0.0003","9.5052","0.0004","9.9724","0.0003","62.525","0.004","75.236","0.003","80.607","0.003","734.86","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H16 N4 -","- C18 H16 N4 -","- C36 H32 N8 -","2","1","","Chaudhary, Simran; Wiśniewski, Marek; Hoser, Anna; Maria Losus, Renny; Rafiński, Zbigniew; Dobrzańska, Liliana","Reversible phase transformations upon water uptake/removal in crystalline material of a bipodal N-donor ligand and evaluation of the stability of the hydrates formed","CrystEngComm","2025","27","23","3891","3898","10.1039/D5CE00130G","","","1.54184","CuKα","","0.0444","0.0391","","","0.1008","0.1042","","","","","","1.056","","","","has coordinates","300344","2025-07-04","19:13:06",""
"7250651","18.149","0.004","9.6466","0.0019","9.3799","0.0019","90","","93.06","0.03","90","","1639.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N4 O2 -","- C18 H20 N4 O2 -","- C72 H80 N16 O8 -","4","1","","Chaudhary, Simran; Wiśniewski, Marek; Hoser, Anna; Maria Losus, Renny; Rafiński, Zbigniew; Dobrzańska, Liliana","Reversible phase transformations upon water uptake/removal in crystalline material of a bipodal N-donor ligand and evaluation of the stability of the hydrates formed","CrystEngComm","2025","27","23","3891","3898","10.1039/D5CE00130G","","","0.71073","MoKα","","0.088","0.0581","","","0.1178","0.1299","","","","","","1.056","","","","has coordinates","300344","2025-07-04","19:13:08",""
"7250652","20.541","0.0004","5.4683","0.0001","26.6872","0.0005","90","","102.478","0.002","90","","2926.82","0.1","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 N4 O0.5 -","- C18 H17 N4 O0.5 -","- C144 H136 N32 O4 -","8","1","","Chaudhary, Simran; Wiśniewski, Marek; Hoser, Anna; Maria Losus, Renny; Rafiński, Zbigniew; Dobrzańska, Liliana","Reversible phase transformations upon water uptake/removal in crystalline material of a bipodal N-donor ligand and evaluation of the stability of the hydrates formed","CrystEngComm","2025","27","23","3891","3898","10.1039/D5CE00130G","","","1.54184","CuKα","","0.0422","0.0371","","","0.0936","0.0973","","","","","","1.046","","","","has coordinates","300344","2025-07-04","19:13:08",""
"7250653","9.7262","0.0001","10.1281","0.0001","31.3817","0.0005","90","","90","","90","","3091.35","0.07","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H18 N4 O -","- C18 H18 N4 O -","- C144 H144 N32 O8 -","8","1","","Chaudhary, Simran; Wiśniewski, Marek; Hoser, Anna; Maria Losus, Renny; Rafiński, Zbigniew; Dobrzańska, Liliana","Reversible phase transformations upon water uptake/removal in crystalline material of a bipodal N-donor ligand and evaluation of the stability of the hydrates formed","CrystEngComm","2025","27","23","3891","3898","10.1039/D5CE00130G","","","1.54184","CuKα","","0.0428","0.0383","","","0.103","0.1061","","","","","","1.039","","","","has coordinates","300344","2025-07-04","19:13:08",""
"7250654","13.814","0.004","18.929","0.005","19.532","0.005","67.633","0.01","81.377","0.011","86.179","0.01","4669","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C164 H186 Bi2 Co4 O20 S16 -","- C164 H186 Bi2 Co4 O20 S16 -","- C164 H186 Bi2 Co4 O20 S16 -","1","0.5","","Chen, Tianxia; Zou, Yuhan; Mao, Dongao; Bi, Yanfeng","Bismuth-based heterometallic clusters capped by thiacalixarene for visible-light photothermal conversion","CrystEngComm","2025","27","21","3528","3536","10.1039/D5CE00325C","","","0.71073","MoKα","","0.044","0.0369","","","0.1027","0.1065","","","","","","1.031","","","","has coordinates","300345","2025-07-04","19:13:35",""
"7250655","13.8454","0.001","19.0729","0.0013","19.6074","0.0014","67.17","0.003","80.576","0.003","85.808","0.003","4707.5","0.6","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C164 H186 Bi2 Ni4 O20 S16 -","- C164 H186 Bi2 Ni4 O20 S16 -","- C164 H186 Bi2 Ni4 O20 S16 -","1","0.5","","Chen, Tianxia; Zou, Yuhan; Mao, Dongao; Bi, Yanfeng","Bismuth-based heterometallic clusters capped by thiacalixarene for visible-light photothermal conversion","CrystEngComm","2025","27","21","3528","3536","10.1039/D5CE00325C","","","0.71073","MoKα","","0.0776","0.0577","","","0.155","0.1682","","","","","","1.035","","","","has coordinates","300345","2025-07-04","19:13:36",""
"7250656","5.4271","0.0003","6.512","0.0004","16.5542","0.001","99.824","0.002","94.165","0.002","99.031","0.002","566.34","0.06","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 Cl4 I2 O4 -","- C20 H12 Cl4 I2 O4 -","- C20 H12 Cl4 I2 O4 -","1","0.5","","Feld, Emmett H.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Hierarchy and cooperativity between π-type halogen bonds and aromatic carboxylic acid dimers in co-crystal formation","CrystEngComm","2025","27","30","5100","5103","10.1039/D5CE00551E","","","0.71073","MoKα","","0.0255","0.0212","","","0.0462","0.0482","","","","","","1.074","","","","has coordinates","301572","2025-08-05","21:36:04",""
"7250657","5.3023","0.0002","6.6859","0.0003","18.7003","0.0009","87.26","0.002","82.172","0.001","82.178","0.002","650.36","0.05","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cl4 I2 O4 -","- C24 H16 Cl4 I2 O4 -","- C24 H16 Cl4 I2 O4 -","1","0.5","","Feld, Emmett H.; Bosch, Eric; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan H.","Hierarchy and cooperativity between π-type halogen bonds and aromatic carboxylic acid dimers in co-crystal formation","CrystEngComm","2025","27","30","5100","5103","10.1039/D5CE00551E","","","0.71073","MoKα","","0.0258","0.0222","","","0.0501","0.0523","","","","","","1.05","","","","has coordinates,has disorder","301572","2025-08-05","21:36:04",""
"7250664","9.7752","0.001","11.4458","0.0012","24.731","0.003","94.352","0.003","93.154","0.003","108.044","0.003","2614.3","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57.8 H52.8 Br2 Cl2.39 N4 O11 -","- C57.795 H52.795 Br2 Cl2.385 N4 O11 -","- C115.59 H105.59 Br4 Cl4.77 N8 O22 -","2","1","","Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange","CrystEngComm","2025","27","29","5003","5009","10.1039/D5CE00462D","","","1.54178","CuKα","","0.0357","0.0343","","","0.0885","0.0907","","","","","","1.025","","","","has coordinates,has disorder","301558","2025-08-05","21:31:52",""
"7250665","16.4443","0.0005","16.6197","0.0005","17.6078","0.0006","113.668","0.002","105.994","0.002","92.943","0.002","4164.5","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H50 N4 O9 -","- C48 H50 N4 O9 -","- C192 H200 N16 O36 -","4","2","","Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange","CrystEngComm","2025","27","29","5003","5009","10.1039/D5CE00462D","","","1.54178","CuKα","","0.1505","0.0918","","","0.2143","0.2668","","","","","","1.053","","","","has coordinates","301558","2025-08-05","21:31:52",""
"7250666","9.667","0.0008","22.9197","0.0019","15.4712","0.0013","90","","98.877","0.003","90","","3386.8","0.5","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C59 H51 Br2 Cl15 N4 O10 -","- C59 H51 Br2 Cl15 N4 O10 -","- C118 H102 Br4 Cl30 N8 O20 -","2","0.5","","Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange","CrystEngComm","2025","27","29","5003","5009","10.1039/D5CE00462D","","","1.54178","CuKα","","0.0622","0.0573","","","0.1451","0.1494","","","","","","1.056","","","","has coordinates,has disorder","301558","2025-08-05","21:31:52",""
"7250667","9.7166","0.0006","11.3692","0.0007","24.7966","0.0016","94.639","0.002","92.734","0.002","107.934","0.002","2590","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H58 Br2 N4 O12 -","- C60 H58 Br2 N4 O12 -","- C120 H116 Br4 N8 O24 -","2","1","","Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange","CrystEngComm","2025","27","29","5003","5009","10.1039/D5CE00462D","","","1.54178","CuKα","","0.0261","0.0256","","","0.068","0.0683","","","","","","1.065","","","","has coordinates","301558","2025-08-05","21:31:52",""
"7250668","9.59","0.002","15.202","0.004","18.069","0.003","107.935","0.014","95.42","0.014","92.865","0.017","2486.3","1","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C103.5 H93.75 Br2 Cl9.75 N8 O16.75 -","- C103.5 H93.75 Br2 Cl9.75 N8 O16.75 -","- C103.5 H93.75 Br2 Cl9.75 N8 O16.75 -","1","0.5","","Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange","CrystEngComm","2025","27","29","5003","5009","10.1039/D5CE00462D","","","1.54178","CuKα","","0.0563","0.0529","","","0.1358","0.1394","","","","","","1.117","","","","has coordinates,has disorder","301558","2025-08-05","21:31:52",""
"7250669","9.3975","0.0006","23.0975","0.0014","27.7307","0.0017","90","","97.683","0.003","90","","5965.2","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 Cl12 N4 O10 -","- C58 H52 Cl12 N4 O10 -","- C232 H208 Cl48 N16 O40 -","4","1","","Tominaga, Masahide; Kamada, Ryusei; Hyodo, Tadashi; Yamaguchi, Kentaro","Co-crystals built from macrocycles with pyromellitic diimides and naphthalene derivatives: transformation of a binary co-crystal solvate to a solvate through solvent exchange","CrystEngComm","2025","27","29","5003","5009","10.1039/D5CE00462D","","","1.54178","CuKα","","0.1061","0.0909","","","0.272","0.2905","","","","","","1.037","","","","has coordinates,has disorder","301558","2025-08-05","21:31:52",""
"7250670","9.7937","0.0007","14.0371","0.0009","15.0676","0.0009","95.549","0.002","101.064","0.002","109.809","0.002","1883.1","0.2","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","1D Zn-Mof","","- C30 H33 N12 O15 Zn2 -","- C30 H33 N12 O15 Zn2 -","- C60 H66 N24 O30 Zn4 -","2","1","","Chaudhary, Palak; Thakur, Sahil; Singh, Raghubir; Kaur, Varinder","Cu- and Zn-based 1D MOFs as hosts to encapsulate Eu(iii) for tuning white light emission","CrystEngComm","2025","27","35","5819","5829","10.1039/D5CE00448A","","","0.71073","MoKα","","0.0745","0.0656","","","0.1949","0.2019","","","","","","1.07","","","","has coordinates","302586","2025-10-06","08:32:57",""
"7250671","9.848","0.0005","6.9721","0.0003","26.2496","0.0013","90","","95.371","0.001","90","","1794.42","0.15","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Cu N6 O7 -","- C15 H15 Cu N6 O7 -","- C60 H60 Cu4 N24 O28 -","4","1","","Chaudhary, Palak; Thakur, Sahil; Singh, Raghubir; Kaur, Varinder","Cu- and Zn-based 1D MOFs as hosts to encapsulate Eu(iii) for tuning white light emission","CrystEngComm","2025","27","35","5819","5829","10.1039/D5CE00448A","","","0.71073","MoKα","","0.0863","0.0848","","","0.2298","0.2307","","","","","","1.104","","","","has coordinates","302586","2025-10-06","08:32:57",""
"7250672","24.8816","0.00003","24.8816","","24.8816","","90","","90","","90","","15404","0.019","","","293","","","","100","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al0.6 K0.593 O4.04 Si1.4 -","- Al0.6 K0.59255 O4.04033 Si1.4 -","- Al57.6 K56.8848 O387.872 Si134.4 -","96","0.5","","Chaib Draa, Yacine Malik; Örs, Taylan; Deroche, Irena; Dejoie, Catherine; Paillaud, Jean-Louis","3D ED for the localization of cations in potassium exchanged and partially dehydrated nano Y zeolite","CrystEngComm","2025","27","30","5095","5099","10.1039/D5CE00520E","powder diffraction","x-ray","0.35442","","","","","","","0.04029","","0.06627","","4.074","","","","","","","has coordinates","301569","2025-08-05","21:35:09",""
"7250673","13.6085","0.0004","13.6085","0.0004","12.7623","0.0005","90","","90","","120","","2046.82","0.12","153","2","153","","","","","","","","","4","P 63/m","-P 6c","176","Eisen-MOF mit Fumarsaeure","","","- C12 H12 Fe3 O16 -","- C12 H12 Fe3 O16 -","- C24 H24 Fe6 O32 -","2","0.166667","","Schumann, Erik; Störr, Bianca; Böhme, Uwe; Walter, Dominic; Mertens, Florian","A method for controlled growth of large MIL-88A crystals","CrystEngComm","2025","27","32","5404","5412","10.1039/D5CE00498E","","x-ray","0.71073","MoKα","","0.0737","0.0683","","","0.219","0.2242","","","","","","1.064","","","","has coordinates","302567","2025-10-06","08:24:32",""
"7250682","8.7794","0.0003","10.2396","0.0004","20.7518","0.0008","90","","90","","90","","1865.54","0.12","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H28 N6 O7 -","- C12 H28 N6 O7 -","- C48 H112 N24 O28 -","4","1","","Chen, Lei; Shen, Zhili; Kong, Deren; Zhang, Chong; Hu, Bingcheng; Gao, Chao","Improving the anti-hygroscopicity and safety of hydroxylamine pentazolate salt (NH3OH+N5−) by cocrystallization","CrystEngComm","2025","27","31","5312","5318","10.1039/D5CE00437C","","","1.54178","CuKα","","0.0509","0.0398","","","0.1038","0.1109","","","","","","1.043","","","","has coordinates","302575","2025-10-06","08:27:38",""
"7250683","3.7631","0.0002","14.7655","0.0007","7.6847","0.0004","90","","96.582","0.002","90","","424.18","0.04","193","","193","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- H4 N6 O -","- H4 N6 O -","- H16 N24 O4 -","4","1","","Chen, Lei; Shen, Zhili; Kong, Deren; Zhang, Chong; Hu, Bingcheng; Gao, Chao","Improving the anti-hygroscopicity and safety of hydroxylamine pentazolate salt (NH3OH+N5−) by cocrystallization","CrystEngComm","2025","27","31","5312","5318","10.1039/D5CE00437C","","","0.71073","MoKα","","0.0355","0.0293","","","0.0781","0.0813","","","","","","1.077","","","","has coordinates","302575","2025-10-06","08:27:39",""
"7250684","8.9073","0.0006","16.8666","0.0011","20.2753","0.0013","67.857","0.006","87.035","0.006","77.872","0.006","2757.2","0.3","117.95","0.1","117.95","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C3 H2 I N3 O2 -","- C3 H2 I N3 O2 -","- C54 H36 I18 N54 O36 -","18","9","","Li, Cong; Lu, Zu-jia; Zhang, Chao; Xu, Mei-qi; Zhao, Bin-shan; Yu, Qi-yao; Zhang, Jian-guo","Noncovalent synergistic-directed crystallization (NSDC): a halogen engineering strategy for multifunctional energetic crystals","CrystEngComm","2025","27","31","5346","5355","10.1039/D5CE00606F","","x-ray","0.71073","MoKα","","0.1125","0.0632","","","0.0943","0.1249","","","","","","1.037","","","","has coordinates","302576","2025-10-06","08:27:48",""
"7250685","6.84","0.0003","18.3788","0.0008","7.3602","0.0004","90","","99.49","0.004","90","","912.6","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 F2 N4 O2 -","- C8 H6 F2 N4 O2 -","- C32 H24 F8 N16 O8 -","4","1","","Li, Cong; Lu, Zu-jia; Zhang, Chao; Xu, Mei-qi; Zhao, Bin-shan; Yu, Qi-yao; Zhang, Jian-guo","Noncovalent synergistic-directed crystallization (NSDC): a halogen engineering strategy for multifunctional energetic crystals","CrystEngComm","2025","27","31","5346","5355","10.1039/D5CE00606F","","x-ray","1.54184","CuKα","","0.0386","0.0351","","","0.0941","0.0964","","","","","","1.024","","","","has coordinates","302576","2025-10-06","08:27:48",""
"7250686","8.4393","0.0004","9.9752","0.0006","16.3986","0.0008","90","","90","","90","","1380.49","0.13","296","2","296","","","","","","","","","5","P n 21 a","P -2ac -2n","33","","","","- C14 H11 N O5 U -","- C14 H11 N O5 U -","- C56 H44 N4 O20 U4 -","4","1","","Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei","Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups","CrystEngComm","2025","27","33","5603","5612","10.1039/D5CE00556F","","","0.71073","MoKα","","0.021","0.0186","","","0.0413","0.0422","","","","","","1.09","","","","has coordinates","302572","2025-10-06","08:26:17",""
"7250687","10.7194","0.0006","13.6309","0.0008","14.1063","0.0006","66.313","0.002","70.931","0.002","80.904","0.002","1783.07","0.17","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C72 H54 N4 O30 U5 -","- C72 H54 N4 O30 U5 -","- C72 H54 N4 O30 U5 -","1","0.5","","Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei","Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups","CrystEngComm","2025","27","33","5603","5612","10.1039/D5CE00556F","","","0.71073","MoKα","","0.065","0.0332","","","0.0545","0.0642","","","","","","1.005","","","","has coordinates","302572","2025-10-06","08:26:18",""
"7250688","9.1929","0.0014","9.9213","0.0015","10.3415","0.0014","78.599","0.006","83.835","0.006","82.331","0.007","913.1","0.2","170","2","170","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 N3 O10 U -","- C15 H13 N3 O10 U -","- C30 H26 N6 O20 U2 -","2","1","","Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei","Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups","CrystEngComm","2025","27","33","5603","5612","10.1039/D5CE00556F","","","0.71073","MoKα","","0.0297","0.026","","","0.0601","0.062","","","","","","1.043","","","","has coordinates","302572","2025-10-06","08:26:18",""
"7250689","28.6995","0.0014","9.0816","0.0004","19.7705","0.001","90","","119.402","0.001","90","","4489.2","0.4","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H36 N6 O18 U2 -","- C42 H36 N6 O18 U2 -","- C168 H144 N24 O72 U8 -","4","0.5","","Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei","Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups","CrystEngComm","2025","27","33","5603","5612","10.1039/D5CE00556F","","","0.71073","MoKα","","0.0824","0.0486","","","0.0809","0.0906","","","","","","1.046","","","","has coordinates","302572","2025-10-06","08:26:18",""
"7250690","17.339","0.0009","7.1155","0.0004","19.8403","0.0012","90","","99.829","0.002","90","","2411.9","0.2","170","2","170","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C56 H44 N4 O14 U2 -","- C56 H44 N4 O14 U2 -","- C112 H88 N8 O28 U4 -","2","0.5","","Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei","Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups","CrystEngComm","2025","27","33","5603","5612","10.1039/D5CE00556F","","","0.71073","MoKα","","0.0404","0.0281","","","0.0478","0.0508","","","","","","1.055","","","","has coordinates","302572","2025-10-06","08:26:18",""
"7250691","12.9936","0.0013","14.0664","0.0017","14.0763","0.0016","100.371","0.004","96.142","0.004","95.899","0.004","2496.5","0.5","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H34 N2 O22 U4 -","- C46 H34 N2 O22 U4 -","- C92 H68 N4 O44 U8 -","2","1","","Song, Meng-ran; Wu, Qun-yan; Jin, Wei; Huang, Zhi-wei; Hu, Kong-qiu; Yuan, Li-yong; Wen, Wei; Shi, Wei-qun; Mei, Lei","Tuning N-donor coordination and assembly structures in uranyl compounds of carboxylate ligands with divergent vinyl pyridine groups","CrystEngComm","2025","27","33","5603","5612","10.1039/D5CE00556F","","x-ray","0.71073","MoKα","","0.0209","0.0199","","","0.0441","0.0445","","","","","","1.051","","","","has coordinates,has disorder","302572","2025-10-06","08:26:18",""
"7250692","13.2864","0.0002","13.2864","0.0002","7.2865","0.0002","90","","90","","90","","1286.27","0.04","297","2","297","2","","","","","","","","5","P 42/m m c","-P 4c 2","131","","Zn-bdp","","- C12 H8 N4 O11.2 Zn -","- C12 H8 N4 O11.2 Zn -","- C24 H16 N8 O22.4 Zn2 -","2","0.125","","Shupletsov, Leonid; Schieck, Alina C.; Senkovska, Irena; Bon, Volodymyr; Kaskel, Stefan","The use of a dynamic solvent system as a novel approach to sustainable MOF crystallization","Green Chemistry","2025","27","34","10218","10233","10.1039/D5GC01029B","","x-ray","0.71073","MoKα","","0.0349","0.029","","","0.0821","0.0848","","","","","","1.102","","","","has coordinates","302703","2025-10-06","10:00:16",""
"7250693","16.3434","0.0002","16.3434","0.0002","12.5154","0.0002","90","","90","","90","","3342.95","0.08","297","2","297","2","","","","","","","","5","I 41 2 2","I 4bw 2bw","98","","BUT-58","","- C12 H8 N4 O0.5 Zn -","- C12 H8 N4 O0.5 Zn -","- C96 H64 N32 O4 Zn8 -","8","0.5","","Shupletsov, Leonid; Schieck, Alina C.; Senkovska, Irena; Bon, Volodymyr; Kaskel, Stefan","The use of a dynamic solvent system as a novel approach to sustainable MOF crystallization","Green Chemistry","2025","27","34","10218","10233","10.1039/D5GC01029B","","x-ray","0.71073","MoKα","","0.0339","0.032","","","0.1167","0.1179","","","","","","1.128","","","","has coordinates","302703","2025-10-06","10:00:17",""
"7250694","22","0.004","6.93","0.0014","14.76","0.003","90","","90","","90","","2250.3","0.8","296","2","296","2","","","","","","","","5","I m m a","-I 2b 2","74","","Ni-bdp","","- C12 H8 N4 Ni O2 -","- C12 H8 N4 Ni O2 -","- C48 H32 N16 Ni4 O8 -","4","0.25","","Shupletsov, Leonid; Schieck, Alina C.; Senkovska, Irena; Bon, Volodymyr; Kaskel, Stefan","The use of a dynamic solvent system as a novel approach to sustainable MOF crystallization","Green Chemistry","2025","27","34","10218","10233","10.1039/D5GC01029B","","","0.7749","synchrotron","","0.0691","0.066","","","0.2059","0.212","","","","","","1.206","","","","has coordinates","302703","2025-10-06","10:00:17",""
"7250697","25.8779","0.0006","25.8779","0.0006","11.7846","0.0005","90","","90","","90","","7891.7","0.4","100","0.1","100","0.1","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C80 H76 N10 O27 Zn4 -","- C80 H76 N10 O27 Zn4 -","- C320 H304 N40 O108 Zn16 -","4","0.25","","You, Li-Xin; Wang, Xin-Yu; Li, Jin-Rong; Guo, Jie; Xiong, Gang; ding, Fu; Sun, Ya-Guang","Transformation of carbon dioxide catalyzed using an N-heterocyclic carbene copper(i)-embedded metal–organic framework","CrystEngComm","2025","27","33","5625","5632","10.1039/D5CE00627A","","x-ray","0.71073","MoKα","","0.1426","0.1196","","","0.3583","0.3892","","","","","","1.14","","","","has coordinates,has disorder","302571","2025-10-06","08:26:00",""
"7250699","24.367","0.002","9.7487","0.0008","20.9451","0.0017","90","","108.1","0.003","90","","4729.2","0.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 Cl6 Dy N4 O5 P -","- C48 H34 Cl6 Dy N4 O5 P -","- C192 H136 Cl24 Dy4 N16 O20 P4 -","4","1","","Zhang, Kun-Hua; He, Zhi; Huang, Long; Yu, Xing-Yi; Zhao, Bingshan; Yang, Jiong; Shao, Dong","Engineering dysprosium(iii) single-ion magnets via modular synthesis with strongly axial ligands","CrystEngComm","2025","27","34","5662","5668","10.1039/D5CE00636H","","x-ray","0.71073","MoKα","","0.036","0.0296","","","0.0666","0.0698","","","","","","1.065","","","","has coordinates,has disorder","302591","2025-10-06","08:34:02",""
"7250700","24.347","0.003","9.7398","0.0011","20.919","0.002","90","","108.079","0.003","90","","4715.7","0.9","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H34 Cl6 Dy N4 O5 Si -","- C48 H34 Cl6 Dy N4 O5 Si -","- C192 H136 Cl24 Dy4 N16 O20 Si4 -","4","1","","Zhang, Kun-Hua; He, Zhi; Huang, Long; Yu, Xing-Yi; Zhao, Bingshan; Yang, Jiong; Shao, Dong","Engineering dysprosium(iii) single-ion magnets via modular synthesis with strongly axial ligands","CrystEngComm","2025","27","34","5662","5668","10.1039/D5CE00636H","","x-ray","0.71073","MoKα","","0.0625","0.0355","","","0.0692","0.0796","","","","","","1.001","","","","has coordinates,has disorder","302591","2025-10-06","08:34:12",""
"7250701","12.463","0.003","17.373","0.004","21.406","0.004","101.92","0.03","95.66","0.03","101.39","0.03","4398.4","1.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C203 H135 Co4 N48 O5 S8 -","- C203 H135 Co4 N48 O5 S8 -","- C203 H135 Co4 N48 O5 S8 -","1","0.5","","Sangrador-Pérez, Jorge; Jiménez-Hernández, Patricia; Hernández, Mar García; Sañudo, E. Carolina; Costa, Jose Sanchez; Resines-Urien, Esther","Colorimetric and luminescent sensing of DMF by crystalline non-porous pyrene-based coordination compounds","CrystEngComm","2025","27","31","5286","5291","10.1039/D5CE00600G","","","0.72931","Synchrotron","","0.0956","0.0727","","","0.2016","0.2244","","","","","","1.047","","","","has coordinates","302574","2025-10-06","08:27:23",""
"7250703","14.5393","0.0006","7.7694","0.0003","17.4897","0.0008","90","","94.017","0.002","90","","1970.81","0.14","193","","193","","","","","","","","","6","P 1 n 1","P -2yac","7","","Ni-TSC-COOH","","- C34 H52 N10 Ni O4 S2 -","- C34 H52 N10 Ni O4 S2 -","- C68 H104 N20 Ni2 O8 S4 -","2","1","","Gu, Yu-Hao; Xu, Xinyu; Zhu, Chenyu; Luo, Rengan; Yuan, Shuai","Stepwise assembly of Ni–N2S2 catalytic sites and porphyrin photosensitizers in a metal–organic framework for bioinspired photocatalysis","CrystEngComm","2025","27","35","5841","5847","10.1039/D5CE00634A","","","0.71073","MoKα","","0.056","0.0492","","","0.1179","0.1243","","","","","","1.058","","","","has coordinates,has disorder","302587","2025-10-06","08:33:05",""
"7250704","19.9774","0.0009","11.3313","0.0006","8.0463","0.0003","90","","109.438","0.002","90","","1717.62","0.14","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H17 N2 O9 Zn -","- C14 H17 N2 O9 Zn -","- C56 H68 N8 O36 Zn4 -","4","0.5","","Shabangu, Samuel M.; Eaby, Alan C.; Croitor, Lilia; Bezrukov, Andrey A.; Zaworotko, Michael J.","Water vapour sorption properties of a family of square lattice topology porous coordination networks.","CrystEngComm","2025","27","34","5669","5675","10.1039/d5ce00385g","","","0.71073","MoKα","","0.0979","0.0545","","","0.1076","0.1249","","","","","","1.013","","","","has coordinates,has disorder","302590","2025-10-06","08:33:48",""
"7250705","19.654","0.003","11.4262","0.0014","7.961","0.0009","90","","112.118","0.005","90","","1656.2","0.4","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N2 O8 Zn -","- C14 H18 N2 O8 Zn -","- C56 H72 N8 O32 Zn4 -","4","0.5","","Shabangu, Samuel M.; Eaby, Alan C.; Croitor, Lilia; Bezrukov, Andrey A.; Zaworotko, Michael J.","Water vapour sorption properties of a family of square lattice topology porous coordination networks.","CrystEngComm","2025","27","34","5669","5675","10.1039/d5ce00385g","","","0.71075","MoKα","","0.1457","0.0722","","","0.145","0.1664","","","","","","1.022","","","","has coordinates,has disorder","302590","2025-10-06","08:33:49",""
"7250706","8.6985","0.0002","12.5843","0.0004","15.8735","0.0005","84.8","0.001","79.432","0.001","88.07","0.001","1700.82","0.09","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H18 Cl4 N4 Zn -","- C10 H18 Cl4 N4 Zn -","- C40 H72 Cl16 N16 Zn4 -","4","2","","Hempel, Jacob L.; Wells, Michael D.; Parkin, Sean; Cheng, Yang-Tse; Huckaba, Aron J.","Understanding the relationship between the crystal structure elastic–plastic properties of discrete-molecule organic–inorganic halide perovskites","CrystEngComm","2025","27","34","5743","5751","10.1039/D5CE00716J","","","0.71073","MoKα","","0.0204","0.0187","","","0.0453","0.046","","","","","","1.056","","","","has coordinates,has disorder","302588","2025-10-06","08:33:18",""
"7250707","12.9534","0.0004","8.1094","0.0002","14.0848","0.0005","90","","91.692","0.001","90","","1478.88","0.08","90","0.2","90","0.2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H14 Cl4 N4 Zn -","- C8 H14 Cl4 N4 Zn -","- C32 H56 Cl16 N16 Zn4 -","4","1","","Hempel, Jacob L.; Wells, Michael D.; Parkin, Sean; Cheng, Yang-Tse; Huckaba, Aron J.","Understanding the relationship between the crystal structure elastic–plastic properties of discrete-molecule organic–inorganic halide perovskites","CrystEngComm","2025","27","34","5743","5751","10.1039/D5CE00716J","","","0.71073","MoKα","","0.0299","0.0222","","","0.049","0.0516","","","","","","1.036","","","","has coordinates","302588","2025-10-06","08:33:18",""
"7250708","11.7103","0.0002","9.7878","0.0002","15.3735","0.0004","90","","95.455","0.002","90","","1754.1","0.07","301.2","0.1","301.2","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O S2 -","- C21 H18 O S2 -","- C84 H72 O4 S8 -","4","1","","Yuan, Yong; Bai, Chunyan; Tao, Yuyan; Zhang, Ya-Nan; Bao, Xiazhen; Ji, Dongsheng; Wang, Liwei; Qi, Xiaotian; Huo, Congde","Electrochemical ring-opening oxidation of aryl thianthrenium salts","Green Chemistry","2025","27","32","9777","9786","10.1039/D5GC02103K","","x-ray","1.54184","CuKα","","0.04","0.0366","","","0.0962","0.0985","","","","","","1.081","","","","has coordinates","302700","2025-10-06","09:59:07",""
"7250709","14.712","0.0002","9.99449","0.00019","21.0468","0.0004","90","","90","","90","","3094.7","0.09","150.01","0.1","150.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C36 H28 O4 S4 -","- C36 H28 O4 S4 -","- C144 H112 O16 S16 -","4","1","","Yuan, Yong; Bai, Chunyan; Tao, Yuyan; Zhang, Ya-Nan; Bao, Xiazhen; Ji, Dongsheng; Wang, Liwei; Qi, Xiaotian; Huo, Congde","Electrochemical ring-opening oxidation of aryl thianthrenium salts","Green Chemistry","2025","27","32","9777","9786","10.1039/D5GC02103K","","x-ray","1.54184","CuKα","","0.0297","0.0288","","","0.0774","0.0783","","","","","","1.059","","","","has coordinates","302700","2025-10-06","09:59:08",""
"7250713","5.19055","0.00019","5.19055","0.00019","11.151","0.006","90","","90","","120","","260.18","0.14","293","2","293","2","5650000","50000","5650000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0255","0.0253","","","0.0722","0.0722","","","","","","1.276","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250714","5.1506","0.0005","5.1506","0.0005","10.696","0.018","90","","90","","120","","245.7","0.4","293","2","293","2","9120000","50000","9120000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0235","0.0232","","","0.0717","0.0719","","","","","","1.22","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250715","5.1237","0.0006","5.1237","0.0006","10.62","0.02","90","","90","","120","","241.4","0.5","293","2","293","2","10890000","50000","10890000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0327","0.0316","","","0.0892","0.0893","","","","","","1.266","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250716","5.1774","0.0002","5.1774","0.0002","10.969","0.007","90","","90","","120","","254.64","0.16","293","2","293","2","6900000","50000","6900000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0244","0.0243","","","0.0741","0.0741","","","","","","1.285","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250717","5.1364","0.0006","5.1364","0.0006","10.63","0.02","90","","90","","120","","242.9","0.5","293","2","293","2","10010000","50000","10010000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0275","0.0271","","","0.0681","0.0681","","","","","","1.222","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250718","5.1636","0.0003","5.1636","0.0003","10.89","0.009","90","","90","","120","","251.5","0.2","293","2","293","2","7650000","50000","7650000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0221","0.022","","","0.0635","0.0635","","","","","","1.295","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250719","5.1218","0.0007","5.1218","0.0007","10.55","0.02","90","","90","","120","","239.7","0.5","293","2","293","2","11710000","50000","11710000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0401","0.038","","","0.1165","0.1169","","","","","","1.181","","","","has coordinates,has disorder","302581","2025-10-06","08:30:43",""
"7250720","5.2708","0.0003","5.2708","0.0003","9.089","0.01","90","","90","","120","","218.7","0.2","293","2","293","2","290000","50000","290000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0218","0.0186","","","0.05","0.0503","","","","","","1.227","","","","has coordinates","302581","2025-10-06","08:30:43",""
"7250721","5.1888","0.0004","5.1888","0.0004","8.136","0.01","90","","90","","120","","189.7","0.2","293","2","293","2","7220000","50000","7220000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0255","0.0236","","","0.053","0.0531","","","","","","1.312","","","","has coordinates","302581","2025-10-06","08:30:43",""
"7250722","5.1471","0.0018","5.1471","0.0018","7.94","0.04","90","","90","","120","","182.2","0.9","293","2","293","2","10780000","50000","10780000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0568","0.0481","","","0.1325","0.1401","","","","","","1.202","","","","has coordinates","302581","2025-10-06","08:30:43",""
"7250723","5.2685","0.0003","5.2685","0.0003","9.02","0.008","90","","90","","120","","216.83","0.19","293","2","293","2","560000","50000","560000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0212","0.02","","","0.055","0.0553","","","","","","1.287","","","","has coordinates","302581","2025-10-06","08:30:43",""
"7250724","5.1738","0.0011","5.1738","0.0011","8.3","0.03","90","","90","","120","","192.4","0.7","293","2","293","2","6120000","50000","6120000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0752","0.0716","","","0.1882","0.1918","","","","","","1.362","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250725","5.163","0.0008","5.163","0.0008","8.04","0.02","90","","90","","120","","185.6","0.5","293","2","293","2","10550000","50000","10550000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0626","0.0578","","","0.1466","0.1485","","","","","","1.128","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250726","5.1848","0.0006","5.1848","0.0006","8.186","0.012","90","","90","","120","","190.6","0.3","293","2","293","2","8050000","50000","8050000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.4957","synchrotron","","0.0368","0.0278","","","0.0656","0.0676","","","","","","1.142","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250727","5.2662","0.0006","5.2662","0.0006","8.629","0.018","90","","90","","120","","207.2","0.4","293","2","293","2","3250000","50000","3250000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0333","0.0312","","","0.0744","0.0749","","","","","","1.159","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250728","5.2896","0.0006","5.2896","0.0006","9.018","0.015","90","","90","","120","","218.5","0.4","293","2","293","2","960000","5000","960000","5000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0449","0.0439","","","0.1216","0.1218","","","","","","1.213","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250729","5.26981","0.00014","5.26981","0.00014","12.545","0.005","90","","90","","120","","301.71","0.12","293","2","293","2","190000","50000","190000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.4956","synchrotron","","0.0306","0.0304","","","0.0844","0.0845","","","","","","1.277","","","","has coordinates,has disorder","302581","2025-10-06","08:30:44",""
"7250730","5.2676","0.00014","5.2676","0.00014","12.532","0.005","90","","90","","120","","301.15","0.12","293","2","293","2","260000","50000","260000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.4956","synchrotron","","0.0249","0.0248","","","0.072","0.0721","","","","","","1.235","","","","has coordinates,has disorder","302581","2025-10-06","08:30:44",""
"7250731","5.1698","0.0011","5.1698","0.0011","8","0.03","90","","90","","120","","185.2","0.7","293","2","293","2","9330000","50000","9330000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0418","0.0376","","","0.107","0.1082","","","","","","1.119","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250732","5.12","0.003","5.12","0.003","7.84","0.07","90","","90","","120","","178","1.6","293","2","293","2","12800000","50000","12800000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0965","0.0748","","","0.2113","0.2383","","","","","","1.249","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250733","5.045","0.004","5.045","0.004","7.94","0.13","90","","90","","120","","175","3","293","2","293","2","14760000","50000","14760000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","- As4 Br H4 N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.2211","0.1798","","","0.4386","0.5054","","","","","","1.737","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250734","5.191","0.0008","5.191","0.0008","8.058","0.017","90","","90","","120","","188","0.4","293","2","293","2","9160000","50000","9160000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.056","0.0446","","","0.1455","0.1667","","","","","","1.361","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250735","5.2057","0.0007","5.2057","0.0007","8.103","0.015","90","","90","","120","","190.2","0.4","293","2","293","2","8200000","50000","8200000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0621","0.0495","","","0.1444","0.1689","","","","","","1.357","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250736","5.1768","0.0007","5.1768","0.0007","8.138","0.02","90","","90","","120","","188.9","0.5","293","2","293","2","8680000","50000","8680000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0551","0.0496","","","0.1228","0.1242","","","","","","1.213","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250737","5.1794","0.0013","5.1794","0.0013","8.2","0.03","90","","90","","120","","190.5","0.7","293","2","293","2","9190000","50000","9190000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0666","0.0601","","","0.1352","0.1368","","","","","","1.126","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250738","5.217","0.0009","5.217","0.0009","8.24","0.02","90","","90","","120","","194.2","0.5","293","2","293","2","7120000","50000","7120000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0311","0.0285","","","0.0755","0.0759","","","","","","1.269","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250739","5.26449","0.00019","5.26449","0.00019","8.782","0.005","90","","90","","120","","210.78","0.12","293","2","293","2","2340000","50000","2340000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0486","0.0459","","","0.106","0.1068","","","","","","1.08","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250740","5.1827","0.0009","5.1827","0.0009","8.14","0.02","90","","90","","120","","189.4","0.5","293","2","293","2","9640000","50000","9640000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0425","0.0393","","","0.098","0.0984","","","","","","1.266","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250741","5.1683","0.0013","5.1683","0.0013","8.11","0.03","90","","90","","120","","187.6","0.7","293","2","293","2","10440000","50000","10440000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0363","0.0312","","","0.0908","0.0915","","","","","","1.199","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250742","5.2602","0.0006","5.2602","0.0006","8.527","0.017","90","","90","","120","","204.3","0.4","293","2","293","2","3940000","50000","3940000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0389","0.0372","","","0.0934","0.0941","","","","","","1.155","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250743","5.2037","0.0006","5.2037","0.0006","8.405","0.016","90","","90","","120","","197.1","0.4","293","2","293","2","5680000","50000","5680000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0274","0.0248","","","0.0612","0.0616","","","","","","1.287","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250744","5.28426","0.00019","5.28426","0.00019","9.181","0.006","90","","90","","120","","222.02","0.15","293","2","293","2","620000","5000","620000","5000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0321","0.0311","","","0.0835","0.0838","","","","","","1.278","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250745","5.2909","0.0006","5.2909","0.0006","8.918","0.014","90","","90","","120","","216.2","0.3","293","2","293","2","1320000","50000","1320000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0496","0.0483","","","0.1299","0.1305","","","","","","1.148","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250746","5.28876","0.00017","5.28876","0.00017","9.354","0.005","90","","90","","120","","226.59","0.12","293","2","293","2","100","5","100","5","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 H4 I N O6 -","- As4 H4 I N O6 -","- As4 H4 I N O6 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49568","synchrotron","","0.0297","0.028","","","0.0738","0.0748","","","","","","1.128","","","","has coordinates","302581","2025-10-06","08:30:44",""
"7250747","5.2163","0.0002","5.2163","0.0002","11.509","0.005","90","","90","","120","","271.2","0.12","293","2","293","2","3590000","50000","3590000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.4956","synchrotron","","0.0303","0.0303","","","0.0907","0.0907","","","","","","1.231","","","","has coordinates,has disorder","302581","2025-10-06","08:30:44",""
"7250748","5.2567","0.00013","5.2567","0.00013","12.24","0.005","90","","90","","120","","292.91","0.12","293","2","293","2","950000","50000","950000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0216","0.0215","","","0.0643","0.0643","","","","","","1.243","","","","has coordinates,has disorder","302581","2025-10-06","08:30:44",""
"7250749","5.19615","0.00014","5.19615","0.00014","11.199","0.005","90","","90","","120","","261.86","0.12","293","2","293","2","5280000","50000","5280000","50000","","","","5","P 6/m m m","-P 6 2","191","","","","- As4 Cl2 H10 N2 O7 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","- As4 Cl2 H10.0012 N2.0002 O7.0002 -","1","0.0416667","","Guńka, Piotr A.; Milos, Sofija; Ende, Martin; Alabarse, Frederico; Miletich, Ronald; Dziubek, Kamil F.","Compressing arsenic⋯halogen secondary bonds: a high-pressure structural study of arsenic(iii) oxide intercalates with ammonium halides","CrystEngComm","2025","27","36","5983","5988","10.1039/D5CE00593K","","x-ray","0.49585","synchrotron","","0.0318","0.0317","","","0.1072","0.1072","","","","","","1.304","","","","has coordinates,has disorder","302581","2025-10-06","08:30:44",""
"7250750","33.015","0.002","9.738","0.0006","18.1598","0.001","90","","95.296","0.003","90","","5813.5","0.6","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 N2 O16 Zn3 -","- C36 H32 N2 O16 Zn3 -","- C144 H128 N8 O64 Zn12 -","4","0.5","","Zeeshan, Mohd; Khan, Mohammad Yasir; Shahid, M.; Khalid Parvez, Mohammad; Li, Xiang","Tailored nanoporous composite of a bimetallic Zn-based MOF featuring two rare-metal geometries for organic dye sequestration: a mechanistic and kinetic insight into wastewater remediation","CrystEngComm","2025","27","36","5989","6008","10.1039/D5CE00684H","","","0.71073","MoKα","","0.0583","0.0541","","","0.1473","0.1524","","","","","","1.0427","","","","has coordinates","302577","2025-10-06","08:28:06",""
"7250753","19.3314","0.0003","19.3314","0.0003","20.9001","0.0006","90","","90","","120","","6764","0.2","100","2","100","2","","","","","","","","5","P 61","P 61","169","","","","- C72 H46 O23 S8 Zn4 -","- C72 H46 O23 S8 Zn4 -","- C216 H138 O69 S24 Zn12 -","3","0.5","","Wang, Yingchao; Miao, Xiaohe; Sun, Lei","Morphological control of a metal–organic framework for single-crystal electronic device fabrication","CrystEngComm","2025","27","35","5848","5854","10.1039/D5CE00534E","","","0.71073","MoKα","","0.0566","0.0538","","","0.1731","0.177","","","","","","1.091","","","","has coordinates,has disorder","302585","2025-10-06","08:32:44",""
"7250754","9.144","0.0007","32.017","0.003","18.9187","0.0019","90","","91.622","0.004","90","","5536.5","0.9","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H86 N4 O25 S8 -","- C84 H86 N4 O25 S8 -","- C168 H172 N8 O50 S16 -","2","0.5","","Wang, Yingchao; Miao, Xiaohe; Sun, Lei","Morphological control of a metal–organic framework for single-crystal electronic device fabrication","CrystEngComm","2025","27","35","5848","5854","10.1039/D5CE00534E","","","1.34139","GaKα","","0.1092","0.0947","","","0.2796","0.2905","","","","","","0.994","","","","has coordinates,has disorder","302585","2025-10-06","08:32:44",""
"7250755","14.369","0.003","12.237","0.003","14.727","0.004","90","","94.916","0.004","90","","2580","1.1","296","2","296.15","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C16 H37 Co Cu N10 O6 -","- C16 H37 Co Cu N10 O6 -","- C64 H148 Co4 Cu4 N40 O24 -","4","0.5","","Cai, Qi-Juan; Ma, Lu-Yao; Zhang, Kun-Hua; Dong, Fu-Wan; Sun, Ao-Na; Yang, Jiong; Shao, Dong","A highly hydrogen-bonded {Cu2Co} cyanide complex exhibiting high room-temperature proton conduction","CrystEngComm","2025","27","35","5788","5792","10.1039/D5CE00674K","","","0.71073","MoKα","","0.1113","0.0987","","","0.2819","0.2969","","","","","","1.057","","","","has coordinates,has disorder","302582","2025-10-06","08:31:35",""
"7250767","24.9634","","24.9634","","24.9634","","90","","90","","90","","15556.5","","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al57.6 K56.27802 O389.0341 Si134.4 -","- Al57.6 K56.272 O389.024 Si134.4 -","- Al57.6 K56.272 O389.024 Si134.4 -","1","0.00520833","","Chaib Draa, Yacine Malik; Örs, Taylan; Deroche, Irena; Dejoie, Catherine; Paillaud, Jean-Louis","3D ED for the localization of cations in potassium exchanged and partially dehydrated nano Y zeolite","CrystEngComm","2025","27","30","5095","5099","10.1039/D5CE00520E","","electron","0.02508","electron","","0.4321","0.11","","","0.1965","0.2404","","","","3.3645","3.3645","1.4499","","","","has coordinates","301445","2025-08-04","10:57:25",""
"7250768","24.8816","0.00003","24.8816","","24.8816","","90","","90","","90","","15404","0.019","","","300","","","","100","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Al0.6 K0.593 O4.04 Si1.4 -","- Al0.6 K0.59255 O4.04033 Si1.4 -","- Al57.6 K56.8848 O387.872 Si134.4 -","96","0.5","","Chaib Draa, Yacine Malik; Örs, Taylan; Deroche, Irena; Dejoie, Catherine; Paillaud, Jean-Louis","3D ED for the localization of cations in potassium exchanged and partially dehydrated nano Y zeolite","CrystEngComm","2025","27","30","5095","5099","10.1039/D5CE00520E","powder diffraction","x-ray","0.35442","","","","","","","0.04029","","0.06627","","4.074","","","","","","","has coordinates","301445","2025-08-04","10:57:25",""
"7250772","20.5422","0.0007","20.5422","0.0007","7.9574","0.0005","90","","90","","120","","2908","0.2","298","","298","","","","","","","","","3","R -3 :H","-R 3","148","","","","- C36 H60 N14 -","- C36 H58.6662 N14 -","- C108 H175.999 N42 -","3","0.166667","","Geng, Shuai; He, Yu-Ou; Han, Wang-Kang; Gu, Zhi-Guo","π-Stacked organic frameworks with captured ammonia for benzamide synthesis","CrystEngComm","2025","27","36","6074","6078","10.1039/D5CE00604J","","","0.71073","MoKα","","0.09","0.0684","","","0.191","0.2148","","","","","","1.117","","","","has coordinates,has disorder","302580","2025-10-06","08:29:45",""
"7250773","9.9196","0.0019","4.7031","0.0008","11.861","0.002","90","","96.888","0.008","90","","549.36","0.17","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 O2 -","- C10 H12 N4 O2 -","- C20 H24 N8 O4 -","2","0.5","","Geng, Shuai; He, Yu-Ou; Han, Wang-Kang; Gu, Zhi-Guo","π-Stacked organic frameworks with captured ammonia for benzamide synthesis","CrystEngComm","2025","27","36","6074","6078","10.1039/D5CE00604J","","","0.71073","MoKα","","0.0393","0.0349","","","0.0965","0.1","","","","","","1.095","","","","has coordinates","302580","2025-10-06","08:29:47",""
"7250774","9.2232","0.001","14.7495","0.0015","7.6284","0.0008","90","","90","","90","","1037.75","0.19","150","","150","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H12 N2 O -","- C12 H12 N2 O -","- C48 H48 N8 O4 -","4","1","","Geng, Shuai; He, Yu-Ou; Han, Wang-Kang; Gu, Zhi-Guo","π-Stacked organic frameworks with captured ammonia for benzamide synthesis","CrystEngComm","2025","27","36","6074","6078","10.1039/D5CE00604J","","","0.71073","MoKα","","0.0402","0.0376","","","0.0976","0.1006","","","","","","1.069","","","","has coordinates","302580","2025-10-06","08:29:47",""
"7250775","7.6005","0.001","18.3331","0.0017","8.5191","0.0011","90","","90","","90","","1187.1","0.2","298","2","298","2","","","","","","","","3","I m a 2","I 2 -2a","46","","","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","0.5","","Geng, Shuai; He, Yu-Ou; Han, Wang-Kang; Gu, Zhi-Guo","π-Stacked organic frameworks with captured ammonia for benzamide synthesis","CrystEngComm","2025","27","36","6074","6078","10.1039/D5CE00604J","","","1.54178","Cukα","","0.0461","0.0381","","","0.0967","0.1024","","","","","","1.058","","","","has coordinates","302580","2025-10-06","08:29:47",""
"7250776","8.422","0.0017","15.067","0.003","13.735","0.003","90","","98.15","0.03","90","","1725.3","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 Cd Cl2 N12 O10 -","- C28 H28 Cd Cl2 N12 O10 -","- C56 H56 Cd2 Cl4 N24 O20 -","2","0.5","","Ebrahimi, Bahare; Notash, Behrouz","Moisture-induced single-crystal-to-powder structural transformation in cadmium coordination compounds containing an electron-deficient ligand: coordinated solvent exchange and retention of dimension","CrystEngComm","2025","27","35","5889","5900","10.1039/D5CE00648A","","","0.71073","MoKα","","0.1132","0.0798","","","0.2064","0.224","","","","","","1.045","","","","has coordinates","302584","2025-10-06","08:32:21",""
"7250777","8.6491","0.0017","9.1342","0.0018","9.599","0.0019","88.5","0.03","76.85","0.03","72.1","0.03","701.9","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H28 Cd Cl2 N6 O12 -","- C20 H28 Cd Cl2 N6 O12 -","- C20 H28 Cd Cl2 N6 O12 -","1","0.5","","Ebrahimi, Bahare; Notash, Behrouz","Moisture-induced single-crystal-to-powder structural transformation in cadmium coordination compounds containing an electron-deficient ligand: coordinated solvent exchange and retention of dimension","CrystEngComm","2025","27","35","5889","5900","10.1039/D5CE00648A","","","0.71073","MoKα","","0.0504","0.046","","","0.1229","0.1272","","","","","","1.086","","","","has coordinates","302584","2025-10-06","08:32:22",""
"7250778","7.6679","0.0015","8.6057","0.0017","11.831","0.002","90.53","0.03","97.08","0.03","99.36","0.03","764.1","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Cd Cl2 N12 O10 -","- C24 H20 Cd Cl2 N12 O10 -","- C24 H20 Cd Cl2 N12 O10 -","1","0.5","","Ebrahimi, Bahare; Notash, Behrouz","Moisture-induced single-crystal-to-powder structural transformation in cadmium coordination compounds containing an electron-deficient ligand: coordinated solvent exchange and retention of dimension","CrystEngComm","2025","27","35","5889","5900","10.1039/D5CE00648A","","","0.71073","MoKα","","0.0755","0.0527","","","0.107","0.1147","","","","","","0.963","","","","has coordinates","302584","2025-10-06","08:32:22",""
"7250779","10.2217","0.0013","25.507","0.003","9.3872","0.0011","90","","110.477","0.003","90","","2292.8","0.5","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 Cl O2 Si -","- C26 H23 Cl O2 Si -","- C104 H92 Cl4 O8 Si4 -","4","1","","Gao, Liuzhou; Wen, Yan; Sun, Yan; Sun, Yuxin; Hu, Jingyi; Wang, Shenglong; Li, Zhenxing; Han, Ying; Wang, Yidong","Metal-free C(sp3)–Si activation enables regiocontrolled [4 + 2] cycloaddition to benzosilacycloethers","Green Chemistry","2025","27","34","10242","10249","10.1039/D5GC03044G","","","0.71073","MoKα","","0.2032","0.0681","","","0.1107","0.1433","","","","","","1.001","","","","has coordinates","302704","2025-10-06","10:00:34",""
"7250780","12.3335","0.0008","8.966","0.0006","20.5471","0.0013","90","","99.799","0.002","90","","2239","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 F3 N2 O5 -","- C26 H19 F3 N2 O5 -","- C104 H76 F12 N8 O20 -","4","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Gomila, Rosa M.; Nikitina, Eugeniya V.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Frontera, Antonio","n → π* and chalcogen bonds in azole-substituted isoindole derivatives: a combined crystallographic and computational study","CrystEngComm","2025","27","37","6155","6162","10.1039/D5CE00673B","","","0.71073","MoKα","","0.0807","0.048","","","0.097","0.1105","","","","","","1.019","","","","has coordinates","302566","2025-10-06","08:24:19",""
"7250781","8.4801","0.0005","19.1845","0.0011","14.4828","0.0008","90","","93.598","0.002","90","","2351.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 Cl2 F3 N2 O4 S -","- C26 H17 Cl2 F3 N2 O4 S -","- C104 H68 Cl8 F12 N8 O16 S4 -","4","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Gomila, Rosa M.; Nikitina, Eugeniya V.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Frontera, Antonio","n → π* and chalcogen bonds in azole-substituted isoindole derivatives: a combined crystallographic and computational study","CrystEngComm","2025","27","37","6155","6162","10.1039/D5CE00673B","","","0.71073","MoKα","","0.0578","0.0393","","","0.0898","0.0993","","","","","","1.029","","","","has coordinates","302566","2025-10-06","08:24:19",""
"7250782","9.6442","0.0008","10.376","0.0009","11.0944","0.0009","117.344","0.003","104.347","0.003","90.546","0.003","945.53","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 N3 O5 S -","- C22 H17 N3 O5 S -","- C44 H34 N6 O10 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Gomila, Rosa M.; Nikitina, Eugeniya V.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Frontera, Antonio","n → π* and chalcogen bonds in azole-substituted isoindole derivatives: a combined crystallographic and computational study","CrystEngComm","2025","27","37","6155","6162","10.1039/D5CE00673B","","","0.71073","MoKα","","0.0551","0.0411","","","0.0899","0.0973","","","","","","1.025","","","","has coordinates","302566","2025-10-06","08:24:19",""
"7250783","17.4671","0.0016","5.1768","0.0005","21.844","0.002","90","","90","","90","","1975.2","0.3","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H20 N4 O4 S -","- C23 H20 N4 O4 S -","- C92 H80 N16 O16 S4 -","4","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Gomila, Rosa M.; Nikitina, Eugeniya V.; Zaytsev, Vladimir P.; Zubkov, Fedor I.; Frontera, Antonio","n → π* and chalcogen bonds in azole-substituted isoindole derivatives: a combined crystallographic and computational study","CrystEngComm","2025","27","37","6155","6162","10.1039/D5CE00673B","","","0.71073","MoKα","","0.0697","0.0508","","","0.1001","0.1081","","","","","","1.022","","","","has coordinates","302566","2025-10-06","08:24:19",""
"7250797","9.711","0.002","10.465","0.003","11.661","0.003","73.798","0.004","73.558","0.004","62.944","0.004","996.4","0.4","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 F3 N O -","- C23 H20 F3 N O -","- C46 H40 F6 N2 O2 -","2","1","","Lu, Meiqun; Chen, Kailun; Cai, Hu","Electrochemical intermolecular trifluoromethylimination of alkenes","Green Chemistry","2025","27","36","10994","10999","10.1039/D5GC02920A","","","0.71073","MoKα","","0.0736","0.0452","","","0.1069","0.122","","","","","","1.034","","","","has coordinates","302701","2025-10-06","09:59:31",""
"7250802","7.1533","0.0001","13.3033","0.0002","17.4216","0.0002","90","","90","","90","","1657.88","0.04","99.99","0.1","99.99","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","2-Methoxy-1,8-bis(dimethylamino)naphthalene hydrogen tetrafluoroborate","","","- C16 H22 B D F4 N2 -","- C16 H22 B D F4 N2 -","- C64 H88 B4 D4 F16 N8 -","4","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0319","0.0303","","","0.0803","0.0817","","","","","","1.034","","","","has coordinates,has disorder","302564","2025-10-06","08:23:14",""
"7250803","8.1255","0.0005","8.1953","0.0004","12.3764","0.0006","84.836","0.004","73.423","0.005","78.518","0.005","773.61","0.08","296.17","0.16","296.17","0.16","","","","","","","","5","P -1","-P 1","2","","","","- C14 H19 Cl N2 O4 -","- C14 H19 Cl N2 O4 -","- C28 H38 Cl2 N4 O8 -","2","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0688","0.0632","","","0.1855","0.1921","","","","","","1.069","","","","has coordinates,has disorder","302564","2025-10-06","08:23:15",""
"7250804","13.7546","0.0001","9.5537","0.0001","14.4904","0.0001","90","","90.66","0.001","90","","1904.02","0.03","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 B Br4 F4 N2 -","- C14 H15 B Br4 F4 N2 -","- C56 H60 B4 Br16 F16 N8 -","4","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0292","0.0275","","","0.0712","0.0724","","","","","","1.059","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250805","12.8442","0.0001","8.7712","0.0001","19.1298","0.0002","90","","107.671","0.001","90","","2053.46","0.04","100.01","0.16","100.01","0.16","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H31 Br2 N3 -","- C18 H31 Br2 N3 -","- C72 H124 Br8 N12 -","4","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0249","0.0232","","","0.0602","0.0615","","","","","","1.054","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250806","12.0536","0.0002","14.2355","0.0004","15.5369","0.0003","71.122","0.002","78.938","0.002","80.513","0.002","2460.49","0.1","100.2","0.9","100.2","0.9","","","","","","","","6","P -1","-P 1","2","","","","- C43 H62 B2 F8 N4 S8 -","- C43 H62 B2 F8 N4 S8 -","- C86 H124 B4 F16 N8 S16 -","2","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0451","0.0405","","","0.1083","0.1116","","","","","","1.074","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250807","12.1978","0.0001","11.4803","0.0001","12.6584","0.0002","90","","90","","90","","1772.61","0.04","100","0.1","100","0.1","","","","","","","","6","P n m a","-P 2ac 2n","62","2-Methoxy-1,8-bis(dimethylamino)naphthalene hydrogen tetrafluoroborate","","","- C18 H20 B D7 F4 N2 -","- C18 H20 B D7 F4 N2 -","- C72 H80 B4 D28 F16 N8 -","4","0.5","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0491","0.0467","","","0.1161","0.1179","","","","","","1.065","","","","has coordinates,has disorder","302564","2025-10-06","08:23:15",""
"7250808","11.3768","0.0002","12.6149","0.0003","13.7199","0.0002","90","","97.067","0.002","90","","1954.08","0.06","100.01","0.1","100.01","0.1","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C15 H19 B Cl2 F4 N2 S2 -","- C15 H19 B Cl2 F4 N2 S2 -","- C60 H76 B4 Cl8 F16 N8 S8 -","4","0.5","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0486","0.0471","","","0.1269","0.1283","","","","","","1.099","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250809","12.0279","0.0001","11.5143","0.0001","12.8178","0.0001","90","","90","","90","","1775.17","0.03","100.01","0.1","100.01","0.1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H27 N3 S -","- C19 H27 N3 S -","- C76 H108 N12 S4 -","4","0.5","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0433","0.0424","","","0.1145","0.1155","","","","","","1.055","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250810","14.7071","0.0009","7.754","0.0005","15.6954","0.0011","90","","111.348","0.007","90","","1667.1","0.2","100","0.3","100","0.3","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 B F4 N2 Se2 -","- C14 H17 B F4 N2 Se2 -","- C56 H68 B4 F16 N8 Se8 -","4","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","0.71073","MoKα","","0.0399","0.0312","","","0.0703","0.0751","","","","","","1.031","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250811","7.7857","0.0002","8.4721","0.0002","14.0062","0.0004","86.404","0.002","76.855","0.002","81.59","0.002","889.57","0.04","100.01","0.1","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H23 B F4 N2 S2 -","- C16 H23 B F4 N2 S2 -","- C32 H46 B2 F8 N4 S4 -","2","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0334","0.0327","","","0.0798","0.0801","","","","","","1.192","","","","has coordinates,has disorder","302564","2025-10-06","08:23:15",""
"7250812","10.0876","0.0002","10.7862","0.0002","11.0225","0.0003","106.729","0.002","108.33","0.002","104.687","0.002","1009.18","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H27 B F4 N2 S2 -","- C18 H27 B F4 N2 S2 -","- C36 H54 B2 F8 N4 S4 -","2","1","","Ozeryanskii, Valery A.; Demidov, Oleg P.; Marchenko, Andrey V.","Intramolecular hydrogen bonding in 1,8-bis(dimethylamino)naphthalenes containing two to four heteroatomic functions in the ortho- and peri-positions: from CD3 to sulfur and selenium","CrystEngComm","2025","27","37","6163","6173","10.1039/D5CE00621J","","x-ray","1.54184","CuKα","","0.0313","0.0305","","","0.0817","0.0823","","","","","","1.041","","","","has coordinates","302564","2025-10-06","08:23:15",""
"7250813","4.1879","0.0001","19.4145","0.0003","13.7194","0.0003","90","","97.095","0.002","90","","1106.93","0.04","149.99","0.1","149.99","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 F N4 O2 -","- C12 H9 F N4 O2 -","- C48 H36 F4 N16 O8 -","4","1","","Zhang, Xiaofeng; Nallapati, Sashirekha; Johnson, Shea; Chen, Xian; Lim, Jongwon","A PASE synthesis of tetrazoloquinolines and its applications in the syntheses of bioactive compounds","Green Chemistry","2025","27","36","10980","10987","10.1039/D5GC00908A","","x-ray","1.54184","CuKα","","0.0486","0.0436","","","0.1231","0.1297","","","","","","1.04","","","","has coordinates","302702","2025-10-06","09:59:51",""
"7250814","4.6263","0.0001","12.8003","0.0004","20.056","0.0004","104.633","0.002","95.726","0.002","94.206","0.002","1137.41","0.05","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 F N4 O2 -","- C12 H9 F N4 O2 -","- C48 H36 F4 N16 O8 -","4","2","","Zhang, Xiaofeng; Nallapati, Sashirekha; Johnson, Shea; Chen, Xian; Lim, Jongwon","A PASE synthesis of tetrazoloquinolines and its applications in the syntheses of bioactive compounds","Green Chemistry","2025","27","36","10980","10987","10.1039/D5GC00908A","","x-ray","1.54184","CuKα","","0.0494","0.0399","","","0.1058","0.1125","","","","","","1.039","","","","has coordinates","302702","2025-10-06","09:59:51",""
"7250817","15.7628","0.0006","11.1236","0.0004","8.4309","0.0003","90","","99.61","0.004","90","","1457.52","0.09","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 N2 O8 Sr -","- C14 H8 N2 O8 Sr -","- C56 H32 N8 O32 Sr4 -","4","0.5","","Hayat, Mohd Umar; Khalid, Mohd; Kamal, Samrah; Shahid, M.; Ahmad, Musheer","Fabrication of a 3D Sr-based metal–organic framework bearing ant topology for highly efficient iodine capture in solution and vapor phases","CrystEngComm","2025","27","40","6639","6651","10.1039/D5CE00539F","","","0.71073","MoKα","","0.0392","0.0287","","","0.0698","0.073","","","","","","1.0325","","","","has coordinates","303702","2025-11-29","19:12:57",""
"7250819","12.713","0.0005","12.93","0.0004","14.0951","0.0005","90","","90","","90","","2316.94","0.14","298","","298","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H32 N O2 P S2 -","- C21 H32 N O2 P S2 -","- C84 H128 N4 O8 P4 S8 -","4","1","","Kumar, Pretam; Gomila, Rosa M.; Frontera, Antonio; Pandey, Sushil K.","Establishing σ-hole tetrel bonds by hemidirected lead(ii) phosphonodithioates","CrystEngComm","2025","27","38","6386","6396","10.1039/D5CE00611B","","x-ray","1.54184","CuKα","","0.0383","0.036","","","0.0956","0.0988","","","","","","1.026","","","","has coordinates","302593","2025-10-06","08:34:49",""
"7250820","10.3663","0.0005","23.2716","0.0012","13.824","0.0006","90","","103.996","0.004","90","","3235.9","0.3","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H56 O8 P4 Pb2 S8 -","- C56 H56 O8 P4 Pb2 S8 -","- C112 H112 O16 P8 Pb4 S16 -","2","0.5","","Kumar, Pretam; Gomila, Rosa M.; Frontera, Antonio; Pandey, Sushil K.","Establishing σ-hole tetrel bonds by hemidirected lead(ii) phosphonodithioates","CrystEngComm","2025","27","38","6386","6396","10.1039/D5CE00611B","","x-ray","0.71073","MoKα","","0.1234","0.0899","","","0.2264","0.2502","","","","","","1.299","","","","has coordinates","302593","2025-10-06","08:34:49",""
"7250826","10.0521","0.0004","16.6181","0.0008","15.0137","0.0007","90","","94.785","0.004","90","","2499.2","0.2","100.3","0.8","100.3","0.8","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H23 N O S -","- C34 H23 N O S -","- C136 H92 N4 O4 S4 -","4","1","","Zheng, Kaibo; Wu, Wenlin; Yang, Xueer; Yan, Jiaying; Zhang, Nuonuo; Fang, Mingyue; Han, Fei","Effect of bridge units on the photophysical properties of tetraphenylethene-benzothiazole hybrid AIEgens with high-contrast mechanofluorochromic behaviour","CrystEngComm","2025","27","39","6502","6507","10.1039/D5CE00574D","","x-ray","1.54184","CuKα","","0.1147","0.1133","","","0.2698","0.2722","","","","","","1.339","","","","has coordinates","303695","2025-11-29","19:11:00",""
"7250827","8.921","0.0003","9.4764","0.0003","16.5104","0.0005","94.16","0.002","92.552","0.002","94.443","0.002","1386.15","0.08","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H23 N3 S -","- C37 H23 N3 S -","- C74 H46 N6 S2 -","2","1","","Zheng, Kaibo; Wu, Wenlin; Yang, Xueer; Yan, Jiaying; Zhang, Nuonuo; Fang, Mingyue; Han, Fei","Effect of bridge units on the photophysical properties of tetraphenylethene-benzothiazole hybrid AIEgens with high-contrast mechanofluorochromic behaviour","CrystEngComm","2025","27","39","6502","6507","10.1039/D5CE00574D","","x-ray","1.54184","CuKα","","0.0643","0.0557","","","0.1495","0.1562","","","","","","1.06","","","","has coordinates","303695","2025-11-29","19:11:00",""
"7250845","12.7086","0.0006","34.9069","0.0014","18.9598","0.0006","90","","96.151","0.004","90","","8362.5","0.6","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H71 Cl3 Co2 F24 N8 O18 -","- C62 H71 Cl3 Co2 F24 N8 O18 -","- C248 H284 Cl12 Co8 F96 N32 O72 -","4","1","","Spinu, Cristian Andrei; Novitchi, Ghenadie; Hillebrand, Mihaela; Mocanu, Teodora; Ionita, Gabriela; Hanganu, Anamaria; Tecuceanu, Victoriţa; Andruh, Marius","Design of a new nitronyl-nitroxide biradical and its complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2025","27","39","6462","6472","10.1039/D5CE00795J","","x-ray","0.71073","MoKα","","0.1117","0.0775","","","0.2323","0.2637","","","","","","1.044","","","","has coordinates,has disorder","303694","2025-11-29","19:10:46",""
"7250846","8.4632","0.001","9.8218","0.0014","10.1702","0.0014","101.627","0.012","93.54","0.01","90.027","0.011","826.39","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N2 O8 -","- C17 H14 N2 O8 -","- C34 H28 N4 O16 -","2","1","","Spinu, Cristian Andrei; Novitchi, Ghenadie; Hillebrand, Mihaela; Mocanu, Teodora; Ionita, Gabriela; Hanganu, Anamaria; Tecuceanu, Victoriţa; Andruh, Marius","Design of a new nitronyl-nitroxide biradical and its complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2025","27","39","6462","6472","10.1039/D5CE00795J","","x-ray","0.71073","MoKα","","0.1059","0.0789","","","0.2409","0.2659","","","","","","1.075","","","","has coordinates,has disorder","303694","2025-11-29","19:10:46",""
"7250847","12.6913","0.0009","34.918","0.0019","18.906","0.0008","90","","95.976","0.005","90","","8332.8","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H71 Cl3 F24 N8 Ni2 O18 -","- C62 H71 Cl3 F24 N8 Ni2 O18 -","- C248 H284 Cl12 F96 N32 Ni8 O72 -","4","1","","Spinu, Cristian Andrei; Novitchi, Ghenadie; Hillebrand, Mihaela; Mocanu, Teodora; Ionita, Gabriela; Hanganu, Anamaria; Tecuceanu, Victoriţa; Andruh, Marius","Design of a new nitronyl-nitroxide biradical and its complexes: synthesis, crystal structures and magnetic properties","CrystEngComm","2025","27","39","6462","6472","10.1039/D5CE00795J","","x-ray","0.71073","MoKα","","0.1423","0.0716","","","0.1893","0.2311","","","","","","1.02","","","","has coordinates,has disorder","303694","2025-11-29","19:10:46",""
"7250852","10.118","0.002","12.748","0.003","10.628","0.002","90","","93.894","0.006","90","","1367.7","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H7 I4 N Te -","- C6 H7 I4 N Te -","- C24 H28 I16 N4 Te4 -","4","1","","Saini, Aarti; Bhedi, Dharmveer; Thirumoorthi, Ramalingam","Novel supramolecular structures constructed through hydrogen bonding (E–H⋯Cl; E = C, N, and O) and/or halogen–halogen interactions in the products of reactions of 2-[(trimethylsilyl)methyl]pyridine with TeCl4 or TeI4","CrystEngComm","2025","27","38","6373","6380","10.1039/D5CE00646E","","","0.71073","MoKα","","0.0503","0.0348","","","0.0726","0.0795","","","","","","1.128","","","","has coordinates","302592","2025-10-06","08:34:32",""
"7250853","10.386","0.002","11.375","0.002","12.532","0.003","90","","101.156","0.006","90","","1452.6","0.5","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H32 Cl6 N2 Si2 Te -","- C18 H32 Cl6 N2 Si2 Te -","- C36 H64 Cl12 N4 Si4 Te2 -","2","0.5","","Saini, Aarti; Bhedi, Dharmveer; Thirumoorthi, Ramalingam","Novel supramolecular structures constructed through hydrogen bonding (E–H⋯Cl; E = C, N, and O) and/or halogen–halogen interactions in the products of reactions of 2-[(trimethylsilyl)methyl]pyridine with TeCl4 or TeI4","CrystEngComm","2025","27","38","6373","6380","10.1039/D5CE00646E","","","0.71073","MoKα","","0.0623","0.039","","","0.0808","0.0947","","","","","","1.067","","","","has coordinates","302592","2025-10-06","08:34:32",""
"7250854","7.0094","0.0002","8.4902","0.0002","15.6462","0.0004","88.97","0.001","86.6","0.001","81.048","0.001","918.13","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H17 Cl5 N2 O Te -","- C12 H17 Cl5 N2 O Te -","- C24 H34 Cl10 N4 O2 Te2 -","2","1","","Saini, Aarti; Bhedi, Dharmveer; Thirumoorthi, Ramalingam","Novel supramolecular structures constructed through hydrogen bonding (E–H⋯Cl; E = C, N, and O) and/or halogen–halogen interactions in the products of reactions of 2-[(trimethylsilyl)methyl]pyridine with TeCl4 or TeI4","CrystEngComm","2025","27","38","6373","6380","10.1039/D5CE00646E","","","0.71073","MoKα","","0.0235","0.0202","","","0.0434","0.0452","","","","","","1.089","","","","has coordinates","302592","2025-10-06","08:34:32",""
"7250863","5.9429","0.0004","11.8071","0.0008","18.0729","0.0012","90","","90","","90","","1268.15","0.15","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C48 H60 N4 O20 -","4","1","","Karthick, Subramani; Li, Bing-Xiang; Sridhar, Balasubramanian; Aya, Satoshi; Brahadeeswaran, Srinivasan","Pyrrolidin-1-ium-2-carboxylate·4-hydroxybenzoic acid co-crystal: a novel phase-matchable acentric organic material for efficient second-harmonic generation","CrystEngComm","2025","27","39","6449","6461","10.1039/D5CE00721F","","","0.71073","MoKα","","0.0687","0.0649","","","0.1485","0.1504","","","","","","1.243","","","","has coordinates","303693","2025-11-29","19:10:34",""
"7250867","7.5797","0.0004","5.9809","0.0004","52.204","0.003","90","","91.697","0.004","90","","2365.5","0.2","298","","298","","","","","","","","","3","P 1 2 1","P 2y","3","","","","- C14 H9 I -","- C14 H9 I -","- C112 H72 I8 -","8","4","","Morita, Masato; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki","Interplay of C–H⋯F and halogen bonding interactions for tunable room-temperature phosphorescence in iododiphenylacetylene systems","CrystEngComm","2025","27","41","6735","6741","10.1039/D5CE00690B","","x-ray","0.71073","MoKα","","0.0894","0.0651","","","0.1826","0.199","","","","","","1.033","","","","has coordinates","303680","2025-11-29","19:05:14",""
"7250868","6.1455","0.0002","7.4012","0.0003","28.5289","0.0011","90","","90","","90","","1297.61","0.08","299","","299","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 I O -","- C15 H11 I O -","- C60 H44 I4 O4 -","4","1","","Morita, Masato; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki","Interplay of C–H⋯F and halogen bonding interactions for tunable room-temperature phosphorescence in iododiphenylacetylene systems","CrystEngComm","2025","27","41","6735","6741","10.1039/D5CE00690B","","x-ray","0.71073","MoKα","","0.0289","0.0249","","","0.064","0.0662","","","","","","1.05","","","","has coordinates","303680","2025-11-29","19:05:14",""
"7250869","12.9207","0.0009","5.0801","0.0004","19.1219","0.0011","90","","94.046","0.006","90","","1252","0.15","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H5 F4 I -","- C14 H5 F4 I -","- C56 H20 F16 I4 -","4","1","","Morita, Masato; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki","Interplay of C–H⋯F and halogen bonding interactions for tunable room-temperature phosphorescence in iododiphenylacetylene systems","CrystEngComm","2025","27","41","6735","6741","10.1039/D5CE00690B","","x-ray","0.71073","MoKα","","0.0496","0.0349","","","0.0888","0.0961","","","","","","1.06","","","","has coordinates","303680","2025-11-29","19:05:14",""
"7250870","15.239","0.003","15.239","0.003","22.553","0.005","90","","90","","90","","5237.4","1.9","296.15","","296.15","","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C45 H68 Co N O16 -","- C33 H20 Co N O4 -","- C132 H80 Co4 N4 O16 -","4","0.25","","Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin","Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks","CrystEngComm","2025","27","42","6894","6904","10.1039/D5CE00801H","","","0.71073","MoKα","","0.1152","0.0863","","","0.189","0.2028","","","","","","0.977","","","","has coordinates","303689","2025-11-29","19:09:25",""
"7250871","15.243","0.002","15.243","0.002","45.096","0.007","90","","90","","90","","10478","3","296.15","","296.15","","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C82 H77 Co2 N2 O16 -","- C74 H45 Co2 N2 O8 -","- C296 H180 Co8 N8 O32 -","4","0.25","","Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin","Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks","CrystEngComm","2025","27","42","6894","6904","10.1039/D5CE00801H","","","0.71073","MoKα","","0.1747","0.1285","","","0.2556","0.28","","","","","","1.084","","","","has coordinates,has disorder","303689","2025-11-29","19:09:25",""
"7250872","57.238","0.002","19.7412","0.0009","23.0425","0.0009","90","","109.198","0.002","90","","24588.8","1.7","273.15","","273.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C123 H109 Co3 N9 O18 -","- C108 H74 Co3 N4 O13 -","- C864 H592 Co24 N32 O104 -","8","1","","Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin","Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks","CrystEngComm","2025","27","42","6894","6904","10.1039/D5CE00801H","","","1.54178","CuKα","","0.1573","0.1022","","","0.192","0.2108","","","","","","1.069","","","","has coordinates","303689","2025-11-29","19:09:25",""
"7250873","57.02","0.03","20.59","0.008","22.286","0.013","90","","108.37","0.03","90","","24831","2","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C144 H135 Co3 N12 O21 -","- C117 H72 Co3 N3 O12 -","- C936 H576 Co24 N24 O96 -","8","1","","Shi, Huatian; Liao, Yuluan; Li, Lianxiang; Sun, Po; wei, Xianwen; Yu, Weibin","Synergistic ligand–guest engineering for topological and functional control in cobalt(ii)-based metal–organic frameworks","CrystEngComm","2025","27","42","6894","6904","10.1039/D5CE00801H","","","1.54184","CuKα","","0.1946","0.1384","","","0.2713","0.2967","","","","","","1.093","","","","has coordinates","303689","2025-11-29","19:09:25",""
"7250874","8.2","0.003","18.575","0.008","18.646","0.008","104.466","0.015","93.783","0.017","90.299","0.016","2743","2","300","2","300","","","","","","","","","4","P -1","-P 1","2","","","","- C62 H44 F12 N4 -","- C62 H44 F12 N4 -","- C124 H88 F24 N8 -","2","1","","Tang, Baolei; Yang, Xuesong; Chen, Donghe; Hu, Hanlin; Zhang, Hongyu","Reversible mechanochromism and polarization modulation in an elastic organic crystal","CrystEngComm","2025","27","40","6606","6610","10.1039/D5CE00768B","","","0.71073","MoKα","","0.2125","0.1049","","","0.2421","0.3004","","","","","","1.019","","","","has coordinates","303705","2025-11-29","19:15:19",""
"7250875","5.0698","0.0008","14.565","0.002","14.099","0.002","90","","97.056","0.014","90","","1033.2","0.3","85","0.5","85","0.5","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H11 B F4 N2 O2 -","- C8 H11 B F4 N2 O2 -","- C32 H44 B4 F16 N8 O8 -","4","2","","Wojtaś, Maciej; Gągor, Anna; Bdikin, Igor; Kopyl, Svitlana","Crystal structure and piezoelectric properties of the final member of the pyridylalanine derivative series: [H-β-(3-pyridyl)-Ala-OH][BF4]","CrystEngComm","2025","27","40","6679","6686","10.1039/D5CE00693G","","x-ray","0.71073","MoKα","","0.2294","0.0944","","","0.175","0.2424","","","","","","0.972","","","","has coordinates","303706","2025-11-29","19:15:27",""
"7250876","12.0693","0.0002","13.86","0.0002","16.1859","0.0003","111.705","0.002","96.855","0.002","111.816","0.002","2229.56","0.09","193","2","193","","","","","","","","","8","P 1","P 1","1","","","","- C48 H72 Co2 N18 O51 P V0.5 W11.5 -","- C48 H58 Co2 N18 O50 P V0.422 W11.578 -","- C48 H58 Co2 N18 O50 P V0.422 W11.578 -","1","1","","Zhu, Yin-Hua; Yang, Jian-Bo; Zhou, Jiu Lin; Ji, Yong-Qi; Mei, Hua; Xu, Yan","Chiral chlorophyll-inspired clusters steering electron transfer for enhanced CO2 photoreduction","Green Chemistry","2025","27","40","12778","12784","10.1039/D5GC03034J","","","0.71073","MoKα","","0.0486","0.0437","","","0.111","0.1136","","","","","","1.018","","","","has coordinates,has disorder","303841","2025-11-29","21:27:33",""
"7250878","10.88688","0.00014","10.93543","0.00016","15.2453","0.0002","83.732","0.0012","85.3678","0.0011","84.0042","0.0011","1789.85","0.04","100","0.1","100.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H38 Ce2 O31 -","- C18 H38 Ce2 O31 -","- C36 H76 Ce4 O62 -","2","1","","Das, Satarupa; Tidey, Jeremiah P.; Liu, Jie; Pickering, Katie S.; Coe, James C.; Walker, Marc; Walton, Richard I.","Solvent induced structural transformation of a cerium(iii) 2,5-furandicarboxylate metal–organic framework","CrystEngComm","2025","27","41","6797","6804","10.1039/D5CE00689A","","","0.71073","MoKα","","0.0237","0.0216","","","0.0488","0.0495","","","","","","1.146","","","","has coordinates,has disorder","303678","2025-11-29","19:04:51",""
"7250879","14.8474","0.0014","26.6474","0.0018","17.9757","0.0011","90","","112.784","0.01","90","","6557","1","175","5","175","5","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52.989 H46.307 Ce4 N4.33 O37.33 -","- C52.99 H46.31 Ce4 N4.33 O37.33 -","- C211.96 H185.24 Ce16 N17.32 O149.32 -","4","1","","Das, Satarupa; Tidey, Jeremiah P.; Liu, Jie; Pickering, Katie S.; Coe, James C.; Walker, Marc; Walton, Richard I.","Solvent induced structural transformation of a cerium(iii) 2,5-furandicarboxylate metal–organic framework","CrystEngComm","2025","27","41","6797","6804","10.1039/D5CE00689A","","electron","0.0251","electron","","0.2814","0.2279","","","0.4378","0.4688","","","","","","1.0456","","","","has coordinates,has disorder","303678","2025-11-29","19:04:51",""
"7250880","20.5871","0.0011","12.3929","0.0007","21.3684","0.0014","90","","112.548","0.002","90","","5035.1","0.5","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H48 Au4 N4 S4 -","- C52 H48 Au4 N4 S4 -","- C208 H192 Au16 N16 S16 -","4","1","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0311","0.0239","","","0.044","0.046","","","","","","1.036","","","","has coordinates,has disorder","303686","2025-11-29","19:08:13",""
"7250881","31.221","","31.221","","8.542","","90","","90","","120","","7210.81","","150","","150","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C17 H14 Au N S -","- C17 H14 Au N S -","- C306 H252 Au18 N18 S18 -","18","1","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.157","0.1","","","0.2146","0.2354","","","","","","1.073","","","","has coordinates","303686","2025-11-29","19:08:13",""
"7250882","11.3366","0.0004","18.9708","0.0007","12.8686","0.0004","90","","110.132","0.001","90","","2598.48","0.16","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Au N -","- C15 H14 Au N -","- C120 H112 Au8 N8 -","8","2","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0219","0.0187","","","0.0418","0.0429","","","","","","1.047","","","","has coordinates","303686","2025-11-29","19:08:13",""
"7250883","10.1311","0.0005","11.8564","0.0006","17.3656","0.0008","100.14","0.002","98.615","0.002","101.681","0.002","1973.27","0.17","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 Au N -","- C15 H14 Au N -","- C90 H84 Au6 N6 -","6","3","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0516","0.0412","","","0.1101","0.116","","","","","","1.016","","","","has coordinates","303686","2025-11-29","19:08:13",""
"7250884","7.708","0.003","19.172","0.005","10.066","0.002","90","","93.112","0.011","90","","1485.3","0.8","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 Au N S -","- C17 H14 Au N S -","- C68 H56 Au4 N4 S4 -","4","1","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0322","0.0287","","","0.0713","0.0729","","","","","","1.043","","","","has coordinates,has disorder","303686","2025-11-29","19:08:13",""
"7250885","11.8718","0.0006","20.3094","0.001","15.884","0.0008","90","","99.929","0.002","90","","3772.4","0.3","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 Au N S -","- C13 H12 Au N S -","- C156 H144 Au12 N12 S12 -","12","3","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0602","0.0517","","","0.1339","0.1403","","","","","","1.045","","","","has coordinates,has disorder","303686","2025-11-29","19:08:13",""
"7250886","9.9569","0.0002","11.6078","0.0003","17.3895","0.0004","100.341","0.001","97.326","0.001","103.953","0.001","1887.9","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H36 Au3 N3 S3 -","- C39 H36 Au3 N3 S3 -","- C78 H72 Au6 N6 S6 -","2","1","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0302","0.0233","","","0.0432","0.0452","","","","","","1.045","","","","has coordinates,has disorder","303686","2025-11-29","19:08:13",""
"7250887","9.081","0.002","17.316","0.004","18.171","0.004","114.577","0.009","98.055","0.01","102.895","0.01","2443.9","1","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Au N S2 -","- C17 H14 Au N S2 -","- C102 H84 Au6 N6 S12 -","6","3","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.1048","0.0906","","","0.2399","0.2486","","","","","","1.108","","","","has coordinates,has disorder","303686","2025-11-29","19:08:13",""
"7250888","11.0862","0.0013","14.95","0.003","15.372","0.003","64.989","0.009","80.55","0.009","79.057","0.008","2256.7","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C51 H42 Au3 N3 S3 -","- C51 H42 Au3 N3 S3 -","- C102 H84 Au6 N6 S6 -","2","1","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0684","0.063","","","0.1473","0.1505","","","","","","1.143","","","","has coordinates,has disorder","303686","2025-11-29","19:08:13",""
"7250889","11.6478","0.0005","21.7736","0.0008","25.2892","0.001","113.938","0.001","100.457","0.002","90.668","0.002","5738.7","0.4","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H12 Au N S -","- C13 H12 Au N S -","- C234 H216 Au18 N18 S18 -","18","9","","Pavlov, Kirill G.; Grudova, Mariya R.; Kubasov, Alexey S.; Khrustalev, Victor N.; Kritchenkov, Ilia S.; Gomila, Rosa M.; Frontera, Antonio; Tskhovrebov, Alexander G.","Thiophenyl and benzothiophenyl gold isocyanide complexes: synthesis, structures, and aurophilic and gold-involving chalcogen bonding interactions","CrystEngComm","2025","27","43","7021","7031","10.1039/D5CE00724K","","","0.71073","MoKα","","0.0627","0.0529","","","0.1239","0.1291","","","","","","1.044","","","","has coordinates,has disorder","303686","2025-11-29","19:08:13",""
"7250896","6.645","0.004","11.421","0.007","15.338","0.009","80.34","0.02","82.07","0.02","88.74","0.02","1136.6","1.2","213","","213","","","","","","","","","3","P -1","-P 1","2","","","","- C48 H26 N8 -","- C48 H26 N8 -","- C48 H26 N8 -","1","0.5","","Bandaru, Rohith Phaneendra; Jami, Ananda Kumar; Tripuramallu, Bharat Kumar","Self-assembly of tin(iv) cyanophenyl porphyrins into hydrogen-bonded frameworks reinforced by halogen bonding: synthesis, structure and computational perspectives","CrystEngComm","2025","27","43","7081","7093","10.1039/D5CE00731C","","","0.71073","MoKα","","0.1272","0.0978","","","0.2282","0.247","","","","","","1.0528","","","","has coordinates","303683","2025-11-29","19:06:46",""
"7250897","14.5583","0.0009","14.6841","0.0011","16.1918","0.0013","68.874","0.003","70.185","0.003","62.069","0.003","2791.2","0.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C63 H39 I2 N9 O3 Sn -","- C63 H39 I2 N9 O3 Sn -","- C126 H78 I4 N18 O6 Sn2 -","2","1","","Bandaru, Rohith Phaneendra; Jami, Ananda Kumar; Tripuramallu, Bharat Kumar","Self-assembly of tin(iv) cyanophenyl porphyrins into hydrogen-bonded frameworks reinforced by halogen bonding: synthesis, structure and computational perspectives","CrystEngComm","2025","27","43","7081","7093","10.1039/D5CE00731C","","","0.71073","MoKα","","0.0656","0.0488","","","0.1233","0.1379","","","","","","1.039","","","","has coordinates","303683","2025-11-29","19:06:46",""
"7250898","7.719","0.0005","12.2333","0.0009","17.0991","0.0013","73.879","0.003","80.487","0.003","75.715","0.003","1495.05","0.19","110.15","","110.15","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H46 I2 N10 O6 Sn -","- C68 H46 I2 N10 O6 Sn -","- C68 H46 I2 N10 O6 Sn -","1","0.5","","Bandaru, Rohith Phaneendra; Jami, Ananda Kumar; Tripuramallu, Bharat Kumar","Self-assembly of tin(iv) cyanophenyl porphyrins into hydrogen-bonded frameworks reinforced by halogen bonding: synthesis, structure and computational perspectives","CrystEngComm","2025","27","43","7081","7093","10.1039/D5CE00731C","","","0.71073","MoKα","","0.0856","0.0659","","","0.1577","0.1679","","","","","","1.042","","","","has coordinates","303683","2025-11-29","19:06:46",""
"7250899","8.0401","0.0007","3.8577","0.0004","11.7923","0.001","90","","90.148","0.003","90","","365.75","0.06","296","2","296","2","","","","","","","","4","P 1 c 1","P -2yc","7","pFBA","4 Formamidobenzoic acid","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C16 H14 N2 O6 -","2","1","","Mathew, Ansu; Karuppannan, Srinivasan","Influence of degraded 1,4-dioxane on the formylation of para-aminobenzoic acid: a pathway to the reactive crystallization of para-formamidobenzoic acid","CrystEngComm","2025","27","43","7071","7080","10.1039/D5CE00628G","","","0.71073","MoKα","","0.0372","0.0318","","","0.0725","0.0749","","","","","","1.064","","","","has coordinates","303687","2025-11-29","19:08:33",""
"7250903","7.6889","0.0006","11.4309","0.0009","30.912","0.002","90","","94.589","0.006","90","","2708.2","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-1-(2-hidroxyphenyl)-3-[(4-trifluormethyl) phenyl]prop-2-en-1-one","","- C16 H11 F3 O2 -","- C16 H11 F3 O2 -","- C128 H88 F24 O16 -","8","2","","Cassará, María Lucrecia Arias; Pérez, Hiram; Davies, Lilian E.; Echeverría, Gustavo A.; Piro, Oscar E.; Gil, Diego M.","Deciphering weak hydrogen bonds, halogen bonds, and π-stacking interactions in two fluorinated 2′-hydroxychalcones: insights from experimental and theoretical analysis","CrystEngComm","2025","27","41","6781","6796","10.1039/D5CE00793C","","x-ray","0.71073","MoKα","","0.1623","0.0915","","","0.3229","0.3446","","","","","","1.09","","","","has coordinates","303679","2025-11-29","19:05:03",""
"7250904","7.1384","0.0005","12.7929","0.0008","12.9301","0.001","90","","90","","90","","1180.79","0.14","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-3-(4-fluorophenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one","","- C15 H11 F O2 -","- C15 H11 F O2 -","- C60 H44 F4 O8 -","4","1","","Cassará, María Lucrecia Arias; Pérez, Hiram; Davies, Lilian E.; Echeverría, Gustavo A.; Piro, Oscar E.; Gil, Diego M.","Deciphering weak hydrogen bonds, halogen bonds, and π-stacking interactions in two fluorinated 2′-hydroxychalcones: insights from experimental and theoretical analysis","CrystEngComm","2025","27","41","6781","6796","10.1039/D5CE00793C","","x-ray","0.71073","MoKα","","0.0695","0.0435","","","0.0909","0.1059","","","","","","1.022","","","","has coordinates","303679","2025-11-29","19:05:03",""
"7250905","6.5946","0.001","6.5775","0.0011","9.962","0.003","90","","98.763","0.018","90","","427.07","0.16","100","2","100","2","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C2 H8 F2 N O4 P Zr -","- C2 H8 F2 N O4 P Zr -","- C4 H16 F4 N2 O8 P2 Zr2 -","2","0.5","","Chen, Ziyuan; Liu, Shuzhen; Li, Shuangjiang; Chen, Zhihua; Yang, Lu; Zhang, Shengmao; Sun, Haiyan; Feng, Meiling; Huang, Xiaoying","Efficient capture of Sr2+ ions by a layered crystalline zirconium phosphate fluoride","CrystEngComm","2025","27","43","7063","7070","10.1039/D5CE00784D","","","0.71073","MoKα","","0.0714","0.0559","","","0.133","0.1477","","","","","","1.097","","","","has coordinates,has disorder","303681","2025-11-29","19:05:33",""
"7250918","11.6446","0.0013","9.385","0.0012","10.0559","0.0014","90","","98.075","0.008","90","","1088.1","0.2","296.15","0.1","296.15","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C48 H60 N4 O8 -","4","1","","Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng","An unconventional photochemical amide synthesis from excited-state nitroarenes","Green Chemistry","2025","27","42","13427","13435","10.1039/D5GC03649F","","x-ray","0.71073","MoKα","","0.1674","0.0632","","","0.1197","0.1601","","","","","","1.014","","","","has coordinates","303838","2025-11-29","21:26:49",""
"7250919","11.6455","0.0011","9.2112","0.0008","18.6069","0.0017","90","","90","","90","","1995.9","0.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H13 N O2 -","- C11 H13 N O2 -","- C88 H104 N8 O16 -","8","1","","Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng","An unconventional photochemical amide synthesis from excited-state nitroarenes","Green Chemistry","2025","27","42","13427","13435","10.1039/D5GC03649F","","","0.71073","MoKα","","0.0527","0.0432","","","0.1162","0.1256","","","","","","1.04","","","","has coordinates","303838","2025-11-29","21:26:49",""
"7250920","9.9637","0.0016","5.741","0.0009","15.679","0.002","90","","90","","90","","896.9","0.2","296.15","0.1","296.15","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng","An unconventional photochemical amide synthesis from excited-state nitroarenes","Green Chemistry","2025","27","42","13427","13435","10.1039/D5GC03649F","","x-ray","0.71073","MoKα","","0.0338","0.0301","","","0.0735","0.0762","","","","","","1.057","","","","has coordinates","303838","2025-11-29","21:26:49",""
"7250921","7.314","0.006","12.846","0.009","10.041","0.008","90","","92.34","0.02","90","","942.6","1.3","296.15","","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng","An unconventional photochemical amide synthesis from excited-state nitroarenes","Green Chemistry","2025","27","42","13427","13435","10.1039/D5GC03649F","","x-ray","0.71073","MoKα","","0.1526","0.0625","","","0.1474","0.2066","","","","","","1.013","","","","has coordinates","303838","2025-11-29","21:26:49",""
"7250922","5.158","0.004","16.263","0.013","11.109","0.01","90","","99.35","0.06","90","","919.5","1.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N O3 -","- C10 H7 N O3 -","- C40 H28 N4 O12 -","4","1","","Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng","An unconventional photochemical amide synthesis from excited-state nitroarenes","Green Chemistry","2025","27","42","13427","13435","10.1039/D5GC03649F","","","0.71073","MoKα","","0.1516","0.0944","","","0.259","0.2929","","","","","","1.69","","","","has coordinates","303838","2025-11-29","21:26:49",""
"7250923","7.4227","0.0011","6.7898","0.0011","18.749","0.003","90","","90","","90","","944.9","0.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C10 H10 F N O2 -","- C10 H10 F N O2 -","- C40 H40 F4 N4 O8 -","4","0.5","","Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng","An unconventional photochemical amide synthesis from excited-state nitroarenes","Green Chemistry","2025","27","42","13427","13435","10.1039/D5GC03649F","","x-ray","0.71073","MoKα","","0.0834","0.0572","","","0.14","0.1552","","","","","","1.026","","","","has coordinates","303838","2025-11-29","21:26:49",""
"7250924","7.4116","0.0002","12.5682","0.0004","12.6455","0.0004","90","","92.181","0.002","90","","1177.08","0.06","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C56 H52 N4 O8 -","4","1","","Wang, Zengping; Zhai, Xiaofang; Bai, Pengtao; Fang, Li; Zheng, Shaojun; Zhao, Jiajia; Yang, Fu; Xu, Chen; Song, Heng","An unconventional photochemical amide synthesis from excited-state nitroarenes","Green Chemistry","2025","27","42","13427","13435","10.1039/D5GC03649F","","x-ray","0.71073","MoKα","","0.0618","0.0434","","","0.109","0.1206","","","","","","1.039","","","","has coordinates","303838","2025-11-29","21:26:49",""
"7250929","10.4787","0.0005","10.9459","0.0005","12.6061","0.0007","104.133","0.002","108.619","0.002","97.17","0.002","1296.01","0.12","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Huang, Long; Zhang, Qian; Zhang, Yang-Lu; Cai, Meng-Tan; Shi, Le; Yang, Jiong; Shao, Dong","Controlling topological diversity and magnetic properties in three Tb(iii) metal–organic frameworks through amide ligand variation","CrystEngComm","2025","27","44","7228","7236","10.1039/D5CE00881F","","x-ray","0.71073","MoKα","","0.0313","0.0272","","","0.0619","0.0637","","","","","","1.068","","","","has coordinates,has disorder","303676","2025-11-29","19:03:51",""
"7250930","27.737","0.008","10.588","0.003","22.263","0.006","90","","99.577","0.011","90","","6447","3","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H31.4 N2 O12.7 Tb -","- C22 H28 N2 O11 Tb -","- C176 H224 N16 O88 Tb8 -","8","1","","Huang, Long; Zhang, Qian; Zhang, Yang-Lu; Cai, Meng-Tan; Shi, Le; Yang, Jiong; Shao, Dong","Controlling topological diversity and magnetic properties in three Tb(iii) metal–organic frameworks through amide ligand variation","CrystEngComm","2025","27","44","7228","7236","10.1039/D5CE00881F","","x-ray","0.71073","MoKα","","0.0771","0.0652","","","0.1532","0.1589","","","","","","1.177","","","","has coordinates,has disorder","303676","2025-11-29","19:03:51",""
"7250931","11.2214","0.001","14.5112","0.0011","18.8206","0.0018","94.384","0.003","106.455","0.003","110.71","0.003","2695.4","0.4","289","2","289","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H61 N5 O25 Tb2 -","- C44 H61 N5 O25 Tb2 -","- C88 H122 N10 O50 Tb4 -","2","1","","Huang, Long; Zhang, Qian; Zhang, Yang-Lu; Cai, Meng-Tan; Shi, Le; Yang, Jiong; Shao, Dong","Controlling topological diversity and magnetic properties in three Tb(iii) metal–organic frameworks through amide ligand variation","CrystEngComm","2025","27","44","7228","7236","10.1039/D5CE00881F","","x-ray","0.71073","MoKα","","0.082","0.0711","","","0.1969","0.2037","","","","","","1.065","","","","has coordinates,has disorder","303676","2025-11-29","19:03:51",""
"7250932","17.0372","0.0003","17.9771","0.0004","21.5515","0.0004","90","","90","","90","","6600.8","0.2","291","2","291","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H67 N4 O8 Tb -","- C73 H67 N4 O8 Tb -","- C292 H268 N16 O32 Tb4 -","4","1","","Wang, Taoyu; Peng, Yanhong; Wang, Yang; Gao, Congli; Li, Xi-Li","Impact of nuclear number on SHG and THG performances: a comparative study of chiral mono- and dinuclear TbIII complexes with identical organic ligands","CrystEngComm","2025","27","44","7213","7218","10.1039/D5CE00697J","","","0.71073","MoKα","","0.0627","0.0411","","","0.0897","0.0922","","","","","","1.001","","","","has coordinates","303677","2025-11-29","19:04:05",""
"7250933","13.8331","0.0012","20.3348","0.0013","20.2449","0.0012","90","","97.612","0.013","90","","5644.6","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C118 H104 N4 O16 Tb2 -","- C118 H104 N4 O16 Tb2 -","- C236 H208 N8 O32 Tb4 -","2","1","","Wang, Taoyu; Peng, Yanhong; Wang, Yang; Gao, Congli; Li, Xi-Li","Impact of nuclear number on SHG and THG performances: a comparative study of chiral mono- and dinuclear TbIII complexes with identical organic ligands","CrystEngComm","2025","27","44","7213","7218","10.1039/D5CE00697J","","","0.71073","MoKα","","0.0545","0.0466","","","0.1033","0.1057","","","","","","1.097","","","","has coordinates","303677","2025-11-29","19:04:05",""
"7250934","16.5689","0.0009","9.407","0.0004","17.1548","0.0011","90","","108.421","0.007","90","","2536.8","0.3","343.01","0.1","343.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(PrMeNC4H8)2[ZnBr4]","","- C16 H36 Br4 N2 Zn -","- C16 H36 Br4 N2 Zn -","- C64 H144 Br16 N8 Zn4 -","4","1","","Wang, Lei; Hu, Wei-Yu; Zhou, Hua-Qing; Li, Wang; Zhang, Shi-Yong; Wang, Zhong-Xia","Thermal responsive cation flipping and dielectric constant in an organic–inorganic hybrid crystal","CrystEngComm","2025","27","44","7170","7177","10.1039/D5CE00814J","","x-ray","1.54184","CuKα","","0.1232","0.0721","","","0.2238","0.2747","","","","","","0.983","","","","has coordinates,has disorder","303672","2025-11-29","19:02:07",""
"7250935","16.12","0.004","9.3802","0.0006","17.127","0.002","90","","109.239","0.019","90","","2445.1","0.7","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(PrMeNC4H8)2[ZnBr4]","","- C16 H36 Br4 N2 Zn -","- C15.9993 H35.9985 Br4 N2 Zn -","- C63.9972 H143.994 Br16 N8 Zn4 -","4","1","","Wang, Lei; Hu, Wei-Yu; Zhou, Hua-Qing; Li, Wang; Zhang, Shi-Yong; Wang, Zhong-Xia","Thermal responsive cation flipping and dielectric constant in an organic–inorganic hybrid crystal","CrystEngComm","2025","27","44","7170","7177","10.1039/D5CE00814J","","","1.54178","CuKα","","0.0848","0.0613","","","0.1731","0.191","","","","","","1.071","","","","has coordinates,has disorder","303672","2025-11-29","19:02:07",""
"7250936","15.9088","0.0003","9.2491","0.0001","17.0343","0.0003","90","","109.705","0.002","90","","2359.69","0.07","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(PrMeNC4H8)2[ZnBr4]","","- C16 H36 Br4 N2 Zn -","- C16 H36 Br4 N2 Zn -","- C64 H144 Br16 N8 Zn4 -","4","1","","Wang, Lei; Hu, Wei-Yu; Zhou, Hua-Qing; Li, Wang; Zhang, Shi-Yong; Wang, Zhong-Xia","Thermal responsive cation flipping and dielectric constant in an organic–inorganic hybrid crystal","CrystEngComm","2025","27","44","7170","7177","10.1039/D5CE00814J","","","1.54184","CuKα","","0.0623","0.0576","","","0.1586","0.1616","","","","","","1.175","","","","has coordinates","303672","2025-11-29","19:02:07",""
"7250937","12.8121","0.0002","15.663","0.0002","20.3134","0.0004","90","","90","","90","","4076.41","0.11","298","1","298","1","","","","","","","","5","P n n a","-P 2a 2bc","52","ESRF-1","catena-[(m4-5,10,15,20-tetrakis(4-Pyridyl)porphyrin-N,N',N'',N''')-bis(chloro)-cadmium(ii)]","","- C40 H26 Cd Cl2 N8 -","- C40 H26 Cd Cl2 N8 -","- C160 H104 Cd4 Cl8 N32 -","4","0.5","","Ernst, Michelle; Poręba, Tomasz","Structural adaptation in a cadmium–porphyrin MOF through solvent-driven change of interpenetration","CrystEngComm","2025","27","43","7032","7037","10.1039/D5CE00815H","","x-ray","0.40988","synchrotron","","0.0739","0.0675","","","0.2276","0.2327","","","","","","1.129","","","","has coordinates,has disorder","303685","2025-11-29","19:07:50",""
"7250946","9.805","0.0017","10.4025","0.0018","10.8869","0.0019","78.332","0.005","85.743","0.006","88.576","0.005","1084.4","0.3","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Cl2 N2 O3 S -","- C23 H18 Cl2 N2 O3 S -","- C46 H36 Cl4 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0448","0.0408","","","0.0975","0.0999","","","","","","1.06","","","","has coordinates","303688","2025-11-29","19:08:48",""
"7250947","9.414","0.0019","10.97","0.002","20.797","0.004","90","","94.98","0.03","90","","2139.6","0.7","100","","100","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 Br Cl N2 O3 S -","- C23 H18 Br Cl N2 O3 S -","- C92 H72 Br4 Cl4 N8 O12 S4 -","4","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.7527","synchrotron","","0.0428","0.0349","","","0.0858","0.0908","","","","","","1.018","","","","has coordinates","303688","2025-11-29","19:08:48",""
"7250948","9.869","0.0006","10.478","0.0007","10.8827","0.0008","77.635","0.002","85.089","0.002","88.968","0.002","1095.21","0.13","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H18 Br Cl N2 O3 S -","- C23 H18 Br Cl N2 O3 S -","- C46 H36 Br2 Cl2 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0542","0.0371","","","0.0813","0.0867","","","","","","1.013","","","","has coordinates","303688","2025-11-29","19:08:48",""
"7250949","7.663","0.0004","10.8463","0.0006","13.3597","0.0007","105.308","0.002","93.899","0.002","91.273","0.002","1067.59","0.1","105","2","105","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Br2 N2 O3 S -","- C23 H18 Br2 N2 O3 S -","- C46 H36 Br4 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0401","0.0322","","","0.0843","0.0883","","","","","","1.049","","","","has coordinates","303688","2025-11-29","19:08:48",""
"7250950","9.9689","0.0016","10.4507","0.0015","10.9158","0.0019","77.441","0.007","85.094","0.007","88.691","0.007","1105.9","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Br2 N2 O3 S -","- C23 H18 Br2 N2 O3 S -","- C46 H36 Br4 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0423","0.0311","","","0.0832","0.0859","","","","","","1.017","","","","has coordinates","303688","2025-11-29","19:08:48",""
"7250951","9.8663","0.0008","10.374","0.0009","10.8917","0.0009","78.015","0.003","85.853","0.003","88.601","0.003","1087.59","0.16","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H18 Br Cl N2 O3 S -","- C23 H18 Br Cl N2 O3 S -","- C46 H36 Br2 Cl2 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0463","0.0363","","","0.0833","0.0871","","","","","","1.063","","","","has coordinates","303688","2025-11-29","19:08:48",""
"7250952","7.7322","0.001","11.5483","0.0014","12.9685","0.0016","74.852","0.004","85.203","0.004","73.512","0.004","1071.8","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H18 Br2 N2 O3 S -","- C23 H18 Br2 N2 O3 S -","- C46 H36 Br4 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0405","0.0301","","","0.0729","0.0767","","","","","","1.007","","","","has coordinates","303688","2025-11-29","19:08:48",""
"7250953","7.635","0.0004","10.878","0.0006","13.2457","0.0008","105.712","0.002","94.019","0.002","90.956","0.002","1055.66","0.1","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H18 Br Cl N2 O3 S -","- C23 H18 Br Cl N2 O3 S -","- C46 H36 Br2 Cl2 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0374","0.0307","","","0.0768","0.0798","","","","","","1.04","","","","has coordinates","303688","2025-11-29","19:08:48",""
"7250954","10.1225","0.0008","10.4444","0.0008","10.9523","0.0008","76.93","0.002","85.086","0.002","88.512","0.002","1123.75","0.15","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H18 Br I N2 O3 S -","- C23 H18 Br I N2 O3 S -","- C46 H36 Br2 I2 N4 O6 S2 -","2","1","","Mingazhetdinova, Dilyara O.; Nefedova, Anna A.; Kozhikhov, Andrey A.; Agarkov, Artem S.; Litvinov, Igor A.; Frantsuzova, Lubov V.; Islamov, Daut R.; Solovieva, Svetlana E.; Antipin, Igor S.","Supramolecular interplay: how non-covalent bonds affect the crystal packing of 2-arylmethylidenethiazolo[3,2-a]pyrimidines","CrystEngComm","2025","27","42","6884","6893","10.1039/D5CE00511F","","","0.71073","MoKα","","0.0423","0.0304","","","0.0792","0.084","","","","","","1.017","","","","has coordinates","303688","2025-11-29","19:08:48",""
"7250955","10.8473","0.0004","6.7443","0.0003","11.8655","0.0005","90","","95.9398","0.0013","90","","863.39","0.06","203","2","203","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H15 O15 S2 Y -","- C12 H15 O15 S2 Y -","- C24 H30 O30 S4 Y2 -","2","0.5","","Lee, Byoung Gwan; Kim, Dongwook; Bae, Jin Young; Jeong, Ji Woo; Lim, Dae-Woon","Coordinated water modulation for proton conductivity via post-synthetic transmetalation in yttrium-based coordination polymers","CrystEngComm","2025","27","36","5952","5958","10.1039/D5CE00639B","","","0.71073","MoKα","","0.0492","0.0337","","","0.0707","0.0837","","","","","","1.158","","","","has coordinates","302371","2025-10-04","13:53:40",""
"7250956","20.6899","0.0013","7.2134","0.0004","11.8766","0.0006","90","","93.194","0.002","90","","1769.76","0.17","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H9 K3 O12 S2 -","- C12 H9 K3 O12 S2 -","- C48 H36 K12 O48 S8 -","4","0.5","","Lee, Byoung Gwan; Kim, Dongwook; Bae, Jin Young; Jeong, Ji Woo; Lim, Dae-Woon","Coordinated water modulation for proton conductivity via post-synthetic transmetalation in yttrium-based coordination polymers","CrystEngComm","2025","27","36","5952","5958","10.1039/D5CE00639B","","","0.71073","MoKα","","0.0326","0.0291","","","0.0681","0.0705","","","","","","1.066","","","","has coordinates,has disorder","302371","2025-10-04","13:53:41",""
"7250959","14.6443","0.0013","16.4598","0.0015","16.4623","0.0015","100.736","0.005","114.653","0.004","97.526","0.005","3445.2","0.6","134","2","133.77","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H54 Co2 N6 O10 -","- C76 H54 Co2 N6 O10 -","- C152 H108 Co4 N12 O20 -","2","1","","Pal, Sujeet Kumar; Tiwari, Dhananjay; Mohan, Madan; Husain, Ahmad; Kharwar, Ajit Kumar","Regulating the structural dimensionality, gas sorption and magnetic behavior of Co(ii) coordination polymers","CrystEngComm","2025","27","45","7399","7407","10.1039/D5CE00809C","","","0.71073","MoKα","","0.1187","0.0647","","","0.1263","0.144","","","","","","1.017","","","","has coordinates,has disorder","303709","2025-11-29","19:17:11",""
"7250960","8.5731","0.0005","13.2356","0.0007","15.4444","0.0008","114.01","0.005","102.728","0.005","91.42","0.005","1548.58","0.17","176","100","176","100","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Co2 N3 O9 -","- C34 H33 Co2 N3 O9 -","- C68 H66 Co4 N6 O18 -","2","1","","Pal, Sujeet Kumar; Tiwari, Dhananjay; Mohan, Madan; Husain, Ahmad; Kharwar, Ajit Kumar","Regulating the structural dimensionality, gas sorption and magnetic behavior of Co(ii) coordination polymers","CrystEngComm","2025","27","45","7399","7407","10.1039/D5CE00809C","","x-ray","0.71073","MoKα","","0.1133","0.0884","","","0.2434","0.2605","","","","","","1.079","","","","has coordinates","303709","2025-11-29","19:17:11",""
"7250961","6.8851","0.0003","14.5259","0.0007","27.3637","0.0012","90","","94.163","0.005","90","","2729.5","0.2","293.15","","293.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C60 H50 Co4 N6 O18 -","- C60 H50 Co4 N6 O18 -","- C120 H100 Co8 N12 O36 -","2","0.5","","Pal, Sujeet Kumar; Tiwari, Dhananjay; Mohan, Madan; Husain, Ahmad; Kharwar, Ajit Kumar","Regulating the structural dimensionality, gas sorption and magnetic behavior of Co(ii) coordination polymers","CrystEngComm","2025","27","45","7399","7407","10.1039/D5CE00809C","","x-ray","0.71073","MoKα","","0.1477","0.0702","","","0.1505","0.1804","","","","","","1.147","","","","has coordinates","303709","2025-11-29","19:17:11",""
"7250962","7.286","0.004","15.961","0.01","6.859","0.004","90","","102.481","0.015","90","","778.8","0.8","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C2.8 H4 Ag0.2 N0.6 O0.8 -","- C2.8 H4 Ag0.2 N0.6 O0.8 -","- C28 H40 Ag2 N6 O8 -","10","5","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0649","0.0426","","","0.0848","0.0948","","","","","","1.161","","","","has coordinates","303713","2025-11-29","19:18:27",""
"7250963","13.562","0.002","14.966","0.002","7.0426","0.0011","90","","99.938","0.005","90","","1408","0.4","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ag Br2 N3 O3 -","- C10 H8 Ag Br2 N3 O3 -","- C40 H32 Ag4 Br8 N12 O12 -","4","0.5","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0439","0.0287","","","0.0589","0.0633","","","","","","1.057","","","","has coordinates","303713","2025-11-29","19:18:27",""
"7250964","7.3925","0.001","8.9234","0.0012","14.7986","0.0018","80.079","0.004","82.414","0.004","82.005","0.004","946.4","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Ag Br3 N4 O3 -","- C15 H12 Ag Br3 N4 O3 -","- C30 H24 Ag2 Br6 N8 O6 -","2","1","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0343","0.0249","","","0.0464","0.0493","","","","","","1.033","","","","has coordinates","303713","2025-11-29","19:18:27",""
"7250965","7.1676","0.0009","8.8598","0.0012","14.8779","0.0018","79.038","0.004","83.22","0.004","83.3","0.004","916.8","0.2","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Ag Cl3 N4 O3 -","- C15 H12 Ag Cl3 N4 O3 -","- C30 H24 Ag2 Cl6 N8 O6 -","2","1","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0273","0.0219","","","0.0453","0.0466","","","","","","1.075","","","","has coordinates","303713","2025-11-29","19:18:27",""
"7250966","8.2271","0.0007","13.9947","0.0012","13.1526","0.001","90","","93.875","0.003","90","","1510.9","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H18 Ag N3 O3 -","- C14 H18 Ag N3 O3 -","- C56 H72 Ag4 N12 O12 -","4","1","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0652","0.0355","","","0.0709","0.08","","","","","","1.025","","","","has coordinates","303713","2025-11-29","19:18:27",""
"7250967","9.8316","0.001","14.5509","0.0013","10.4516","0.0011","90","","90","","90","","1495.2","0.3","100","","100","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C14 H18 Ag N3 O3 -","- C14 H18 Ag N3 O3 -","- C56 H72 Ag4 N12 O12 -","4","0.5","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0229","0.0171","","","0.0391","0.0417","","","","","","1.072","","","","has coordinates","303713","2025-11-29","19:18:27",""
"7250968","8.4006","0.0007","28.694","0.002","9.6056","0.0008","90","","110.131","0.003","90","","2173.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H108 Ag4 N16 O12 -","- C84 H108 Ag4 N16 O12 -","- C84 H108 Ag4 N16 O12 -","1","0.25","","La Gorcé, Enzo; Theunissen, Tristan K.; Bourne, Susan A.","Non-covalent interactions in silver(i)-lutidine and silver(i)-halopyridine complexes: insights from crystallographic and computational studies","CrystEngComm","2025","27","45","7333","7347","10.1039/D5CE00879D","","","0.71073","MoKα","","0.0431","0.0278","","","0.0556","0.0603","","","","","","1.02","","","","has coordinates","303713","2025-11-29","19:18:27",""
"7250969","9.1118","0.0005","9.4747","0.0006","26.5196","0.0013","90","","94.91","0.005","90","","2281.1","0.2","299.49","0.1","299.49","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Br Cl3 I N3 Pt S -","- C20 H12 Br Cl3 I N3 Pt S -","- C80 H48 Br4 Cl12 I4 N12 Pt4 S4 -","4","1","","Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A.","Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes","CrystEngComm","2025","27","42","6942","6948","10.1039/D5CE00678C","","","0.71073","MoKα","","0.0441","0.0351","","","0.0695","0.0727","","","","","","1.129","","","","has coordinates","303690","2025-11-29","19:09:48",""
"7250970","9.2357","0.0002","9.5567","0.0002","26.4572","0.0005","90","","94.352","0.002","90","","2328.45","0.08","99.9","0.3","99.9","0.3","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H12 Cl3 I2 N3 Pt S -","- C20 H12 Cl3 I2 N3 Pt S -","- C80 H48 Cl12 I8 N12 Pt4 S4 -","4","1","","Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A.","Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes","CrystEngComm","2025","27","42","6942","6948","10.1039/D5CE00678C","","x-ray","1.54184","CuKα","","0.0472","0.0432","","","0.1233","0.1263","","","","","","1.085","","","","has coordinates","303690","2025-11-29","19:09:48",""
"7250971","14.2022","0.0002","5.4179","0.0001","22.6784","0.0003","90","","95.358","0.001","90","","1737.39","0.05","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Br2 Cl N2 Pt -","- C18 H11 Br2 Cl N2 Pt -","- C72 H44 Br8 Cl4 N8 Pt4 -","4","1","","Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A.","Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes","CrystEngComm","2025","27","42","6942","6948","10.1039/D5CE00678C","","x-ray","1.54184","CuKα","","0.0243","0.0234","","","0.0587","0.0593","","","","","","1.054","","","","has coordinates","303690","2025-11-29","19:09:48",""
"7250972","9.0883","0.0003","9.8987","0.0004","13.0781","0.0005","73.195","0.003","81.969","0.003","88.63","0.003","1115.08","0.07","297.88","0.1","297.88","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C19 H12 Br Cl4 I N2 Pt -","- C19 H12 Br Cl4 I N2 Pt -","- C38 H24 Br2 Cl8 I2 N4 Pt2 -","2","1","","Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A.","Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes","CrystEngComm","2025","27","42","6942","6948","10.1039/D5CE00678C","","","0.71073","MoKα","","0.0289","0.0243","","","0.0505","0.0524","","","","","","1.047","","","","has coordinates","303690","2025-11-29","19:09:48",""
"7250973","9.1208","0.0003","9.1619","0.0003","25.3184","0.0009","90","","92.414","0.003","90","","2113.83","0.12","100.2","0.4","100.2","0.4","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 Br2 N4 O2 Pt S -","- C20 H14 Br2 N4 O2 Pt S -","- C80 H56 Br8 N16 O8 Pt4 S4 -","4","1","","Antonova, Elina V.; Kashina, Maria V.; Ivanov, Daniil M.; Bokach, Nadezhda A.; Kinzhalov, Mikhail A.","Crystal engineering with ambidentate thiocyanate: thiocyanate nitrogen as a halogen bond acceptor in platinum(ii) complexes","CrystEngComm","2025","27","42","6942","6948","10.1039/D5CE00678C","","x-ray","0.71073","MoKα","","0.0544","0.0375","","","0.0597","0.0639","","","","","","1.094","","","","has coordinates","303690","2025-11-29","19:09:48",""
"7250974","11.7131","0.0015","12.9283","0.0016","23.679","0.003","81.723","0.002","86.491","0.002","89.546","0.002","3541.7","0.8","100.03","","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C67 H95 Cl9 Cu4 N8 -","- C67 H95 Cl9 Cu4 N8 -","- C134 H190 Cl18 Cu8 N16 -","2","1","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0576","0.0455","","","0.1109","0.1181","","","","","","1.042","","","","has coordinates,has disorder","303684","2025-11-29","19:07:21",""
"7250975","26.7596","0.0017","16.0134","0.001","44.636","0.003","90","","95.211","0.001","90","","19048","2","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C113 H145 Cu4 N8 -","- C113 H145 Cu4 N8 -","- C904 H1160 Cu32 N64 -","8","1","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0937","0.0774","","","0.2009","0.2164","","","","","","1.05","","","","has coordinates,has disorder","303684","2025-11-29","19:07:21",""
"7250976","18.8833","0.0004","25.3326","0.0006","18.958","0.0004","90","","91.053","0.001","90","","9067.3","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C95 H130 Ag4 Cl6 N8 -","- C94 H128 Ag4 Cl4 N8 -","- C376 H512 Ag16 Cl16 N32 -","4","0.5","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0409","0.0272","","","0.0541","0.0604","","","","","","1.082","","","","has coordinates","303684","2025-11-29","19:07:21",""
"7250977","14.9738","0.0017","12.7162","0.0015","23.893","0.003","90","","95.89","0.002","90","","4525.4","0.9","99.98","","99.98","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H69 Ag3 N6 -","- C48 H69 Ag3 N6 -","- C192 H276 Ag12 N24 -","4","1","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0405","0.031","","","0.0725","0.0773","","","","","","1.033","","","","has coordinates,has disorder","303684","2025-11-29","19:07:21",""
"7250978","15.8447","0.0005","16.6587","0.0005","17.2643","0.0005","73.325","0.001","80.088","0.002","68.762","0.001","4057","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C95.6 H127.6 Cu4 N8 -","- C92 H124 Cu4 N8 -","- C184 H248 Cu8 N16 -","2","1","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0465","0.0382","","","0.0951","0.0994","","","","","","1.033","","","","has coordinates,has disorder","303684","2025-11-29","19:07:21",""
"7250979","12.4236","0.001","12.7605","0.001","13.4789","0.0011","76.322","0.003","87.605","0.003","62.505","0.003","1836.1","0.3","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H32 N2 -","- C23 H32 N2 -","- C92 H128 N8 -","4","2","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","","0.71073","MoKα","","0.1037","0.0556","","","0.1116","0.1293","","","","","","1.025","","","","has coordinates","303684","2025-11-29","19:07:21",""
"7250980","13.0607","0.0009","17.7739","0.0012","19.3443","0.0013","90","","90","","90","","4490.6","0.5","100.01","","100.01","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C50 H74 Ag N5 O4 -","- C50 H74 Ag N5 O4 -","- C200 H296 Ag4 N20 O16 -","4","1","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0477","0.0354","","","0.0624","0.0658","","","","","","1.028","","","","has coordinates","303684","2025-11-29","19:07:21",""
"7250981","28.934","0.001","18.033","0.0006","23.2794","0.0008","90","","101.016","0.002","90","","11922.6","0.7","100","","100","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C105 H162 Cl18 Cu6 N12 O6 -","- C105 H162 Cl18 Cu6 N12 O6 -","- C420 H648 Cl72 Cu24 N48 O24 -","4","0.5","","Phan, Vo Quang Huy; Watson, Brandon T.; Noonikara-Poyil, Anurag; Duran, Katrina; Patterson, Monika R.; Dias, H. V. Rasika","Multinuclear copper(i) and silver(i) pyrazolates decorated with adamantyl substituents","CrystEngComm","2025","27","43","6987","6999","10.1039/D5CE00912J","","x-ray","0.71073","MoKα","K-L~3~","0.0517","0.0415","","","0.0919","0.0963","","","","","","1.047","","","","has coordinates","303684","2025-11-29","19:07:21",""
"7250982","14.1135","0.0005","9.5709","0.0003","15.7423","0.0005","90","","114.958","0.004","90","","1927.88","0.13","294.25","0.1","294.25","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","N-(pyrimidin-2-yl)pentanamide","","- C9 H13 N3 O -","- C9 H13 N3 O -","- C72 H104 N24 O8 -","8","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0519","0.0441","","","0.1278","0.136","","","","","","1.08","","","","has coordinates","303682","2025-11-29","19:06:04",""
"7250983","9.4878","0.0002","5.36366","0.00009","24.6068","0.0005","90","","97.8206","0.0019","90","","1240.58","0.04","210","0.1","210","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-(pyrimidin-2-yl)octanamide","","- C12 H19 N3 O -","- C12 H19 N3 O -","- C48 H76 N12 O4 -","4","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0493","0.0417","","","0.1108","0.1166","","","","","","1.052","","","","has coordinates","303682","2025-11-29","19:06:04",""
"7250984","5.4877","0.0001","9.4348","0.0003","10.5745","0.0003","86.598","0.002","83.945","0.002","76.146","0.002","528.28","0.02","292.66","0.13","292.66","0.13","","","","","","","","4","P -1","-P 1","2","","N-(pyrimidin-2-yl)hexanamide","","- C10 H15 N3 O -","- C10 H15 N3 O -","- C20 H30 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0475","0.0438","","","0.1312","0.136","","","","","","1.059","","","","has coordinates","303682","2025-11-29","19:06:04",""
"7250985","11.8524","0.0002","18.7728","0.0002","6.6622","0.0001","90","","90","","90","","1482.36","0.04","210","0.1","210","0.1","","","","","","","","5","C c c m","-C 2 2c","66","","N-(5-bromopyrimidin-2-yl)acetamide","","- C6 H6 Br N3 O -","- C6 H6 Br N3 O -","- C48 H48 Br8 N24 O8 -","8","0.5","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0264","0.0259","","","0.0718","0.0723","","","","","","1.143","","","","has coordinates,has disorder","303682","2025-11-29","19:06:04",""
"7250986","4.22728","0.00007","9.25178","0.00015","15.5113","0.0002","83.8025","0.0013","88.238","0.0013","77.2224","0.0013","588.149","0.016","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5-bromopyrimidin-2-yl)hexanamide","","- C10 H14 Br N3 O -","- C10 H14 Br N3 O -","- C20 H28 Br2 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0237","0.0235","","","0.0614","0.0616","","","","","","1.076","","","","has coordinates","303682","2025-11-29","19:06:04",""
"7250987","11.91357","0.00016","12.78923","0.00014","13.5543","0.0002","116.358","0.0013","103.363","0.0012","100.543","0.001","1701.06","0.05","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5-bromopyrimidin-2-yl)propionamide","","- C7 H8 Br N3 O -","- C7 H8 Br N3 O -","- C56 H64 Br8 N24 O8 -","8","4","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0277","0.0257","","","0.07","0.0713","","","","","","1.059","","","","has coordinates","303682","2025-11-29","19:06:04",""
"7250988","8.51521","0.00009","26.9519","0.0002","9.59636","0.00007","90","","99.8219","0.0009","90","","2170.09","0.03","240","0.1","240","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(5-chloropyrimidin-2-yl)pentanamide","","- C9 H12 Cl N3 O -","- C9 H12 Cl N3 O -","- C72 H96 Cl8 N24 O8 -","8","2","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0495","0.0466","","","0.1302","0.1325","","","","","","1.047","","","","has coordinates,has disorder","303682","2025-11-29","19:06:04",""
"7250989","8.1664","0.0001","10.9587","0.0001","13.4268","0.0002","70.255","0.001","73.271","0.001","78.236","0.001","1075.49","0.02","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5-bromopyrimidin-2-yl)pentanamide","","- C9 H12 Br N3 O -","- C9 H12 Br N3 O -","- C36 H48 Br4 N12 O4 -","4","2","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0243","0.0232","","","0.0633","0.064","","","","","","1.05","","","","has coordinates","303682","2025-11-29","19:06:04",""
"7250990","9.43","0.0016","6.8202","0.0014","12.068","0.002","90","","98.06","0.016","90","","768.5","0.2","294.2","0.1","294.2","0.1","","","","","","","","4","I 1 2/m 1","-I 2y","12","","N-(pyrimidin-2-yl)propionamide","","- C7 H9 N3 O -","- C7 H9 N3 O -","- C28 H36 N12 O4 -","4","0.5","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0775","0.0615","","","0.1712","0.198","","","","","","1.045","","","","has coordinates,has disorder","303682","2025-11-29","19:06:04",""
"7250991","17.7106","0.0005","5.3994","0.0002","18.1317","0.0005","90","","96.21","0.003","90","","1723.7","0.09","294.1","0.2","294.1","0.2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","N-(pyrimidin-2-yl)butyramide","","- C8 H11 N3 O -","- C8 H11 N3 O -","- C64 H88 N24 O8 -","8","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0434","0.0359","","","0.1005","0.1049","","","","","","1.06","","","","has coordinates","303682","2025-11-29","19:06:04",""
"7250992","4.59547","0.00011","8.48559","0.00018","12.8938","0.0004","89.593","0.002","87.432","0.002","76.571","0.002","488.56","0.02","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5-bromopyrimidin-2-yl)butyramide","","- C8 H10 Br N3 O -","- C8 H10 Br N3 O -","- C16 H20 Br2 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.025","0.0241","","","0.0657","0.0662","","","","","","1.111","","","","has coordinates","303682","2025-11-29","19:06:04",""
"7250993","5.4649","0.0002","10.9705","0.0004","12.1885","0.0004","92.709","0.003","102.343","0.003","100.682","0.003","698.59","0.04","210","0.1","210.15","","","","","","","","","5","P -1","-P 1","2","","N-(5-bromopyrimidin-2-yl)octanamide","","- C12 H18 Br N3 O -","- C12 H18 Br N3 O -","- C24 H36 Br2 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","","1.54184","CuKα","","0.0472","0.0407","","","0.1018","0.105","","","","","","1.033","","","","has coordinates","303682","2025-11-29","19:06:04",""
"7250994","11.7286","0.0001","12.7307","0.0001","13.5373","0.0001","116.572","0.001","103.249","0.001","99.737","0.001","1671.82","0.03","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5- chloropyrimidin-2-yl)propionamide","","- C7 H8 Cl N3 O -","- C7 H8 Cl N3 O -","- C56 H64 Cl8 N24 O8 -","8","4","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0343","0.0326","","","0.0945","0.0961","","","","","","1.091","","","","has coordinates","303682","2025-11-29","19:06:04",""
"7250995","11.5229","0.0001","18.7942","0.0003","6.594","0.0001","90","","90","","90","","1428.02","0.03","210","0.1","210","0.1","","","","","","","","5","C c c m","-C 2 2c","66","","N-(5-chloropyrimidin-2-yl)acetamide","","- C6 H6 Cl N3 O -","- C6 H6 Cl N3 O -","- C48 H48 Cl8 N24 O8 -","8","0.5","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0397","0.0385","","","0.1004","0.102","","","","","","1.147","","","","has coordinates,has disorder","303682","2025-11-29","19:06:04",""
"7250996","4.4817","0.0001","8.3337","0.0001","12.9705","0.0002","89.426","0.001","87.812","0.001","77.427","0.001","472.475","0.014","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5-chloropyrimidin-2-yl)butyramide","","- C8 H10 Cl N3 O -","- C8 H10 Cl N3 O -","- C16 H20 Cl2 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0306","0.0301","","","0.0817","0.0821","","","","","","1.103","","","","has coordinates","303682","2025-11-29","19:06:04",""
"7250997","11.27079","0.00012","5.29124","0.00005","21.5186","0.0002","90","","104.083","0.001","90","","1244.72","0.02","210","0.1","210","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(5-bromopyrimidin-2-yl)heptanamide","","- C11 H16 Br N3 O -","- C11 H16 Br N3 O -","- C44 H64 Br4 N12 O4 -","4","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0315","0.0287","","","0.0744","0.0767","","","","","","1.082","","","","has coordinates","303682","2025-11-29","19:06:04",""
"7250998","4.7917","0.0001","7.8274","0.0002","18.7292","0.0004","98.463","0.002","97.059","0.002","100.985","0.002","673.8","0.03","210","0.1","210","0.1","","","","","","","","5","P -1","-P 1","2","","N-(5-chloropyrimidin-2-yl)octanamide","","- C12 H18 Cl N3 O -","- C12 H18 Cl N3 O -","- C24 H36 Cl2 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0408","0.0374","","","0.0989","0.101","","","","","","1.063","","","","has coordinates","303682","2025-11-29","19:06:04",""
"7250999","11.8655","0.0002","4.9261","0.00008","20.0131","0.0003","90","","104.12","0.0016","90","","1134.44","0.03","210","0.1","210","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","N-(5-chloropyrimidin-2-yl)hexanamide","","- C10 H14 Cl N3 O -","- C10 H14 Cl N3 O -","- C40 H56 Cl4 N12 O4 -","4","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0349","0.0319","","","0.0879","0.0902","","","","","","1.05","","","","has coordinates","303682","2025-11-29","19:06:04",""
"7251000","5.404","0.0003","9.4516","0.0004","11.8359","0.0003","86.634","0.003","78.835","0.003","74.9","0.004","572.59","0.04","210","0.1","210","0.1","","","","","","","","4","P -1","-P 1","2","","N-(pyrimidin-2-yl)heptanamide","","- C11 H17 N3 O -","- C11 H17 N3 O -","- C22 H34 N6 O2 -","2","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0544","0.0474","","","0.1306","0.1361","","","","","","1.074","","","","has coordinates","303682","2025-11-29","19:06:04",""
"7251001","14.1859","0.0002","4.43507","0.00005","20.7479","0.0004","90","","107.348","0.0018","90","","1245.98","0.04","210","0.1","210","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(5-chloropyrimidin-2-yl)heptanamide","","- C11 H16 Cl N3 O -","- C11 H16 Cl N3 O -","- C44 H64 Cl4 N12 O4 -","4","1","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.035","0.0322","","","0.0891","0.0918","","","","","","1.052","","","","has coordinates","303682","2025-11-29","19:06:04",""
"7251002","26.6198","0.0002","10.98094","0.00008","8.05204","0.00005","90","","93.5077","0.0007","90","","2349.29","0.03","210","0.1","210","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(5-bromopyrimidin-2-yl)hexanamide","","- C10 H14 Br N3 O -","- C10 H14 Br N3 O -","- C80 H112 Br8 N24 O8 -","8","2","","Marasinghe, Aloka A.; Averkiev, Boris B.; Aakeröy, Christer B.","Examining intermolecular interactions in crystal structures of amide-substituted 2-aminopyrimidine derivatives","CrystEngComm","2025","27","43","7000","7011","10.1039/D5CE00839E","","x-ray","1.54184","CuKα","","0.0331","0.0307","","","0.0884","0.0904","","","","","","1.09","","","","has coordinates,has disorder","303682","2025-11-29","19:06:04",""
"7251003","13.0114","0.0003","13.0114","0.0003","29.2398","0.0009","90","","90","","90","","4950.2","0.2","180","","180","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","apremilast hemikis(2-chlorobenzoic acid)","N-{2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide hemikis(2-chlorobenzoic acid)","","- C25.5 H26.5 Cl0.5 N2 O8 S -","- C25.5 H26.5 Cl0.5 N2 O8 S -","- C204 H212 Cl4 N16 O64 S8 -","8","1","","Naumkina, Yelizaveta; Kratochvíl, Bohumil; Korotkova, Elena; Čejka, Jan","New forms of apremilast with halogen derivatives of benzoic acid","CrystEngComm","2025","27","47","7713","7720","10.1039/D5CE00770D","","","1.5418","CuKα","","0.046","0.0456","","0.1304","0.13","0.1304","","","","","","0.9999","","","","has coordinates","304096","2025-12-06","22:39:02",""
"7251004","13.0171","0.0001","13.0171","0.0001","29.3731","0.0005","90","","90","","90","","4977.12","0.1","180","","180","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","apremilast hemikis(3-chlorobenzoic acid)","N-{2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide hemikis(3-chlorobenzoic acid)","","- C25.5 H26.5 Cl0.5 N2 O8 S -","- C25.5 H26.5 Cl0.5 N2 O8 S -","- C204 H212 Cl4 N16 O64 S8 -","8","1","","Naumkina, Yelizaveta; Kratochvíl, Bohumil; Korotkova, Elena; Čejka, Jan","New forms of apremilast with halogen derivatives of benzoic acid","CrystEngComm","2025","27","47","7713","7720","10.1039/D5CE00770D","","","1.5418","CuKα","","0.0445","0.039","","0.0979","0.0882","0.0979","","","","","","1.0001","","","","has coordinates","304096","2025-12-06","22:39:02",""
"7251005","13.0239","0.0002","13.0239","0.0002","29.5351","0.0007","90","","90","","90","","5009.8","0.16","180","","180","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","apremilast hemikis(3-bromobenzoic acid)","N-{2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide hemikis(3-bromobenzoic acid)","","- C25.5 H26.5 Br0.5 N2 O8 S -","- C25.5 H26.5 Br0.5 N2 O8 S -","- C204 H212 Br4 N16 O64 S8 -","8","1","","Naumkina, Yelizaveta; Kratochvíl, Bohumil; Korotkova, Elena; Čejka, Jan","New forms of apremilast with halogen derivatives of benzoic acid","CrystEngComm","2025","27","47","7713","7720","10.1039/D5CE00770D","","","1.5418","CuKα","","0.0842","0.0832","","0.1981","0.1975","0.1981","","","","","","1","","","","has coordinates","304096","2025-12-06","22:39:02",""
"7251006","13.1247","0.0005","13.4043","0.0005","28.9113","0.0011","90","","90","","90","","5086.3","0.3","180","","180","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","bis(apremilast) 4-chlorobenzoic acid","bis(N-{2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide) 4-chlorobenzoic acid","","- C25.5 H26.5 Cl0.5 N2 O8 S -","- C25.5 H26.5 Cl0.5 N2 O8 S -","- C204 H212 Cl4 N16 O64 S8 -","8","2","","Naumkina, Yelizaveta; Kratochvíl, Bohumil; Korotkova, Elena; Čejka, Jan","New forms of apremilast with halogen derivatives of benzoic acid","CrystEngComm","2025","27","47","7713","7720","10.1039/D5CE00770D","","","1.5418","CuKα","","0.0306","0.0305","","0.0837","0.0835","0.0837","","","","","","1.0114","","","","has coordinates","304096","2025-12-06","22:39:02",""
"7251007","13.2266","0.0003","13.4694","0.0003","28.8772","0.0006","90","","90","","90","","5144.6","0.2","180","","180","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","bis(apremilast) 4-bromobenzoic acid","bis(N-{2-[1-(3-ethoxy-4-methoxyphenyl)-2-(methylsulfonyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl}acetamide) 4-bromobenzoic acid","","- C25.5 H26.5 Br0.5 N2 O8 S -","- C25.5 H26.5 Br0.5 N2 O8 S -","- C204 H212 Br4 N16 O64 S8 -","8","2","","Naumkina, Yelizaveta; Kratochvíl, Bohumil; Korotkova, Elena; Čejka, Jan","New forms of apremilast with halogen derivatives of benzoic acid","CrystEngComm","2025","27","47","7713","7720","10.1039/D5CE00770D","","","1.5418","CuKα","","0.0423","0.0414","","0.1185","0.1181","0.1185","","","","","","1","","","","has coordinates","304096","2025-12-06","22:39:02",""
"7251008","21.636","0.004","15.445","0.002","27.323","0.004","90","","99.797","0.005","90","","8997","2","150","2","150","2","","","","","","","synthesis as described","6","C 1 2/c 1","-C 2yc","15","","","","- C63 H29 Dy3 F54 N8 O22 -","- C63 H29 Dy3 F54 N8 O22 -","- C252 H116 Dy12 F216 N32 O88 -","4","0.5","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.1063","0.0684","","","0.1584","0.1713","","","","","","1.025","","","","has coordinates,has disorder","304099","2025-12-06","22:40:29",""
"7251009","20.1753","0.0011","21.9101","0.0012","23.9762","0.0016","90","","90","","90","","10598.5","1.1","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C93 H86 F42 N4 O13 Yb2 -","- C93 H86 F42 N4 O13 Yb2 -","- C372 H344 F168 N16 O52 Yb8 -","4","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.0926","0.0571","","","0.1194","0.1345","","","","","","1.023","","","","has coordinates,has disorder","304099","2025-12-06","22:40:29",""
"7251010","20.1867","0.0019","21.914","0.002","23.957","0.003","90","","90","","90","","10597.9","1.9","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C93 H92 F42 N4 O13 Yb2 -","- C93 H92 F42 N4 O13 Yb2 -","- C372 H368 F168 N16 O52 Yb8 -","4","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.1977","0.0832","","","0.1586","0.2058","","","","","","0.973","","","","has coordinates,has disorder","304099","2025-12-06","22:40:29",""
"7251011","20.3763","0.0006","21.8829","0.0006","23.9653","0.0008","90","","90","","90","","10685.9","0.6","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C93 H92 Dy2 F42 N4 O13 -","- C93 H92 Dy2 F42 N4 O13 -","- C372 H368 Dy8 F168 N16 O52 -","4","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.0609","0.0386","","","0.0793","0.09","","","","","","1.04","","","","has coordinates,has disorder","304099","2025-12-06","22:40:29",""
"7251012","24.4464","0.001","18.0114","0.0007","32.9488","0.0012","90","","110.32","0.002","90","","13605","0.9","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C88 H34 F84 N8 O34 Yb6 -","- C88 H34 F84 N8 O34 Yb6 -","- C352 H136 F336 N32 O136 Yb24 -","4","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.1691","0.0669","","","0.1413","0.1827","","","","","","1.049","","","","has coordinates,has disorder","304099","2025-12-06","22:40:29",""
"7251013","12.0886","0.0007","13.4975","0.0006","21.222","0.001","90","","93.84","0.003","90","","3454.9","0.3","150","2","150","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H22 Cl2 Dy2 F36 N8 O14 -","- C50 H22 Cl2 Dy2 F36 N8 O14 -","- C100 H44 Cl4 Dy4 F72 N16 O28 -","2","0.5","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.0913","0.0568","","","0.147","0.1709","","","","","","1.056","","","","has coordinates,has disorder","304099","2025-12-06","22:40:29",""
"7251014","33.7474","0.0018","10.9749","0.0006","20.4309","0.0012","90","","90","","90","","7567.1","0.7","150","2","150","2","","","","","","","synthesis as described","7","P b c n","-P 2n 2ab","60","","","","- C33 H20 F9 N4 O7 S3 Yb -","- C33 H20 F9 N4 O7 S3 Yb -","- C264 H160 F72 N32 O56 S24 Yb8 -","8","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.1362","0.0654","","","0.1691","0.2153","","","","","","0.915","","","","has coordinates","304099","2025-12-06","22:40:29",""
"7251015","11.695","0.0009","15.9999","0.0012","16.7054","0.0013","71.873","0.002","70.644","0.002","81.626","0.003","2799.7","0.4","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C39 H14 F36 N4 O13 Yb2 -","- C39 H14 F36 N4 O13 Yb2 -","- C78 H28 F72 N8 O26 Yb4 -","2","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.0808","0.056","","","0.132","0.1573","","","","","","1.104","","","","has coordinates,has disorder","304099","2025-12-06","22:40:29",""
"7251016","20.373","0.003","21.863","0.003","23.974","0.003","90","","90","","90","","10678","3","150","2","150","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C93 H92 Dy2 F42 N4 O13 -","- C93 H92 Dy2 F42 N4 O13 -","- C372 H368 Dy8 F168 N16 O52 -","4","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.1908","0.0816","","","0.1413","0.1841","","","","","","1.004","","","","has coordinates,has disorder","304099","2025-12-06","22:40:29",""
"7251017","16.4799","0.0009","19.9305","0.0011","43.082","0.002","90","","93.33","0.003","90","","14126.5","1.3","150","2","150","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C88 H34 Dy6 F84 N8 O34 -","- C88 H34 Dy6 F84 N8 O34 -","- C352 H136 Dy24 F336 N32 O136 -","4","1","","Douib, Haiet; Lefeuvre, Bertrand; Flores Gonzalez, Jessica; Dorcet, Vincent; Pointillart, Fabrice","Versatility of the methyl-bipyrimidine-<i>N</i>-oxide ligand for the design of lanthanide single-molecule magnets.","CrystEngComm","2025","27","47","7677","7688","10.1039/d5ce00831j","","x-ray","0.71073","MoKα","","0.1557","0.0853","","","0.2202","0.2713","","","","","","1.042","","","","has coordinates,has disorder","304099","2025-12-06","22:40:29",""
"7251018","10.5935","0.0001","14.8164","0.0001","9.1423","0.0001","90","","114.945","0.001","90","","1301.09","0.02","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Br2 N O2 -","- C13 H13 Br2 N O2 -","- C52 H52 Br8 N4 O8 -","4","1","","Jia, Longxia; Liu, Hongling; Shi, Weiwei; Xu, Yingru; Sun, Ruihan; Zuo, Jia; Wang, Bin; Huang, Jianjian; Zhong, Fangrui; Wang, Dangui","A bifunctional recyclable Gemini surfactant catalyst for oxidative nitroso Diels–Alder reactions in water","Green Chemistry","2025","27","43","13885","13892","10.1039/D5GC03912F","","x-ray","1.54184","CuKα","","0.0226","0.0222","","","0.0585","0.0588","","","","","","1.085","","","","has coordinates","303836","2025-11-29","21:26:21",""
"7251019","17.309","0.0003","12.0431","0.0001","20.6182","0.0003","90","","105.402","0.001","90","","4143.59","0.1","294.7","0.3","294.7","0.3","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H21 N3 O -","- C27 H21 N3 O -","- C216 H168 N24 O8 -","8","1","","Zou, Pei-Sen; Geng, Yi-Fan; Liu, Xiao-Qing; Su, Jun-Cheng; Pan, Cheng-Xue; Mo, Dong-Liang; Su, Gui-Fa","An unexpected transition-metal free regioselective cyclization of alkynyl-tethered indoles to prepare indole-fused azepino[2,1-b]quinazolinones and spiroindole-pyrrolo[2,1-b]quinazolinones","Green Chemistry","2025","27","45","14556","14563","10.1039/D5GC04267D","","x-ray","1.54184","CuKα","","0.0634","0.0554","","","0.1421","0.1464","","","","","","0.983","","","","has coordinates","303842","2025-11-29","21:27:49",""
"7251020","11.4831","0.0003","11.2094","0.0004","15.2029","0.0005","90","","92.885","0.003","90","","1954.42","0.11","294.24","0.16","294.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H17 N3 O -","- C25 H17 N3 O -","- C100 H68 N12 O4 -","4","1","","Zou, Pei-Sen; Geng, Yi-Fan; Liu, Xiao-Qing; Su, Jun-Cheng; Pan, Cheng-Xue; Mo, Dong-Liang; Su, Gui-Fa","An unexpected transition-metal free regioselective cyclization of alkynyl-tethered indoles to prepare indole-fused azepino[2,1-b]quinazolinones and spiroindole-pyrrolo[2,1-b]quinazolinones","Green Chemistry","2025","27","45","14556","14563","10.1039/D5GC04267D","","","1.54184","CuKα","","0.1347","0.128","","","0.316","0.3203","","","","","","1.081","","","","has coordinates","303842","2025-11-29","21:27:49",""
"7251021","27.2009","0.0005","8.2531","0.0002","14.6469","0.0002","90","","91.613","0.002","90","","3286.81","0.11","152.99","0.1","152.99","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H21 F3 N2 -","- C18 H21 F3 N2 -","- C144 H168 F24 N16 -","8","1","","Wu, Ziyan; Fang, Guodong; Li, Xindi; Wu, Yuhao; Li, Jinshan; Feng, Yan; Xie, Jialin; Zhou, Xueqing; Wen, Zhenchang; Jia, Chunman","Different paths lead to the same destination: a highly efficient TMSOTf/HFIP catalytic system for large-scale synthesis of fluoroalkyl-containing 4,4′-methylenedianiline (MDA) monomers","Green Chemistry","2025","27","43","13751","13761","10.1039/D5GC03637B","","x-ray","1.54184","CuKα","","0.0515","0.0424","","","0.1163","0.1223","","","","","","1.058","","","","has coordinates","303835","2025-11-29","21:26:05",""
"7251022","12.3495","0.0002","7.3054","0.0001","15.1869","0.0002","90","","93.228","0.001","90","","1367.96","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 F2 N2 -","- C16 H18 F2 N2 -","- C64 H72 F8 N8 -","4","1","","Wu, Ziyan; Fang, Guodong; Li, Xindi; Wu, Yuhao; Li, Jinshan; Feng, Yan; Xie, Jialin; Zhou, Xueqing; Wen, Zhenchang; Jia, Chunman","Different paths lead to the same destination: a highly efficient TMSOTf/HFIP catalytic system for large-scale synthesis of fluoroalkyl-containing 4,4′-methylenedianiline (MDA) monomers","Green Chemistry","2025","27","43","13751","13761","10.1039/D5GC03637B","","","1.54178","CuKα","","0.0407","0.0379","","","0.1008","0.1034","","","","","","1.017","","","","has coordinates","303835","2025-11-29","21:26:05",""
"7251023","10.4817","0.0004","12.0401","0.0005","16.6754","0.0006","90","","90","","90","","2104.45","0.14","100","0.1","100","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H14 N2 O -","- C11 H14 N2 O -","- C88 H112 N16 O8 -","8","1","","Hu, Qi-Long; Deng, Jun-Jie; Ye, Jia; Li, Jian; Chan, Albert S. C.; Su, Hang; Xiong, Xiao-Feng","Chemoselective Minisci alkylation in aqueous medium: a general strategy for functionalization of complex N-heteroarenes and biomolecules","Green Chemistry","2025","27","43","13944","13952","10.1039/D5GC04621A","","x-ray","1.54184","CuKα","","0.0589","0.0511","","","0.1398","0.1465","","","","","","1.065","","","","has coordinates,has disorder","303834","2025-11-29","21:25:53",""
"7251024","4.8344","0.0002","8.9159","0.0003","11.6752","0.0004","76.951","0.003","82.321","0.003","80.632","0.003","481.24","0.03","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C11 H12 N2 O -","- C11 H12 N2 O -","- C22 H24 N4 O2 -","2","1","","Hu, Qi-Long; Deng, Jun-Jie; Ye, Jia; Li, Jian; Chan, Albert S. C.; Su, Hang; Xiong, Xiao-Feng","Chemoselective Minisci alkylation in aqueous medium: a general strategy for functionalization of complex N-heteroarenes and biomolecules","Green Chemistry","2025","27","43","13944","13952","10.1039/D5GC04621A","","x-ray","1.54184","CuKα","","0.0454","0.0404","","","0.1156","0.1197","","","","","","1.062","","","","has coordinates","303834","2025-11-29","21:25:53",""
"7251025","9.882","0.0003","11.9858","0.0004","12.755","0.0004","81.611","0.003","78.193","0.003","67.255","0.003","1360.05","0.08","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H15 F3 N2 O2 -","- C13 H15 F3 N2 O2 -","- C52 H60 F12 N8 O8 -","4","2","","Hu, Qi-Long; Deng, Jun-Jie; Ye, Jia; Li, Jian; Chan, Albert S. C.; Su, Hang; Xiong, Xiao-Feng","Chemoselective Minisci alkylation in aqueous medium: a general strategy for functionalization of complex N-heteroarenes and biomolecules","Green Chemistry","2025","27","43","13944","13952","10.1039/D5GC04621A","","x-ray","1.54184","CuKα","","0.0462","0.0414","","","0.1106","0.1151","","","","","","1.046","","","","has coordinates","303834","2025-11-29","21:25:53",""
"7251042","14.9796","0.0012","14.9796","0.0012","25.7042","0.0017","90","","90","","120","","4995","0.7","293","2","293","2","","","","","","","","5","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C26 H40 N0 O33 Sc6 -","- C26 H40 O33 Sc6 -","- C78 H120 O99 Sc18 -","3","0.25","","Zhang, Liying; Li, Yan; Fan, Meiqing; Gao, Lu; Fan, Yong; Wang, Li","Homochiral coordination polymer with a 1D helical chain based on self-assembly of an achiral Sc(iii) trimer","CrystEngComm","2025","27","46","7514","7519","10.1039/D5CE00794A","","","0.71073","MoKα","","0.0933","0.0665","","","0.206","0.2339","","","","","","1.129","","","","has coordinates","303700","2025-11-29","19:12:34",""
"7251043","15.5067","0.0004","16.2821","0.0005","15.4048","0.0004","90","","103.201","0.003","90","","3786.65","0.19","100","0.3","100","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Monoclinic","","- C47 H36 Cd N2 O6 -","- C47 H36 Cd N2 O6 -","- C188 H144 Cd4 N8 O24 -","4","1","","Hossain, Ersad; Sil, Sayantan; Malik, Srikanta; Goura, Joydeb; Chatterjee, Moumita; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata","Influence of cations on charge transport and Schottky properties in mesaconate-bridged isostructural 1D coordination polymers","CrystEngComm","2025","27","46","7531","7539","10.1039/D5CE00789E","","x-ray","0.71073","MoKα","","0.0496","0.0373","","","0.09","0.0959","","","","","","1.06","","","","has coordinates","303701","2025-11-29","19:12:45",""
"7251044","15.3041","0.0008","15.6105","0.0015","15.5655","0.0011","90","","103.72","0.006","90","","3612.6","0.5","182","110","182","110","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Monoclinic","","- C47 H38 N2 O6 Zn -","- C47 H38 N2 O6 Zn -","- C188 H152 N8 O24 Zn4 -","4","1","","Hossain, Ersad; Sil, Sayantan; Malik, Srikanta; Goura, Joydeb; Chatterjee, Moumita; Ray, Partha Pratim; Mir, Mohammad Hedayetullah; Mukhopadhyay, Subrata","Influence of cations on charge transport and Schottky properties in mesaconate-bridged isostructural 1D coordination polymers","CrystEngComm","2025","27","46","7531","7539","10.1039/D5CE00789E","","x-ray","0.71073","MoKα","","0.1205","0.0869","","","0.2345","0.2628","","","","","","1.085","","","","has coordinates","303701","2025-11-29","19:12:45",""
"7251045","9.5583","0.0005","9.59","0.0005","17.1147","0.0005","78.722","0.003","79.352","0.003","69.659","0.005","1430.89","0.12","100.01","0.1","100.01","0.1","","","","","","","","4","P 1","P 1","1","","","","- C60 H60 N14 O15 -","- C60 H60 N14 O15 -","- C60 H60 N14 O15 -","1","1","","Mudda, Ramesh Reddy; Devarapalli, Ramesh; Bollineni, Manjunath; Das, Arijit; Chennuru, Ramanaiah","Emphasis on pharmaceutically acceptable solvates: linking solubility with isostructurality for better drug design","CrystEngComm","2025","27","46","7562","7574","10.1039/D5CE00633C","","x-ray","1.54184","CuKα","","0.0506","0.0494","","","0.1263","0.1289","","","","","","1.052","","","","has coordinates,has disorder","303699","2025-11-29","19:12:23",""
"7251046","9.49588","0.00014","9.79722","0.00017","17.0733","0.0002","78.0108","0.0013","81.7049","0.0012","70.9622","0.0014","1463.72","0.04","100","0.1","100","0.1","","","","","","","","4","P 1","P 1","1","","Acalabrutinib maleate","","- C62 H62 N14 O14 -","- C62 H62 N14 O14 -","- C62 H62 N14 O14 -","1","1","","Mudda, Ramesh Reddy; Devarapalli, Ramesh; Bollineni, Manjunath; Das, Arijit; Chennuru, Ramanaiah","Emphasis on pharmaceutically acceptable solvates: linking solubility with isostructurality for better drug design","CrystEngComm","2025","27","46","7562","7574","10.1039/D5CE00633C","","x-ray","1.54184","CuKα","","0.0437","0.0429","","","0.1139","0.1151","","","","","","1.053","","","","has coordinates","303699","2025-11-29","19:12:23",""
"7251047","5.6929","0.0001","17.0162","0.0002","13.4451","0.0002","90","","96.135","0.001","90","","1294.99","0.03","100","0.11","100","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","artesunate 4-aminobenzoic acid","","","- C26 H35 N O10 -","- C26 H35 N O10 -","- C52 H70 N2 O20 -","2","1","","Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong","Novel multicomponent crystal forms of artesunate","CrystEngComm","2025","27","44","7146","7169","10.1039/D5CE00279F","","x-ray","1.54184","CuKα","","0.0352","0.0339","","","0.0836","0.0847","","","","","","1.033","","","","has coordinates,has disorder","303673","2025-11-29","19:02:29",""
"7251048","10.5562","0.0003","7.3837","0.0002","15.7892","0.0005","90","","98.315","0.003","90","","1217.73","0.06","99.99","0.11","99.99","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","artesunate urea acetonitrile solvate","","","- C22 H35 N3 O9 -","- C22 H35 N3 O9 -","- C44 H70 N6 O18 -","2","1","","Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong","Novel multicomponent crystal forms of artesunate","CrystEngComm","2025","27","44","7146","7169","10.1039/D5CE00279F","","x-ray","1.54184","CuKα","","0.0726","0.0659","","","0.1891","0.1972","","","","","","1.1","","","","has coordinates","303673","2025-11-29","19:02:29",""
"7251049","10.3355","0.0002","10.1548","0.0002","21.6741","0.0003","90","","102.644","0.002","90","","2219.64","0.07","99.99","0.1","99.99","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H68 N2 O16 -","- C44 H68 N2 O16 -","- C88 H136 N4 O32 -","2","1","","Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong","Novel multicomponent crystal forms of artesunate","CrystEngComm","2025","27","44","7146","7169","10.1039/D5CE00279F","","x-ray","1.54184","CuKα","","0.0413","0.0377","","","0.0958","0.098","","","","","","1.06","","","","has coordinates","303673","2025-11-29","19:02:29",""
"7251050","11.0046","0.0011","8.5912","0.0008","23.6155","0.0018","90","","98.743","0.009","90","","2206.7","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C44 H68 N2 O16 -","- C44 H68 N2 O16 -","- C88 H136 N4 O32 -","2","1","","Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong","Novel multicomponent crystal forms of artesunate","CrystEngComm","2025","27","44","7146","7169","10.1039/D5CE00279F","","x-ray","1.54184","CuKα","","0.1015","0.08","","","0.2265","0.2489","","","","","","1.074","","","","has coordinates","303673","2025-11-29","19:02:29",""
"7251051","9.57054","0.00018","51.5305","0.0006","9.8305","0.0002","90","","118.766","0.003","90","","4249.85","0.18","99.98","0.11","99.98","0.11","","","","","","","","4","P 1 21 1","P 2yb","4","artesunate 1,10-phenanthroline","","","- C31 H36 N2 O8 -","- C31 H36 N2 O8 -","- C186 H216 N12 O48 -","6","3","","Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong","Novel multicomponent crystal forms of artesunate","CrystEngComm","2025","27","44","7146","7169","10.1039/D5CE00279F","","x-ray","1.54184","CuKα","","0.048","0.0461","","","0.1203","0.122","","","","","","1.052","","","","has coordinates","303673","2025-11-29","19:02:29",""
"7251052","10.3625","0.0005","7.3357","0.0003","15.0315","0.0006","90","","93.125","0.004","90","","1140.94","0.09","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","artesunate urea cocrystal methanol solvate","","","- C21 H36 N2 O10 -","- C21 H36 N2 O10 -","- C42 H72 N4 O20 -","2","1","","Madu, Shadrack J.; Wang, Ke; Fábián, László; Li, Mingzhong","Novel multicomponent crystal forms of artesunate","CrystEngComm","2025","27","44","7146","7169","10.1039/D5CE00279F","","x-ray","1.54184","CuKα","","0.0487","0.0466","","","0.1239","0.1258","","","","","","1.056","","","","has coordinates","303673","2025-11-29","19:02:29",""
"7251062","6.6087","0.0012","21.264","0.004","9.0465","0.0017","90","","106.598","0.019","90","","1218.3","0.4","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Br N O3 S -","- C11 H10 Br N O3 S -","- C44 H40 Br4 N4 O12 S4 -","4","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.1047","0.0541","","","0.1094","0.1321","","","","","","1.021","","","","has coordinates","304093","2025-12-06","22:37:00",""
"7251063","6.5344","0.001","9.1056","0.0014","11.7424","0.0019","100.892","0.013","91.458","0.013","105.79","0.014","658.01","0.19","295","","295","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H12 Cl N O3 S -","- C12 H12 Cl N O3 S -","- C24 H24 Cl2 N2 O6 S2 -","2","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.1263","0.078","","","0.1967","0.2333","","","","","","1.018","","","","has coordinates","304093","2025-12-06","22:37:00",""
"7251064","6.5431","0.0008","20.755","0.003","9.1169","0.0012","90","","106.423","0.014","90","","1187.6","0.3","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Cl N O3 S -","- C11 H10 Cl N O3 S -","- C44 H40 Cl4 N4 O12 S4 -","4","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.1025","0.0518","","","0.1108","0.144","","","","","","1.027","","","","has coordinates","304093","2025-12-06","22:37:00",""
"7251065","16.043","0.0006","37.2257","0.0016","6.8695","0.0002","90","","90","","90","","4102.5","0.3","295","","294.99","0.13","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C66 H54 Br6 I6 N6 O18 S6 -","- C66 H54 Br6 I6 N6 O18 S6 -","- C132 H108 Br12 I12 N12 O36 S12 -","2","0.25","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.0967","0.0729","","","0.1259","0.1327","","","","","","1.272","","","","has coordinates,has disorder","304093","2025-12-06","22:37:00",""
"7251066","7.3872","0.0015","24.047","0.002","8.6774","0.0015","90","","113.73","0.02","90","","1411.1","0.4","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 I N O3 S -","- C12 H12 I N O3 S -","- C48 H48 I4 N4 O12 S4 -","4","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.1236","0.0585","","","0.1271","0.1759","","","","","","1.038","","","","has coordinates","304093","2025-12-06","22:37:00",""
"7251067","12.5118","0.0007","9.3438","0.0008","21.996","0.002","90","","90","","90","","2571.5","0.4","295","","295","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H10 I N O3 S -","- C11 H10 I N O3 S -","- C88 H80 I8 N8 O24 S8 -","8","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.0695","0.0436","","","0.0975","0.1166","","","","","","1.084","","","","has coordinates","304093","2025-12-06","22:37:00",""
"7251068","7.6818","0.0006","19.4505","0.0013","9.7988","0.0005","90","","111.819","0.007","90","","1359.2","0.17","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 I N O3 S -","- C12 H12 I N O3 S -","- C48 H48 I4 N4 O12 S4 -","4","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.0547","0.0397","","","0.083","0.0924","","","","","","1.085","","","","has coordinates","304093","2025-12-06","22:37:00",""
"7251069","13.6268","0.0011","6.7637","0.0005","15.8045","0.0015","90","","98.434","0.009","90","","1440.9","0.2","295","","295","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Br I N O3 S -","- C12 H11 Br I N O3 S -","- C48 H44 Br4 I4 N4 O12 S4 -","4","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.0763","0.0691","","","0.186","0.1965","","","","","","1.061","","","","has coordinates","304093","2025-12-06","22:37:00",""
"7251070","7.518","0.001","19.441","0.003","9.745","0.0012","90","","111.921","0.014","90","","1321.3","0.3","295","","295","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Br N O3 S -","- C12 H12 Br N O3 S -","- C48 H48 Br4 N4 O12 S4 -","4","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.1162","0.048","","","0.0827","0.1065","","","","","","0.994","","","","has coordinates","304093","2025-12-06","22:37:00",""
"7251071","12.925","0.0007","9.7288","0.0011","21.2989","0.0018","90","","90","","90","","2678.2","0.4","295","","295","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C11 H10 I N O3 S -","- C11 H10 I N O3 S -","- C88 H80 I8 N8 O24 S8 -","8","1","","Čulig, Matija; Nemec, Vinko; Bregović, Nikola; Cinčić, Dominik","Halopyridinium cations as bifunctional donors of halogen and hydrogen bonds in salts with benzenesulfonic and p-toluenesulfonic acids","CrystEngComm","2025","27","47","7638","7643","10.1039/D5CE00870K","","","0.71073","MoKα","","0.0912","0.048","","","0.113","0.1417","","","","","","1.053","","","","has coordinates","304093","2025-12-06","22:37:00",""
"7251072","10.3644","0.0015","15.773","0.002","13.564","0.002","90","","104.357","0.005","90","","2148.2","0.5","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H15 Cd N2 O8 -","- C26 H15 Cd N2 O8 -","- C104 H60 Cd4 N8 O32 -","4","1","","Meng, Xin; Shen, Yuan; Hua, Yang; Bai, Yun-Ying; Yang, Yu-Fan; Zhang, Hong","Two Cd(ii)–viologen coordination polymers with wave-like layered structures used as multi-stimulus-responsive materials","CrystEngComm","2025","27","44","7128","7134","10.1039/D5CE00661A","","","0.71073","MoKα","","0.1118","0.0757","","","0.1835","0.2101","","","","","","1.07","","","","has coordinates","303674","2025-11-29","19:02:56",""
"7251073","21.6271","0.0004","10.1463","0.0001","21.9122","0.0004","90","","107.862","0.002","90","","4576.53","0.14","99.99","0.1","99.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H44 Cd2 N4 O16 -","- C52 H44 Cd2 N4 O16 -","- C208 H176 Cd8 N16 O64 -","4","1","","Meng, Xin; Shen, Yuan; Hua, Yang; Bai, Yun-Ying; Yang, Yu-Fan; Zhang, Hong","Two Cd(ii)–viologen coordination polymers with wave-like layered structures used as multi-stimulus-responsive materials","CrystEngComm","2025","27","44","7128","7134","10.1039/D5CE00661A","","x-ray","0.71073","MoKα","","0.0562","0.044","","","0.1099","0.1153","","","","","","1.092","","","","has coordinates","303674","2025-11-29","19:02:56",""
"7251074","6.869","0.0006","8.1816","0.0007","14.4226","0.0013","90","","95.38","0.003","90","","806.97","0.12","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H10 N6 O -","- C6 H10 N6 O -","- C24 H40 N24 O4 -","4","1","","Guo, Benyue; Hu, Lu; Pang, Siping","A methyl-driven strategy enhances sensitivity through the modulation of aromaticity","CrystEngComm","2025","27","45","7328","7332","10.1039/D5CE00871A","","","0.71073","MoKα","","0.108","0.0712","","","0.189","0.2602","","","","","","1.136","","","","has coordinates","303708","2025-11-29","19:16:42",""
"7251075","13.8934","0.0019","11.8961","0.0015","8.5408","0.0014","90","","121.962","0.005","90","","1197.6","0.3","170","","170","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C6 H12 N8 O7 -","- C6 H12 N8 O7 -","- C24 H48 N32 O28 -","4","1","","Guo, Benyue; Hu, Lu; Pang, Siping","A methyl-driven strategy enhances sensitivity through the modulation of aromaticity","CrystEngComm","2025","27","45","7328","7332","10.1039/D5CE00871A","","","0.71073","MoKα","","0.0708","0.0508","","","0.1021","0.1169","","","","","","1.039","","","","has coordinates","303708","2025-11-29","19:16:42",""
"7251076","8.4782","0.0012","14.2395","0.0019","6.3998","0.001","90","","97.711","0.005","90","","765.63","0.19","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 N2 O5 -","- C6 H8 N2 O5 -","- C24 H32 N8 O20 -","4","1","","Guo, Benyue; Hu, Lu; Pang, Siping","A methyl-driven strategy enhances sensitivity through the modulation of aromaticity","CrystEngComm","2025","27","45","7328","7332","10.1039/D5CE00871A","","","0.71073","MoKα","","0.1573","0.0815","","","0.1895","0.2216","","","","","","1.116","","","","has coordinates","303708","2025-11-29","19:16:42",""
"7251077","7.699","0.003","12.322","0.004","14.09","0.008","90","","90","","90","","1336.7","1","100","","100","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C6 H5 N3 O2 -","- C6 H5 N3 O2 -","- C48 H40 N24 O16 -","8","1","","Guo, Benyue; Hu, Lu; Pang, Siping","A methyl-driven strategy enhances sensitivity through the modulation of aromaticity","CrystEngComm","2025","27","45","7328","7332","10.1039/D5CE00871A","","","0.71073","MoKα","","0.0961","0.0589","","","0.1291","0.1501","","","","","","1.05","","","","has coordinates","303708","2025-11-29","19:16:42",""
"7251078","14.1206","0.0006","19.4498","0.0008","8.7731","0.0003","90","","106.183","0.002","90","","2314","0.16","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C6 H11 N9 O5 -","- C6 H11 N9 O5 -","- C48 H88 N72 O40 -","8","1","","Guo, Benyue; Hu, Lu; Pang, Siping","A methyl-driven strategy enhances sensitivity through the modulation of aromaticity","CrystEngComm","2025","27","45","7328","7332","10.1039/D5CE00871A","","","0.71073","MoKα","","0.0874","0.0519","","","0.1171","0.1378","","","","","","1.029","","","","has coordinates","303708","2025-11-29","19:16:42",""
"7251079","12.646","0.008","13.107","0.008","15.668","0.009","89.95","0.02","79.6","0.02","87.27","0.03","2551","3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H13 N9 O7 -","- C6 H13 N9 O7 -","- C48 H104 N72 O56 -","8","4","","Guo, Benyue; Hu, Lu; Pang, Siping","A methyl-driven strategy enhances sensitivity through the modulation of aromaticity","CrystEngComm","2025","27","45","7328","7332","10.1039/D5CE00871A","","","0.71073","MoKα","","0.1657","0.0948","","","0.2476","0.2906","","","","","","1.043","","","","has coordinates","303708","2025-11-29","19:16:42",""
"7251085","12.0055","0.0001","25.3262","0.0003","24.2636","0.0005","90","","94.6459","0.0015","90","","7353.2","0.19","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C96 H104 N24 O48 P16 Pt12 -","- C96 H104 N24 O48 P16 Pt12 -","- C192 H208 N48 O96 P32 Pt24 -","2","0.5","","Uemura, Kazuhiro; Kanamori, Shota","Electrostatically assembled one-dimensional platinum chains with red-shifted MMLCT transitions","CrystEngComm","2025","27","47","7633","7637","10.1039/D5CE00818B","","","0.71073","MoKα","","0.0414","0.0309","","","0.0797","0.0883","","","","","","1.088","","","","has coordinates,has disorder","304098","2025-12-06","22:39:39",""
"7251086","13.0195","0.0003","18.9029","0.0005","15.0103","0.0003","90","","90.943","0.002","90","","3693.63","0.15","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 N6 O12 P4 Pt3 -","- C24 H28 N6 O12 P4 Pt3 -","- C96 H112 N24 O48 P16 Pt12 -","4","1","","Uemura, Kazuhiro; Kanamori, Shota","Electrostatically assembled one-dimensional platinum chains with red-shifted MMLCT transitions","CrystEngComm","2025","27","47","7633","7637","10.1039/D5CE00818B","","","0.71073","MoKα","","0.0567","0.036","","","0.0648","0.0707","","","","","","1.062","","","","has coordinates","304098","2025-12-06","22:39:39",""
"7251087","33.386","0.007","11.052","0.002","14.922","0.003","90","","100.97","0.03","90","","5405.3","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H24 N5 O4.5 -","- C29 H24 N5 O4.5 -","- C232 H192 N40 O36 -","8","1","","Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.","Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures","CrystEngComm","2025","27","44","7135","7145","10.1039/D5CE00470E","","","0.71073","Synchrotron","","0.093","0.066","","","0.1866","0.2097","","","","","","1.032","","","","has coordinates","303675","2025-11-29","19:03:23",""
"7251088","32.051","0.005","32.051","0.005","28.537","0.006","90","","90","","90","","29315","9","100","2","100","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C27 H14 Cu1.5 N4 O5.5 -","- C27 H14 Cu1.5 N4 O5.5 -","- C432 H224 Cu24 N64 O88 -","16","1","","Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.","Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures","CrystEngComm","2025","27","44","7135","7145","10.1039/D5CE00470E","","","0.71073","MoKα","","0.0614","0.0473","","","0.1661","0.187","","","","","","0.99","","","","has coordinates","303675","2025-11-29","19:03:23",""
"7251089","19.8544","0.0003","18.8871","0.0002","20.3096","0.0003","90","","111.172","0.002","90","","7101.87","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H48 Mg2 N10 O15 -","- C62 H48 Mg2 N10 O15 -","- C248 H192 Mg8 N40 O60 -","4","1","","Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.","Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures","CrystEngComm","2025","27","44","7135","7145","10.1039/D5CE00470E","","","1.54184","CuKα","","0.0948","0.0884","","","0.2513","0.2573","","","","","","1.066","","","","has coordinates","303675","2025-11-29","19:03:23",""
"7251090","42.346","0.006","42.346","0.006","33.254","0.007","90","","90","","90","","59631","17","100","2","100","2","","","","","","","","5","I -4","I -4","82","","","","- C162 H84 Gd4 N24 O25 -","- C162 H84 Gd4 N24 O25 -","- C1296 H672 Gd32 N192 O200 -","8","1","","Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.","Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures","CrystEngComm","2025","27","44","7135","7145","10.1039/D5CE00470E","","","0.71073","Synchrotron","","0.1204","0.0906","","","0.2147","0.2373","","","","","","1.033","","","","has coordinates","303675","2025-11-29","19:03:23",""
"7251091","33.9994","0.0007","33.9994","0.0007","21.8483","0.0011","90","","90","","90","","25255.7","1.5","100","2","100","2","","","","","","","","5","P 42/n b c :2","-P 4ac 2b","133","","","","- C27 H14.62 Cu1.5 N4 O5.5 -","- C27 H14 Cu1.5 N4 O5.5 -","- C432 H224 Cu24 N64 O88 -","16","1","","Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.","Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures","CrystEngComm","2025","27","44","7135","7145","10.1039/D5CE00470E","","","1.54184","CuKα","","0.2255","0.092","","","0.2809","0.3772","","","","","","0.923","","","","has coordinates","303675","2025-11-29","19:03:23",""
"7251092","18.9715","0.0003","18.9715","0.0003","24.607","0.0005","90","","90","","120","","7670","0.2","100","2","100","2","","","","","","","","5","P 32","P 32","145","","","","- C54 H28 Ca2 N8 O10 -","- C54 H28 Ca2 N8 O10 -","- C162 H84 Ca6 N24 O30 -","3","1","","Nicholson, Elliot J.; Hanton, Lyall R.; Macreadie, Lauren K.","Metal ion influence on paddlewheel SBUs formed from a mixed donor multidentate ligand and the consequences for MOF structures","CrystEngComm","2025","27","44","7135","7145","10.1039/D5CE00470E","","","1.54178","CuKα","","0.0979","0.096","","","0.2502","0.2549","","","","","","1.011","","","","has coordinates","303675","2025-11-29","19:03:23",""
"7251093","13.651","0.002","14.252","0.003","15.902","0.003","88.819","0.009","81.557","0.008","74.642","0.008","2950.4","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C64 H84 N4 O17 -","- C64 H84 N4 O17 -","- C128 H168 N8 O34 -","2","1","","Kawahata, Masatoshi; Makino, Hayahide; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Tetrameric H-shaped assemblies as a motif in inclusion crystals of bent-shaped host molecules having nitrophenol moieties","CrystEngComm","2025","27","47","7655","7661","10.1039/D5CE00655D","","","1.54178","CuKα","","0.0946","0.0735","","","0.1864","0.1989","","","","","","1.1","","","","has coordinates,has disorder","304100","2025-12-06","22:41:17",""
"7251094","7.0389","0.0014","10.51","0.002","15.782","0.003","91.671","0.004","90.864","0.004","100.318","0.004","1147.9","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 N2 O8 -","- C26 H28 N2 O8 -","- C52 H56 N4 O16 -","2","1","","Kawahata, Masatoshi; Makino, Hayahide; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Tetrameric H-shaped assemblies as a motif in inclusion crystals of bent-shaped host molecules having nitrophenol moieties","CrystEngComm","2025","27","47","7655","7661","10.1039/D5CE00655D","","","1.54178","CuKα","","0.0428","0.0426","","","0.1118","0.112","","","","","","1.088","","","","has coordinates","304100","2025-12-06","22:41:17",""
"7251095","22.1125","0.0019","6.6904","0.0006","16.0518","0.0014","90","","90","","90","","2374.7","0.4","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C26 H30 N2 O8 -","- C26 H30 N2 O8 -","- C104 H120 N8 O32 -","4","0.5","","Kawahata, Masatoshi; Makino, Hayahide; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Tetrameric H-shaped assemblies as a motif in inclusion crystals of bent-shaped host molecules having nitrophenol moieties","CrystEngComm","2025","27","47","7655","7661","10.1039/D5CE00655D","","","1.54178","CuKα","","0.07","0.0689","","","0.1876","0.1884","","","","","","1.149","","","","has coordinates","304100","2025-12-06","22:41:17",""
"7251096","13.123","0.003","11.645","0.002","12.458","0.002","90","","106.293","0.002","90","","1827.3","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br2 O2 -","- C22 H22 Br2 O2 -","- C88 H88 Br8 O8 -","4","1","","Kawahata, Masatoshi; Makino, Hayahide; Hyodo, Tadashi; Tominaga, Masahide; Yamaguchi, Kentaro","Tetrameric H-shaped assemblies as a motif in inclusion crystals of bent-shaped host molecules having nitrophenol moieties","CrystEngComm","2025","27","47","7655","7661","10.1039/D5CE00655D","","","0.71073","MoKα","","0.0188","0.0173","","","0.0425","0.043","","","","","","1.058","","","","has coordinates","304100","2025-12-06","22:41:17",""
"7251097","6.8713","0.0004","12.7549","0.0006","14.2974","0.0007","90","","97.542","0.005","90","","1242.22","0.11","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 F5 N O S -","- C13 H6 F5 N O S -","- C52 H24 F20 N4 O4 S4 -","4","1","","Toshima, Ryo; Eguchi, Yuto; Oshima, Ibuki; Yoshino, Riku; Tamano, Natsuki; Fukumoto, Hiroki; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki; Morita, Masato","Co-crystallization of benzothiazole via halogen and hydrogen bonding: crystal structure and photoluminescence properties","CrystEngComm","2025","27","47","7649","7654","10.1039/D5CE00645G","","x-ray","0.71073","MoKα","","0.0586","0.0474","","","0.147","0.1533","","","","","","1.147","","","","has coordinates","304094","2025-12-06","22:37:34",""
"7251098","12.7322","0.0006","12.9715","0.0005","8.4476","0.0004","90","","101.938","0.005","90","","1364.99","0.11","173","","173","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C14 H6 F5 N O2 S -","- C14 H6 F5 N O2 S -","- C56 H24 F20 N4 O8 S4 -","4","1","","Toshima, Ryo; Eguchi, Yuto; Oshima, Ibuki; Yoshino, Riku; Tamano, Natsuki; Fukumoto, Hiroki; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki; Morita, Masato","Co-crystallization of benzothiazole via halogen and hydrogen bonding: crystal structure and photoluminescence properties","CrystEngComm","2025","27","47","7649","7654","10.1039/D5CE00645G","","x-ray","0.71073","MoKα","","0.0315","0.0292","","","0.0816","0.0834","","","","","","1.045","","","","has coordinates","304094","2025-12-06","22:37:34",""
"7251099","10.4312","0.0005","4.2982","0.0002","23.6454","0.001","90","","97.6","0.004","90","","1050.84","0.08","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 F4 I2 N2 S2 -","- C20 H10 F4 I2 N2 S2 -","- C40 H20 F8 I4 N4 S4 -","2","0.5","","Toshima, Ryo; Eguchi, Yuto; Oshima, Ibuki; Yoshino, Riku; Tamano, Natsuki; Fukumoto, Hiroki; Yasui, Motohiro; Konno, Tsutomu; Yamada, Shigeyuki; Morita, Masato","Co-crystallization of benzothiazole via halogen and hydrogen bonding: crystal structure and photoluminescence properties","CrystEngComm","2025","27","47","7649","7654","10.1039/D5CE00645G","","x-ray","0.71073","MoKα","","0.0247","0.0217","","","0.0556","0.0571","","","","","","1.095","","","","has coordinates","304094","2025-12-06","22:37:34",""
"7251100","10.29396","0.00007","23.41077","0.00018","11.59685","0.00008","90","","91.6145","0.0006","90","","2793.61","0.03","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H19 Cl3 N4 S2 -","- C32 H19 Cl3 N4 S2 -","- C128 H76 Cl12 N16 S8 -","4","1","","Ogawa, Kota; Sumida, Ayaka; Kubota, Rikuto; Tachikawa, Takashi; Ito, Suguru","Reprecipitation-driven access to solvates and solvent-free crystals: achieving two-solvent-mediated vapochromic luminescence","CrystEngComm","2025","27","46","7484","7490","10.1039/D5CE00946D","","","1.54184","CuKα","","0.037","0.035","","","0.0912","0.0927","","","","","","1.037","","","","has coordinates","303696","2025-11-29","19:11:23",""
"7251101","11.7158","0.0001","5.8667","0.0001","17.82","0.0002","90","","106.345","0.001","90","","1175.32","0.03","123","2","123.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H18 N4 S2 -","- C31 H18 N4 S2 -","- C62 H36 N8 S4 -","2","1","","Ogawa, Kota; Sumida, Ayaka; Kubota, Rikuto; Tachikawa, Takashi; Ito, Suguru","Reprecipitation-driven access to solvates and solvent-free crystals: achieving two-solvent-mediated vapochromic luminescence","CrystEngComm","2025","27","46","7484","7490","10.1039/D5CE00946D","","","1.54184","CuKα","","0.0341","0.0333","","","0.0868","0.0878","","","","","","1.029","","","","has coordinates,has disorder","303696","2025-11-29","19:11:23",""
"7251113","8.168","0.0002","10.9027","0.0002","11.8936","0.0002","75.122","0.002","77.773","0.002","80.977","0.002","994.53","0.04","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C9.5 H7 N5 Se0.5 -","- C9.5 H7 N5 Se0.5 -","- C38 H28 N20 Se2 -","4","2","","Smirnov, Andrey S.; Katlenok, Eugene A.; Vakhrushev, Aleksandr Yu.; Krasilnikov, Vitalii A.; Belskaya, Nataliya P.; Katkova, Svetlana A.; Bokach, Nadezhda A.","Divergent noncovalent interactions of isomeric nitrile and isocyanide groups in selenodiazole–triazole cocrystals: σ-hole chalcogen bonding versus π–π stacking","CrystEngComm","2025","27","45","7390","7398","10.1039/D5CE00888C","","x-ray","1.54184","CuKα","","0.04","0.0367","","","0.1211","0.1269","","","","","","1.026","","","","has coordinates","303712","2025-11-29","19:18:12",""
"7251114","11.0474","0.0002","21.2353","0.0002","8.1038","0.0001","90","","94.318","0.001","90","","1895.71","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Cocryastals of 2-(4-isocyanophenyl)-5-morpholino-2H-1,2,3-triazole-4-carbonitrile with 1,2,5-selenadiazole-3,4-dicarbonitrile","","- C18 H12 N10 O Se -","- C18 H12 N10 O Se -","- C72 H48 N40 O4 Se4 -","4","1","","Smirnov, Andrey S.; Katlenok, Eugene A.; Vakhrushev, Aleksandr Yu.; Krasilnikov, Vitalii A.; Belskaya, Nataliya P.; Katkova, Svetlana A.; Bokach, Nadezhda A.","Divergent noncovalent interactions of isomeric nitrile and isocyanide groups in selenodiazole–triazole cocrystals: σ-hole chalcogen bonding versus π–π stacking","CrystEngComm","2025","27","45","7390","7398","10.1039/D5CE00888C","","x-ray","1.54184","CuKα","","0.0409","0.0368","","","0.1136","0.12","","","","","","0.969","","","","has coordinates","303712","2025-11-29","19:18:12",""
"7251115","7.4527","0.0002","14.1001","0.0004","14.2337","0.0004","65.216","0.003","82.064","0.003","79.392","0.003","1331.65","0.07","99.96","0.16","100.15","","","","","","","","","4","P -1","-P 1","2","","2-(4-isocyanophenyl)-5-morpholino-2H-1,2,3-triazole-4-carbonitrile","","- C2.24 H1.92 N0.96 O0.16 -","- C2.24 H1.92 N0.96 O0.16 -","- C56 H48 N24 O4 -","25","12.5","","Smirnov, Andrey S.; Katlenok, Eugene A.; Vakhrushev, Aleksandr Yu.; Krasilnikov, Vitalii A.; Belskaya, Nataliya P.; Katkova, Svetlana A.; Bokach, Nadezhda A.","Divergent noncovalent interactions of isomeric nitrile and isocyanide groups in selenodiazole–triazole cocrystals: σ-hole chalcogen bonding versus π–π stacking","CrystEngComm","2025","27","45","7390","7398","10.1039/D5CE00888C","","","1.54184","CuKα","","0.0411","0.0381","","","0.1062","0.1091","","","","","","0.948","","","","has coordinates","303712","2025-11-29","19:18:12",""
"7251116","7.7842","0.0008","22.6186","0.0009","13.3599","0.0014","90","","136.167","0.019","90","","1629.1","0.6","150","0.1","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N3 O2 Pt S -","- C19 H13 N3 O2 Pt S -","- C76 H52 N12 O8 Pt4 S4 -","4","1","","Stubbs, Clare L.; Bryant, Mathew J.; Hatcher, Lauren E.; Raithby, Paul R.","Manipulating vapochromic or solvatochromic properties of platinum(ii) pincer complexes through ligand modifications","CrystEngComm","2025","27","46","7498","7513","10.1039/D5CE00747J","","","0.71073","MoKα","","0.0602","0.0406","","","0.0662","0.0745","","","","","","0.997","","","","has coordinates","303697","2025-11-29","19:11:35",""
"7251117","7.2737","0.0004","10.8511","0.0005","11.9475","0.0007","64.988","0.005","88.479","0.004","72.764","0.004","810.85","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 N3 O3 Pt -","- C19 H13 N3 O3 Pt -","- C38 H26 N6 O6 Pt2 -","2","1","","Stubbs, Clare L.; Bryant, Mathew J.; Hatcher, Lauren E.; Raithby, Paul R.","Manipulating vapochromic or solvatochromic properties of platinum(ii) pincer complexes through ligand modifications","CrystEngComm","2025","27","46","7498","7513","10.1039/D5CE00747J","","","0.71073","MoKα","","0.0306","0.0273","","","0.0626","0.0647","","","","","","1.024","","","","has coordinates","303697","2025-11-29","19:11:35",""
"7251118","7.08014","0.00016","15.7289","0.0007","18.5245","0.0007","73.209","0.004","84.553","0.003","80.933","0.003","1947.64","0.13","150","2","150.15","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H42 N4 O13 Pt2 -","- C40 H42 N4 O13 Pt2 -","- C80 H84 N8 O26 Pt4 -","2","1","","Stubbs, Clare L.; Bryant, Mathew J.; Hatcher, Lauren E.; Raithby, Paul R.","Manipulating vapochromic or solvatochromic properties of platinum(ii) pincer complexes through ligand modifications","CrystEngComm","2025","27","46","7498","7513","10.1039/D5CE00747J","","","0.71073","MoKα","","0.0687","0.0469","","","0.0707","0.0778","","","","","","1.023","","","","has coordinates","303697","2025-11-29","19:11:35",""
"7251119","6.016","0.0006","10.8276","0.001","18.939","0.002","96.883","0.004","92.383","0.004","93.239","0.003","1221.4","0.2","150.9","","150.9","","","","","","","","","4","P -1","-P 1","2","","","","- C52 H62 N6 O12 -","- C52 H62 N6 O12 -","- C52 H62 N6 O12 -","1","0.5","","Brown, Corey L.; Elliott, Scarlett H.; Woodfine, Sian E.; Hawes, Chris S.","Structural chemistry and environment-dependent fluorescence of a tetratopic pyrrolo[3,2-b]pyrrole ligand","CrystEngComm","2025","27","45","7358","7366","10.1039/D5CE00926J","","","0.71073","MoKα","","0.1176","0.0591","","","0.112","0.1325","","","","","","1.014","","","","has coordinates","303711","2025-11-29","19:17:47",""
"7251120","12.1393","0.0004","13.144","0.0004","15.0291","0.0004","73.654","0.001","81.676","0.001","84.428","0.001","2272.84","0.12","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C45 H47 N5 O13 Sr2 -","- C45 H45 N5 O13 Sr2 -","- C90 H90 N10 O26 Sr4 -","2","1","","Brown, Corey L.; Elliott, Scarlett H.; Woodfine, Sian E.; Hawes, Chris S.","Structural chemistry and environment-dependent fluorescence of a tetratopic pyrrolo[3,2-b]pyrrole ligand","CrystEngComm","2025","27","45","7358","7366","10.1039/D5CE00926J","","","0.71073","MoKα","","0.0862","0.0508","","","0.1187","0.1338","","","","","","1.028","","","","has coordinates,has disorder","303711","2025-11-29","19:17:47",""
"7251121","5.9506","0.0005","11.1443","0.0008","13.9257","0.0011","82.324","0.002","82.077","0.002","85.923","0.002","905.17","0.12","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 N4 O10 -","- C42 H40 N4 O10 -","- C42 H40 N4 O10 -","1","0.5","","Brown, Corey L.; Elliott, Scarlett H.; Woodfine, Sian E.; Hawes, Chris S.","Structural chemistry and environment-dependent fluorescence of a tetratopic pyrrolo[3,2-b]pyrrole ligand","CrystEngComm","2025","27","45","7358","7366","10.1039/D5CE00926J","","","0.71073","MoKα","","0.1201","0.0593","","","0.1166","0.1394","","","","","","1.024","","","","has coordinates","303711","2025-11-29","19:17:47",""
"7251122","12.1771","0.0005","13.2036","0.0006","14.7842","0.0006","72.297","0.001","81.998","0.001","82.619","0.001","2233.05","0.16","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C37.75 H37 N2 O13.75 Sr2 -","- C37.75 H37 N2 O13.75 Sr2 -","- C75.5 H74 N4 O27.5 Sr4 -","2","1","","Brown, Corey L.; Elliott, Scarlett H.; Woodfine, Sian E.; Hawes, Chris S.","Structural chemistry and environment-dependent fluorescence of a tetratopic pyrrolo[3,2-b]pyrrole ligand","CrystEngComm","2025","27","45","7358","7366","10.1039/D5CE00926J","","","0.71073","MoKα","","0.099","0.057","","","0.1406","0.1576","","","","","","1.04","","","","has coordinates","303711","2025-11-29","19:17:47",""
"7251123","6.2269","0.0001","13.1586","0.0003","15.0552","0.0004","90","","92.462","0.001","90","","1232.44","0.05","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 N O S -","- C15 H13 N O S -","- C60 H52 N4 O4 S4 -","4","1","","Rao, Feiyang; Hu, Kui; He, Yuanxiang; Zuo, Ziyi; Lv, Shiming; Geng, Shu; Pan, Li; Wang, Hongmei; Huang, Feng","Mechanism-controlled switchable regioselective O- and N-cyclization alkenylation of alkenylbenzamides via dual photoredox and cobalt catalysis","Green Chemistry","2025","27","44","14328","14337","10.1039/D5GC04510J","","","1.54178","CuKα","","0.0812","0.0801","","","0.2429","0.2459","","","","","","1.083","","","","has coordinates","303832","2025-11-29","21:25:31",""
"7251124","6.2451","0.0001","9.7295","0.0002","11.3595","0.0002","82.15","0.002","86.291","0.002","82.644","0.002","677.34","0.02","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O -","- C17 H15 N O -","- C34 H30 N2 O2 -","2","1","","Rao, Feiyang; Hu, Kui; He, Yuanxiang; Zuo, Ziyi; Lv, Shiming; Geng, Shu; Pan, Li; Wang, Hongmei; Huang, Feng","Mechanism-controlled switchable regioselective O- and N-cyclization alkenylation of alkenylbenzamides via dual photoredox and cobalt catalysis","Green Chemistry","2025","27","44","14328","14337","10.1039/D5GC04510J","","x-ray","1.54178","CuKα","","0.0483","0.0462","","","0.1235","0.1257","","","","","","1.055","","","","has coordinates","303832","2025-11-29","21:25:31",""
"7251125","13.582","0.004","6.928","0.002","18.231","0.006","90","","94.755","0.008","90","","1709.6","0.9","296.15","","296.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 O -","- C24 H18 O -","- C96 H72 O4 -","4","1","","Luo, Hui; Wang, Yan; He, Yu; Li, Li; Ma, Yinfeng; Wang, Guohui; Yang, Jinhui","Electrochemical synthesis of tetralones utilizing platinum nanoparticles as the anode material","Green Chemistry","2025","27","43","13644","13650","10.1039/D5GC03300D","","","0.71073","MoKα","","0.2248","0.0971","","","0.2184","0.2875","","","","","","1.024","","","","has coordinates","303833","2025-11-29","21:25:41",""
"7251160","11.9255","0.0003","8.1437","0.0002","34.919","0.0009","90","","90","","90","","3391.25","0.15","123","","123","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H17 N O -","- C23 H17 N O -","- C184 H136 N8 O8 -","8","1","","Yamada, Shinji; Akazawa, Rika; Chida, Moemi","Supramolecular dual-synthon in cocrystals of 1-azaanthracene and naphthols: cooperation between hydrogen bonds and cation–π interactions","CrystEngComm","2025","27","46","7491","7497","10.1039/D5CE01015B","","","1.54187","CuKα","","0.1121","0.0757","","","0.1922","0.2424","","","","","","1.049","","","","has coordinates","303698","2025-11-29","19:12:08",""
"7251161","12.8489","0.0004","12.3073","0.0003","8.3025","0.0002","90","","95.371","0.002","90","","1307.15","0.06","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N2 O2 -","- C36 H26 N2 O2 -","- C72 H52 N4 O4 -","2","0.5","","Yamada, Shinji; Akazawa, Rika; Chida, Moemi","Supramolecular dual-synthon in cocrystals of 1-azaanthracene and naphthols: cooperation between hydrogen bonds and cation–π interactions","CrystEngComm","2025","27","46","7491","7497","10.1039/D5CE01015B","","","1.54187","CuKα","","0.086","0.0585","","","0.1678","0.1879","","","","","","1.107","","","","has coordinates","303698","2025-11-29","19:12:08",""
"7251162","7.1764","0.0004","14.0408","0.0008","26.7227","0.0013","99.423","0.004","97.13","0.003","102.165","0.004","2561.3","0.2","123","","123","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H26 N2 O2 -","- C36 H26 N2 O2 -","- C144 H104 N8 O8 -","4","2","","Yamada, Shinji; Akazawa, Rika; Chida, Moemi","Supramolecular dual-synthon in cocrystals of 1-azaanthracene and naphthols: cooperation between hydrogen bonds and cation–π interactions","CrystEngComm","2025","27","46","7491","7497","10.1039/D5CE01015B","","","1.54187","CuKα","","0.1162","0.0872","","","0.286","0.3224","","","","","","1.125","","","","has coordinates","303698","2025-11-29","19:12:08",""
"7251163","13.4906","0.0008","10.8297","0.0006","8.9753","0.0005","90","","101.133","0.004","90","","1286.61","0.13","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N2 O -","- C36 H24 N2 O -","- C72 H48 N4 O2 -","2","0.5","","Yamada, Shinji; Akazawa, Rika; Chida, Moemi","Supramolecular dual-synthon in cocrystals of 1-azaanthracene and naphthols: cooperation between hydrogen bonds and cation–π interactions","CrystEngComm","2025","27","46","7491","7497","10.1039/D5CE01015B","","","1.54187","CuKα","","0.1477","0.0877","","","0.2118","0.2913","","","","","","1.451","","","","has coordinates","303698","2025-11-29","19:12:08",""
"7251164","13.8579","0.0005","10.9972","0.0005","8.7947","0.0004","90","","102.687","0.002","90","","1307.57","0.1","123","","123","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 N2 O2 -","- C36 H26 N2 O2 -","- C72 H52 N4 O4 -","2","0.5","","Yamada, Shinji; Akazawa, Rika; Chida, Moemi","Supramolecular dual-synthon in cocrystals of 1-azaanthracene and naphthols: cooperation between hydrogen bonds and cation–π interactions","CrystEngComm","2025","27","46","7491","7497","10.1039/D5CE01015B","","","1.54187","CuKα","","0.1129","0.0984","","","0.2816","0.297","","","","","","1.117","","","","has coordinates","303698","2025-11-29","19:12:08",""
"7251165","28.512","0.005","6.7261","0.0004","18.5315","0.0013","90","","113.557","0.012","90","","3257.7","0.7","298","2","298","2","0.38","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1066","0.0803","","","0.23","0.2592","","","","","","1.065","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251166","28.099","0.005","6.56","0.0004","18.2689","0.0011","90","","113.434","0.01","90","","3089.7","0.7","298","2","298","2","1.17","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.085","0.0651","","","0.1807","0.1967","","","","","","1.066","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251167","27.928","0.005","6.4713","0.0004","18.1487","0.0013","90","","113.447","0.012","90","","3009.2","0.7","298","2","298","2","1.68","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0799","0.0603","","","0.1622","0.1775","","","","","","1.037","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251168","27.806","0.006","6.4028","0.0005","18.0642","0.0015","90","","113.52","0.014","90","","2948.9","0.8","298","2","298","2","2.27","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0748","0.0561","","","0.1374","0.149","","","","","","1.049","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251169","28.224","0.004","6.6179","0.0004","18.353","0.001","90","","113.462","0.009","90","","3144.6","0.6","298","2","298","2","0.84","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0914","0.0699","","","0.1915","0.2092","","","","","","1.082","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251170","28.753","0.004","6.79","0.0008","18.636","0.005","90","","113.838","0.011","90","","3328","1.1","298","2","298","2","0.29","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1709","0.0958","","","0.2627","0.3232","","","","","","1.072","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251171","30.251","0.01","6.8318","0.0008","16.845","0.002","90","","105.15","0.02","90","","3360.3","1.3","296","2","296","2","0","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1127","0.0415","","","0.0814","0.1057","","","","","","1.03","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251172","28.443","0.009","6.0167","0.0007","15.7781","0.0017","90","","102.951","0.018","90","","2631.5","1","296","2","296","2","5.2","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0605","0.0307","","","0.0703","0.0836","","","","","","1.047","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251173","13.985","0.002","6.0616","0.0006","17.534","0.003","81.661","0.009","109.861","0.012","79.082","0.007","1336.9","0.4","297","","297","","","","","","","","","5","P 1","P 1","1","","","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C72 H84 F4 N12 O18 -","4","4","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1436","0.0864","","","0.2288","0.2761","","","","","","1.014","","","","has coordinates,has disorder","304095","2025-12-06","22:38:16",""
"7251174","27.878","0.003","6.436","0.0006","18.107","0.003","90","","113.447","0.008","90","","2980.5","0.7","298","2","298","2","2.19","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1065","0.0652","","","0.157","0.1835","","","","","","1.028","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251175","28.697","0.007","6.1346","0.0005","15.9813","0.0014","90","","103.278","0.015","90","","2738.2","0.8","296","2","296","2","3.62","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0687","0.0375","","","0.0803","0.0965","","","","","","1.105","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251176","27.562","0.003","6.1945","0.0007","17.83","0.004","90","","113.823","0.009","90","","2784.8","0.8","298","2","298","2","4.05","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1501","0.1074","","","0.2935","0.3265","","","","","","1.204","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251177","29.962","0.013","6.6982","0.0011","16.738","0.003","90","","104.82","0.03","90","","3247.4","1.7","296","2","296","2","0.28","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1124","0.0427","","","0.0842","0.1045","","","","","","1.032","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251178","28.1035","0.0017","6.5548","0.0004","18.263","0.002","90","","113.49","0.004","90","","3085.5","0.4","298","2","298","2","1.26","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.125","0.0794","","","0.2173","0.2642","","","","","","1.034","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251179","29.63","0.007","6.5439","0.0006","16.5404","0.0016","90","","104.354","0.016","90","","3107","0.9","296","2","296","2","0.76","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0932","0.0418","","","0.0967","0.1154","","","","","","1.151","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251180","27.717","0.003","6.3111","0.0006","17.983","0.004","90","","113.633","0.009","90","","2881.9","0.8","298","2","298","2","2.99","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.1261","0.0728","","","0.2063","0.2338","","","","","","1.125","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251181","28.803","0.007","6.1832","0.0005","16.0548","0.0014","90","","103.372","0.015","90","","2781.8","0.8","296","2","296","2","3","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0676","0.0357","","","0.0668","0.0815","","","","","","1.097","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251182","29.123","0.007","6.3326","0.0006","16.2627","0.0016","90","","103.781","0.017","90","","2912.9","0.8","296","2","296","2","1.81","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.08","0.0447","","","0.1096","0.1272","","","","","","1.124","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251183","29.051","0.007","6.299","0.0006","16.2226","0.0017","90","","103.694","0.016","90","","2884.2","0.8","296","2","296","2","2.16","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0748","0.0419","","","0.104","0.117","","","","","","1.113","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251184","27.834","0.002","6.401","0.0005","18.072","0.003","90","","113.524","0.005","90","","2952.2","0.6","298","2","298","2","2.4","","","","","","","5","C 1 2 1","C 2y","5","","Levofloxacin hydrate","","- C18 H21 F N3 O4.5 -","- C18 H21 F N3 O4.5 -","- C144 H168 F8 N24 O36 -","8","2","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0949","0.0687","","","0.1754","0.1965","","","","","","1.057","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251185","29.425","0.01","6.4513","0.0008","16.439","0.002","90","","104.14","0.02","90","","3026.1","1.2","296","2","296","2","1.24","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0984","0.0493","","","0.1115","0.134","","","","","","1.106","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251186","28.547","0.007","6.0686","0.0005","15.8759","0.0014","90","","103.121","0.016","90","","2678.5","0.8","296","2","296","2","4.47","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0687","0.0376","","","0.0748","0.0928","","","","","","1.101","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251187","28.984","0.008","6.2603","0.0006","16.1666","0.0016","90","","103.6","0.018","90","","2851.2","0.9","296","2","296","2","2.47","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Ofloxacin","","- C18 H20 F N3 O4 -","- C18 H20 F N3 O4 -","- C144 H160 F8 N24 O32 -","8","1","","Gasol-Cardona, Julia; Ward, Martin R.; Comboni, Davide; Hanfland, Micheal; Scatena, Rebecca; Warren, Mark R.; Maloney, Andrew G. P.; Oswald, Iain D. H.","Pressure-induced phase behaviour and compressibility of the racemic and chiral solid forms, ofloxacin and levofloxacin","CrystEngComm","2025","27","47","7662","7676","10.1039/D5CE00855G","","","0.71073","MoKα","","0.0746","0.0385","","","0.0658","0.0789","","","","","","1.149","","","","has coordinates","304095","2025-12-06","22:38:16",""
"7251188","8.1969","0.0003","9.9913","0.0003","11.1769","0.0003","96.179","0.002","96.375","0.002","104.189","0.003","873.27","0.05","100","","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C11 H18 Br4 Cd N2 O -","- C11 H18 Br4 Cd N2 O -","- C22 H36 Br8 Cd2 N4 O2 -","2","1","","Li, Jia-Peng; Yuan, Li; Li, Ping; Wu, Ming; Xie, Yong-Tai; Lei, Xiao-Wu; Jing, Zhi-Hong; Gong, Zhongliang","Zero-dimensional organic–inorganic hybrid cadmium halides with broadband blue light emission","CrystEngComm","2025","27","45","7348","7357","10.1039/D5CE00873E","","x-ray","1.54184","CuKα","","0.0426","0.042","","","0.122","0.1222","","","","","","1.006","","","","has coordinates","303710","2025-11-29","19:17:35",""
"7251189","8.1636","0.0003","21.034","0.0009","9.962","0.0004","90","","102.756","0.001","90","","1668.39","0.12","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 Br4 Cd F N2 -","- C10 H15 Br4 Cd F N2 -","- C40 H60 Br16 Cd4 F4 N8 -","4","1","","Li, Jia-Peng; Yuan, Li; Li, Ping; Wu, Ming; Xie, Yong-Tai; Lei, Xiao-Wu; Jing, Zhi-Hong; Gong, Zhongliang","Zero-dimensional organic–inorganic hybrid cadmium halides with broadband blue light emission","CrystEngComm","2025","27","45","7348","7357","10.1039/D5CE00873E","","","0.71073","MoKα","","0.0509","0.0329","","","0.0738","0.0821","","","","","","0.955","","","","has coordinates","303710","2025-11-29","19:17:35",""
"7251194","8.1357","0.0001","10.6328","0.0001","14.3118","0.0002","90","","90","","90","","1238.05","0.03","149.99","0.1","149.99","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 N2 O3 -","- C13 H14 N2 O3 -","- C52 H56 N8 O12 -","4","1","","Zhang, Jing-Yi; Li, Ming-Han; Cui, Yu-Shun; Yang, Ying; Lai, Miao; Gao, Zi-Xun; Zheng, Lin-Yu; Lu, Si-Ao; Liu, Bin-Tao; Lu, Fang-Ling; Feng, Yu-Lin","Site-selective electrochemical C(sp3)–H late-stage functionalization of pyrazolones","Green Chemistry","2025","27","46","14783","14791","10.1039/D5GC02947C","","x-ray","1.54184","CuKα","","0.0248","0.0244","","","0.0624","0.0625","","","","","","1.075","","","","has coordinates","303840","2025-11-29","21:27:19",""
"7251230","15.407","0.002","13.1276","0.0018","20.156","0.003","90","","109.181","0.004","90","","3850.4","0.9","153","","153","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C84 H56 In6 O36 P4 -","- C84 H56 In6 O36 P4 -","- C84 H56 In6 O36 P4 -","1","0.25","","Lv, Hong-Juan; Zhai, Yunhui; Qu, Yingjuan; Xue, Min; Wang, Gang; Yuan, Yang; Yuan, Wenyu","Construction of indium–organic frameworks with flu-topology for efficient acetylene separation","CrystEngComm","2025","27","47","7734","7742","10.1039/D5CE00945F","","","1.54184","CuKα","","0.0682","0.0644","","","0.1715","0.177","","","","","","1.0141","","","","has coordinates","304097","2025-12-06","22:39:25",""
"7251254","9.1569","0.0002","22.3534","0.0004","9.6077","0.0002","90","","109.638","0.002","90","","1852.19","0.07","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F6 N O -","- C21 H17 F6 N O -","- C84 H68 F24 N4 O4 -","4","1","","Wang, Bin; Li, Zekun; Cao, Hua","Rearrangement-driven divergent synthesis: a metal-free tandem annulation for CF3-functionalized 1-(aminomethyl)naphthalen-2-ols and 1-(2-naphthyl)azetidines","Green Chemistry","2025","27","47","15074","15080","10.1039/D5GC05046D","","x-ray","1.54184","CuKα","","0.0514","0.0472","","","0.1317","0.1366","","","","","","1.046","","","","has coordinates","304113","2025-12-07","06:23:37",""
"7251255","9.5424","0.0005","19.5291","0.0008","10.0245","0.0005","90","","111.692","0.005","90","","1735.82","0.16","169.99","0.1","169.99","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H20 F3 N O -","- C21 H20 F3 N O -","- C84 H80 F12 N4 O4 -","4","1","","Wang, Bin; Li, Zekun; Cao, Hua","Rearrangement-driven divergent synthesis: a metal-free tandem annulation for CF3-functionalized 1-(aminomethyl)naphthalen-2-ols and 1-(2-naphthyl)azetidines","Green Chemistry","2025","27","47","15074","15080","10.1039/D5GC05046D","","x-ray","1.54184","CuKα","","0.0684","0.0552","","","0.144","0.1601","","","","","","1.022","","","","has coordinates","304113","2025-12-07","06:23:37",""
"7251256","5.49673","0.00014","20.9321","0.0005","23.4394","0.0005","90","","92.345","0.002","90","","2694.63","0.11","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F3 N O2 -","- C15 H14 F3 N O2 -","- C120 H112 F24 N8 O16 -","8","2","","Wang, Bin; Li, Zekun; Cao, Hua","Rearrangement-driven divergent synthesis: a metal-free tandem annulation for CF3-functionalized 1-(aminomethyl)naphthalen-2-ols and 1-(2-naphthyl)azetidines","Green Chemistry","2025","27","47","15074","15080","10.1039/D5GC05046D","","x-ray","1.54184","CuKα","","0.0539","0.049","","","0.1381","0.1421","","","","","","1.084","","","","has coordinates,has disorder","304113","2025-12-07","06:23:37",""
"7251343","9.4891","0.0003","6.3751","0.0002","10.7541","0.0003","90","","105.248","0.002","90","","627.66","0.03","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- Be Cd F4 H8 O4 -","- Be Cd F4 H8 O4 -","- Be4 Cd4 F16 H32 O16 -","4","0.5","","Charkin, D. O.; Kireev, V. E.; Banaru, A. M.; Kompanchenko, A. A.; Tananaev, I. G.; Aksenov, S. M.","When sulfate, selenate, and fluoroberyllate are not isostructural analogs: the case of Cd[BeF4]·4H2O and (C2H8N2)[Cd(H2O)6][BeF4]2","CrystEngComm","2025","27","42","6926","6933","10.1039/D5CE00696A","","x-ray","0.71073","MoKα","","0.0238","0.0216","","","0.0225","0.0231","","","","1.1","1.1","1.08","","","","has coordinates","303453","2025-11-27","11:29:57",""
"7251344","8.2702","0.0003","7.0248","0.0003","13.162","0.0004","90","","101.71","0.003","90","","748.75","0.05","293","","293","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C2 H22 Be2 Cd F8 N2 O6 -","- C2 H22 Be2 Cd F8 N2 O6 -","- C4 H44 Be4 Cd2 F16 N4 O12 -","2","0.5","","Charkin, D. O.; Kireev, V. E.; Banaru, A. M.; Kompanchenko, A. A.; Tananaev, I. G.; Aksenov, S. M.","When sulfate, selenate, and fluoroberyllate are not isostructural analogs: the case of Cd[BeF4]·4H2O and (C2H8N2)[Cd(H2O)6][BeF4]2","CrystEngComm","2025","27","42","6926","6933","10.1039/D5CE00696A","","x-ray","0.71073","MoKα","","0.0592","0.0461","","","0.0582","0.0619","","","","1.53","1.53","1.4","","","","has coordinates","303453","2025-11-27","11:29:57",""
"7251407","4.1764","0.0004","7.4068","0.001","12.223","0.0013","90.144","0.01","97.506","0.009","91.316","0.01","374.76","0.07","295","2","295","2","","","","","","","","4","P -1","-P 1","2","(E)-methyl pyruvate semicarbazone","methyl (E)-2-(2-carbamoylhydrazineylidene)propanoate","","- C5 H9 N3 O3 -","- C5 H9 N3 O3 -","- C10 H18 N6 O6 -","2","1","","Raičević, Vidak; Radulović, Niko S.; Banić, Nemanja; Leovac, Vukadin M.; Rodić, Marko V.","Competing hydrogen bonding and acyclic π-stacking between hydrogen-bridged quasi-rings in Z- and E-methyl pyruvate semicarbazone: a quantitative interaction energy analysis","CrystEngComm","2025","27","47","7721","7733","10.1039/D5CE00911A","","x-ray","1.54184","CuKα","","0.0423","0.0384","","","0.1099","0.116","","","","","","1.087","","","","has coordinates","304030","2025-12-04","18:43:11",""
"7251408","36.4109","0.001","23.9057","0.0009","7.0463","0.0002","90","","90","","90","","6133.3","0.3","295","2","295","2","","","","","","","","4","F d d 2","F 2 -2d","43","(Z)-methyl pyruvate semicarbazone","Methyl (Z)-2-(2-carbamoylhydrazineylidene)propanoate","","- C5 H9 N3 O3 -","- C5 H9 N3 O3 -","- C160 H288 N96 O96 -","32","2","","Raičević, Vidak; Radulović, Niko S.; Banić, Nemanja; Leovac, Vukadin M.; Rodić, Marko V.","Competing hydrogen bonding and acyclic π-stacking between hydrogen-bridged quasi-rings in Z- and E-methyl pyruvate semicarbazone: a quantitative interaction energy analysis","CrystEngComm","2025","27","47","7721","7733","10.1039/D5CE00911A","","x-ray","0.71073","MoKα","","0.0541","0.0383","","","0.0851","0.0929","","","","","","1.036","","","","has coordinates","304030","2025-12-04","18:43:11",""
"9004196","5.958","","10.576","","3.749","","90","","90","","90","","236.231","","","","","","","","","","","","Mount Lion Mine, Colorado, USA","3","P b m 2","P 2 -2b","28","","","Magnolite","- Hg2 O3 Te -","- Hg2 O3 Te -","- Hg4 O6 Te2 -","2","0.5","","Grice, J. D.","The crystal structure of magnolite, Hg2TeO3","The Canadian Mineralogist","1989","27","","133","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004197","10.2711","","10.2711","","10.807","","90","","90","","90","","1140.09","","","","","","","","","","","","Vermilion mine, Sudbury District, Ontario, Canada","4","I 4/m m m","-I 4 2","139","","","Arsenohauchecornite","- As Bi3 Ni18 S16 -","- As Bi3 Ni18 S16 -","- As2 Bi6 Ni36 S32 -","2","0.0625","","Grice, J. D.; Ferguson, R. B.","The crystal structure of arsenohauchecornite","The Canadian Mineralogist","1989","27","","137","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004198","9.084","","9.084","","9.084","","90","","90","","90","","749.603","","","","","","","","","","","","","6","P -4 3 n","P -4n 2 3","218","","","Nosean","- Al3 H8 Na4.04 O14.44 S0.49 Si3 -","- Al3 H0.96 Na4.04 O14.44 S0.49 Si3 -","- Al6 H1.92 Na8.08 O28.88 S0.98 Si6 -","2","0.0833333","","Hassan, I.; Grundy, H. D.","The structure of nosean, ideally Na8(Al6Si6O24)SO4.H2O Note: O2 z-coordinate has been corrected according to the ICSD","The Canadian Mineralogist","1989","27","","165","172","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:09",""
"9004199","12.29","","3.59","","11.174","","90","","97.24","","90","","489.078","","","","","","","","","","","","Colorado Plateau, USA","3","P 1 21/m 1","-P 2yb","11","","","Hewettite","- Ca0.5 O11.5 V3 -","- Ca0.5 O11.5 V3 -","- Ca O23 V6 -","2","0.5","","Evans, H. T.","The crystal structure of hewettite Note: sample Weeks number W-220-54","The Canadian Mineralogist","1989","27","","181","188","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004200","10.3174","","10.3174","","7.3378","","90","","90","","120","","676.452","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","Vanadinite","- Cl O12 Pb5 V3 -","- Cl O12 Pb5 V3 -","- Cl2 O24 Pb10 V6 -","2","0.166667","","Dai, Y. S.; Hughes, J. M.","Crystal-structure refinements of vanadinite and pyromorphite","The Canadian Mineralogist","1989","27","","189","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004201","9.9764","","9.9764","","7.3511","","90","","90","","120","","633.623","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","Pyromorphite","- Cl O12 P3 Pb5 -","- Cl O12 P3 Pb5 -","- Cl2 O24 P6 Pb10 -","2","0.166667","","Dai, Y. S.; Hughes, J. M.","Crystal-structure refinements of vanadinite and pyromorphite","The Canadian Mineralogist","1989","27","","189","192","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004202","7.401","","7.412","","9.99","","90","","90","","90","","548.014","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","Leucophanite","- Be Ca F Na O6 Si2 -","- Be Ca F Na O6 Si2 -","- Be4 Ca4 F4 Na4 O24 Si8 -","4","1","","Grice, J. D.; Hawthorne, F. C.","Refinement of the crystal structure of leucophanite","The Canadian Mineralogist","1989","27","","193","197","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004203","16.012","","16.012","","7.245","","90","","90","","120","","1608.65","","","","","","","","","","","","Cuvier Island, New Zealand","10","R 3 m :H","R 3 -2""","160","","","Feruvite","- Al4.722 B3 Ca0.62 Fe1.992 H4 Mg2.025 Na0.38 O31 Si6 Ti0.291 -","- Al4.722 B3 Ca0.62 Fe1.992 H4 Mg2.025 Na0.38 O31 Si6 Ti0.291 -","- Al14.166 B9 Ca1.86 Fe5.976 H12 Mg6.075 Na1.14 O93 Si18 Ti0.873 -","3","0.166667","","Grice, J. D.; Robinson, G. W.","Feruvite, a new member of the tourmaline group, and its crystal structure","The Canadian Mineralogist","1989","27","","199","203","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004204","8.244","","6.043","","11.987","","90","","90","","90","","597.174","","","","","","","","","","","","Torre Capdulla, Lerida, Italy","4","P n m a","-P 2ac 2n","62","","","Antlerite","- Cu3 H4 O8 S -","- Cu3 H4 O8 S -","- Cu12 H16 O32 S4 -","4","0.5","","Hawthorne, F. C.; Groat, L. A.; Eby, R. K.","Antlerite, Cu3SO4(OH)4, a heteropolyhedral wallpaper structure","The Canadian Mineralogist","1989","27","","205","209","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:20",""
"9004205","7.158","","7.552","","16.014","","89.06","","104.32","","84.97","","834.894","","","","","","","","","","","","Hemlo gold deposit, Hemlo, Ontario, Canada","7","P -1","-P 1","2","","","Hemloite","- Al0.32 As1.474 Fe4 O24 Sb0.47 Ti5.58 V2.1 -","- Al0.32 As1.474 Fe4 O24 Sb0.47 Ti5.58 V2.1 -","- Al0.64 As2.948 Fe8 O48 Sb0.94 Ti11.16 V4.2 -","2","1","","Harris, D. C.; Hoskins, B. F.; Grey, I. E.; Criddle, A. J.; Stanley, C. J.","Hemloite (As,Sb)2(Ti,V,Fe,Al)12O23OH: A new mineral from the Hemlo gold deposit, Hemlo, Ontario, and its crystal structure","The Canadian Mineralogist","1989","27","","427","440","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:07",""
"9004206","20.76","","5.154","","19.248","","90","","93.55","","90","","2055.53","","","","","","","","","","","","Mangualde, Portugal","5","C 1 2/c 1","-C 2yc","15","","","Beraunite","- Fe4.8 H17 Mn1.2 O27 P4 -","- Fe4.8 H17 Mn1.2 O27 P4 -","- Fe19.2 H68 Mn4.8 O108 P16 -","4","0.5","","Marzoni Fecia di Cossato, Y.; Orlandi, P.; Pasero, M.","Manganese-bearing beraunite from Mangualde, Portugal: mineral data and structure refinement","The Canadian Mineralogist","1989","27","","441","446","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004207","17.916","","4.79","","5.509","","90","","90","","90","","472.769","","","","","","","","","","","","","3","P m c n","-P 2n 2a","62","","","Stibivanite","- O5 Sb2 V -","- O5 Sb2 V -","- O20 Sb8 V4 -","4","0.5","","Merlino, S.; Orlandi, P.; Perchiazzi, N.; Basso, R.; Palenzona, A.","Polytypism in stibivanite","The Canadian Mineralogist","1989","27","","625","632","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004208","6.852","","8.659","","4.686","","90","","101.69","","90","","272.26","","","","","","","","","","","","","4","C 1 2 1","C 2y","5","","","Gittinsite","- Ca O7 Si2 Zr -","- Ca O7 Si2 Zr -","- Ca2 O14 Si4 Zr2 -","2","0.5","","Roelofsen-Ahl J N; Peterson, R. C.","Gittinsite: A modification of the thortveitite structure","The Canadian Mineralogist","1989","27","","703","708","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9006693","5.4223","","5.4223","","12.7041","","90","","90","","120","","323.476","","","","","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- Al4 Ca O11 Si2 -","- Al3.99999 Ca O11 Si2.00001 -","- Al7.99998 Ca2 O22 Si4.00002 -","2","0.0833333","","Gautron, L.; Angel, R. J.; Miletich, R.","Structural characterisation of the high-pressure phase CaAl4Si2O11 Note: Biso values altered to agree with the anisotropic values, as indicated by Ross Angel, March 2004","Physics and Chemistry of Minerals","1999","27","","47","51","10.1007/s002690050239","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006694","4.815","","4.815","","4.815","","90","","90","","90","","111.632","","","","298","","","","","","heating wire, T = 298 K","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: PtRh10% heating wire, T = 298 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006695","4.819","","4.819","","4.819","","90","","90","","90","","111.91","","","","407","","","","","","heating wire, T = 407 K","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: PtRh10% heating wire, T = 407 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006696","4.827","","4.827","","4.827","","90","","90","","90","","112.469","","","","500","","","","","","heating wire, T = 500 K","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: PtRh10% heating wire, T = 500 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006697","4.833","","4.833","","4.833","","90","","90","","90","","112.889","","","","585","","","","","","heating wire, T = 585 K","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: PtRh10% heating wire, T = 585 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006698","4.841","","4.841","","4.841","","90","","90","","90","","113.45","","","","688","","","","","","heating wire, T = 688 K","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: PtRh10% heating wire, T = 688 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006699","4.846","","4.846","","4.846","","90","","90","","90","","113.802","","","","778","","","","","","heating wire, T = 778 K","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: PtRh10% heating wire, T = 778 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006700","4.857","","4.857","","4.857","","90","","90","","90","","114.579","","","","875","","","","","","heating wire, T = 875 K","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: PtRh10% heating wire, T = 875 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006701","4.867","","4.867","","4.867","","90","","90","","90","","115.288","","","","1001","","","","","","heating wire, T = 1001 K","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: PtRh10% heating wire, T = 1001 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006702","4.876","","4.876","","4.876","","90","","90","","90","","115.929","","","","1116","","","","","","heating wire, T = 1116 K","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: PtRh10% heating wire, T = 1116 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006703","4.882","","4.882","","4.882","","90","","90","","90","","116.357","","","","1222","","","","","","heating wire, T = 1222 K","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: PtRh10% heating wire, T = 1222 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006704","4.887","","4.887","","4.887","","90","","90","","90","","116.715","","","","1289","","","","","","heating wire, T = 1289 K","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: PtRh10% heating wire, T = 1289 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006705","4.894","","4.894","","4.894","","90","","90","","90","","117.217","","","","1390","","","","","","heating wire, T = 1390 K","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: PtRh10% heating wire, T = 1390 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006706","4.902","","4.902","","4.902","","90","","90","","90","","117.793","","","","1485","","","","","","heating wire, T = 1485 K","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: PtRh10% heating wire, T = 1485 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006707","4.909","","4.909","","4.909","","90","","90","","90","","118.298","","","","1573","","","","","","heating wire, T = 1573 K","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: PtRh10% heating wire, T = 1573 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006708","4.915","","4.915","","4.915","","90","","90","","90","","118.733","","","","1656","","","","","","heating wire, T = 1656 K","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: PtRh10% heating wire, T = 1656 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006709","4.926","","4.926","","4.926","","90","","90","","90","","119.532","","","","1812","","","","","","heating wire, T = 1812 K","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: PtRh10% heating wire, T = 1812 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006710","4.913","","4.913","","4.913","","90","","90","","90","","118.588","","","","1882","","","","","","heating wire, T = 1882 K","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: PtRh10% heating wire, T = 1882 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006711","4.937","","4.937","","4.937","","90","","90","","90","","120.334","","","","1964","","","","","","heating wire, T = 1964 K","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: PtRh10% heating wire, T = 1964 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006712","4.811","","4.811","","4.811","","90","","90","","90","","111.354","","","","300","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 300 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006713","4.819","","4.819","","4.819","","90","","90","","90","","111.91","","","","398","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 398 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006714","4.823","","4.823","","4.823","","90","","90","","90","","112.189","","","","528","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 528 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006715","4.83","","4.83","","4.83","","90","","90","","90","","112.679","","","","664","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 664 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006716","4.842","","4.842","","4.842","","90","","90","","90","","113.521","","","","844","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 844 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006717","4.857","","4.857","","4.857","","90","","90","","90","","114.579","","","","1022","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 1022 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006718","4.888","","4.888","","4.888","","90","","90","","90","","116.787","","","","1292","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 1292 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006719","4.898","","4.898","","4.898","","90","","90","","90","","117.505","","","","1427","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 1427 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006720","4.901","","4.901","","4.901","","90","","90","","90","","117.721","","","","1548","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 1548 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006721","4.908","","4.908","","4.908","","90","","90","","90","","118.226","","","","1659","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 1659 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006722","4.912","","4.912","","4.912","","90","","90","","90","","118.515","","","","1733","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 1733 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006723","4.914","","4.914","","4.914","","90","","90","","90","","118.66","","","","1711","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 1711 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006724","4.92","","4.92","","4.92","","90","","90","","90","","119.095","","","","1808","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 1808 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006725","4.933","","4.933","","4.933","","90","","90","","90","","120.042","","","","1959","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 1959 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006726","4.945","","4.945","","4.945","","90","","90","","90","","120.92","","","","2114","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 2114 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006727","4.956","","4.956","","4.956","","90","","90","","90","","121.729","","","","2222","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 2222 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006728","4.965","","4.965","","4.965","","90","","90","","90","","122.393","","","","2303","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 2303 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006729","4.973","","4.973","","4.973","","90","","90","","90","","122.986","","","","2362","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 2362 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006730","4.977","","4.977","","4.977","","90","","90","","90","","123.283","","","","2407","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 2407 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006731","4.813","","4.813","","4.813","","90","","90","","90","","111.493","","","","298","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 298 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006732","4.891","","4.891","","4.891","","90","","90","","90","","117.002","","","","1473","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 1473 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006733","4.907","","4.907","","4.907","","90","","90","","90","","118.154","","","","1673","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 1673 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006734","4.915","","4.915","","4.915","","90","","90","","90","","118.733","","","","1773","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 1773 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006735","4.925","","4.925","","4.925","","90","","90","","90","","119.459","","","","1873","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 1873 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006736","4.932","","4.932","","4.932","","90","","90","","90","","119.969","","","","1973","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 1973 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006737","4.943","","4.943","","4.943","","90","","90","","90","","120.774","","","","2073","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 2073 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006738","4.95","","4.95","","4.95","","90","","90","","90","","121.287","","","","2173","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 2173 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006739","4.964","","4.964","","4.964","","90","","90","","90","","122.319","","","","2273","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 2273 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006740","4.969","","4.969","","4.969","","90","","90","","90","","122.689","","","","2373","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 2373 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006741","4.976","","4.976","","4.976","","90","","90","","90","","123.209","","","","2473","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 2473 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006742","4.987","","4.987","","4.987","","90","","90","","90","","124.028","","","","2573","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 2573 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006743","4.997","","4.997","","4.997","","90","","90","","90","","124.775","","","","2673","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 2673 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006744","5.009","","5.009","","5.009","","90","","90","","90","","125.676","","","","2773","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 2773 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006745","5.025","","5.025","","5.025","","90","","90","","90","","126.884","","","","2973","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 2973 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006746","5.03","","5.03","","5.03","","90","","90","","90","","127.264","","","","3073","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Lime","- Ca O -","- Ca O -","- Ca4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 3073 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006747","4.21","","4.21","","4.21","","90","","90","","90","","74.618","","","","298","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 298 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006748","4.216","","4.216","","4.216","","90","","90","","90","","74.938","","","","421","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 421 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006749","4.222","","4.222","","4.222","","90","","90","","90","","75.258","","","","505","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 505 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006750","4.226","","4.226","","4.226","","90","","90","","90","","75.472","","","","591","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 591 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006751","4.232","","4.232","","4.232","","90","","90","","90","","75.794","","","","694","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 694 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006752","4.237","","4.237","","4.237","","90","","90","","90","","76.063","","","","790","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 790 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006753","4.244","","4.244","","4.244","","90","","90","","90","","76.441","","","","874","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 874 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006754","4.249","","4.249","","4.249","","90","","90","","90","","76.711","","","","964","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 964 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006755","4.257","","4.257","","4.257","","90","","90","","90","","77.146","","","","1052","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 1052 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006756","4.261","","4.261","","4.261","","90","","90","","90","","77.363","","","","1120","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 1120 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006757","4.267","","4.267","","4.267","","90","","90","","90","","77.691","","","","1211","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 1211 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006758","4.276","","4.276","","4.276","","90","","90","","90","","78.183","","","","1281","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 1281 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006759","4.275","","4.275","","4.275","","90","","90","","90","","78.128","","","","1335","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 1335 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006760","4.282","","4.282","","4.282","","90","","90","","90","","78.513","","","","1446","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 1446 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006761","4.293","","4.293","","4.293","","90","","90","","90","","79.119","","","","1557","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 1557 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006762","4.303","","4.303","","4.303","","90","","90","","90","","79.674","","","","1738","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 1738 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006763","4.319","","4.319","","4.319","","90","","90","","90","","80.566","","","","1901","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 1901 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006764","4.326","","4.326","","4.326","","90","","90","","90","","80.958","","","","2036","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 2036 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006765","4.336","","4.336","","4.336","","90","","90","","90","","81.521","","","","2153","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 2153 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006766","4.343","","4.343","","4.343","","90","","90","","90","","81.916","","","","2262","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 2262 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006767","4.355","","4.355","","4.355","","90","","90","","90","","82.597","","","","2385","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: IR wire, T = 2385 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006768","4.212","","4.212","","4.212","","90","","90","","90","","74.725","","","","298","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 298 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006769","4.281","","4.281","","4.281","","90","","90","","90","","78.458","","","","1474","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 1474 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006770","4.297","","4.297","","4.297","","90","","90","","90","","79.341","","","","1664","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 1664 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006771","4.305","","4.305","","4.305","","90","","90","","90","","79.785","","","","1773","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 1773 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006772","4.31","","4.31","","4.31","","90","","90","","90","","80.063","","","","1873","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 1873 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006773","4.322","","4.322","","4.322","","90","","90","","90","","80.734","","","","1973","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 1973 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006774","4.324","","4.324","","4.324","","90","","90","","90","","80.846","","","","2073","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 2073 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006775","4.343","","4.343","","4.343","","90","","90","","90","","81.916","","","","2273","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 2273 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006776","4.352","","4.352","","4.352","","90","","90","","90","","82.426","","","","2373","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 2373 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006777","4.358","","4.358","","4.358","","90","","90","","90","","82.768","","","","2473","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 2473 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006778","4.371","","4.371","","4.371","","90","","90","","90","","83.511","","","","2573","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 2573 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006779","4.381","","4.381","","4.381","","90","","90","","90","","84.085","","","","2673","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 2673 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006780","4.396","","4.396","","4.396","","90","","90","","90","","84.952","","","","2773","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 2773 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006781","4.403","","4.403","","4.403","","90","","90","","90","","85.358","","","","2873","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 2873 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006782","4.408","","4.408","","4.408","","90","","90","","90","","85.649","","","","2973","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Fiquet, G.; Richet, P.; Montagnac, G.","High-temperature thermal expansion of lime, periclase, corundum and spinel Sample: Re wire, T = 2973 K","Physics and Chemistry of Minerals","1999","27","","103","111","10.1007/s002690050246","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006783","8.3327","","8.3327","","8.3327","","90","","90","","90","","578.572","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Magnesiochromite","- Cr2 Mg O4 -","- Cr2 Mg O4 -","- Cr16 Mg8 O32 -","8","0.0416667","","Tabira, Y.; Withers, R. L.","Cation ordering in NiAl2O4 spinel by a 111 systematic row CBED technique Sample: picrochromite","Physics and Chemistry of Minerals","1999","27","","112","118","10.1007/s002690050247","","","","","","","","","","","","","","","","","","","","","has coordinates","285044","2023-07-06","18:10:14",""
"9006784","4.2131","","4.2131","","4.2131","","90","","90","","90","","74.783","","","","300","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run1 at T = 300 K, P = 0.00 GPa, measured at beginning of the experiments","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006785","4.2136","","4.2136","","4.2136","","90","","90","","90","","74.81","","","","300","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run1 at T = 300 K, P = 0.00 GPa, measured at the end of the experiments","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006786","4.1899","","4.1899","","4.1899","","90","","90","","90","","73.555","","","","300","","","","2650000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run1 at T = 300 K, P = 2.65 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006787","4.1942","","4.1942","","4.1942","","90","","90","","90","","73.781","","","","373","","","","2680000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run1 at T = 373 K, P = 2.68 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006788","4.1988","","4.1988","","4.1988","","90","","90","","90","","74.025","","","","473","","","","2620000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run1 at T = 473 K, P = 2.62 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006789","4.2039","","4.2039","","4.2039","","90","","90","","90","","74.295","","","","573","","","","2660000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run1 at T = 573 K, P = 2.66 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006790","4.2081","","4.2081","","4.2081","","90","","90","","90","","74.517","","","","673","","","","2660000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run1 at T = 673 K, P = 2.66 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006791","4.2143","","4.2143","","4.2143","","90","","90","","90","","74.847","","","","773","","","","2610000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run1 at T = 773 K, P = 2.61 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006792","4.2202","","4.2202","","4.2202","","90","","90","","90","","75.162","","","","873","","","","2640000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run1 at T = 873 K, P = 2.64 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006793","4.2251","","4.2251","","4.2251","","90","","90","","90","","75.424","","","","973","","","","2670000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run1 at T = 973 K, P = 2.67 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006794","4.2322","","4.2322","","4.2322","","90","","90","","90","","75.805","","","","1073","","","","2630000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run1 at T = 1073 K, P = 2.63 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006795","4.2128","","4.2128","","4.2128","","90","","90","","90","","74.767","","","","300","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run2 at T = 300 K, P = 0.00 GPa, measured at beginning of the experiments","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006796","4.2133","","4.2133","","4.2133","","90","","90","","90","","74.794","","","","300","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run2 at T = 300 K, P = 0.00 GPa, measured at end of the experiments","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006797","4.1674","","4.1674","","4.1674","","90","","90","","90","","72.376","","","","300","","","","5440000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run2 at T = 300 K, P = 5.44 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006798","4.1697","","4.1697","","4.1697","","90","","90","","90","","72.496","","","","373","","","","5470000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run2 at T = 373 K, P = 5.47 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006799","4.1749","","4.1749","","4.1749","","90","","90","","90","","72.768","","","","473","","","","5440000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run2 at T = 473 K, P = 5.44 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006800","4.1801","","4.1801","","4.1801","","90","","90","","90","","73.04","","","","573","","","","5430000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run2 at T = 573 K, P = 5.43 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006801","4.1842","","4.1842","","4.1842","","90","","90","","90","","73.255","","","","673","","","","5440000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run2 at T = 673 K, P = 5.44 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006802","4.1894","","4.1894","","4.1894","","90","","90","","90","","73.528","","","","773","","","","5390000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run2 at T = 773 K, P = 5.39 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006803","4.1948","","4.1948","","4.1948","","90","","90","","90","","73.813","","","","873","","","","5420000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run2 at T = 873 K, P = 5.42 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006804","4.2005","","4.2005","","4.2005","","90","","90","","90","","74.114","","","","973","","","","5420000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run2 at T = 973 K, P = 5.42 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006805","4.2052","","4.2052","","4.2052","","90","","90","","90","","74.364","","","","1073","","","","5400000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run2 at T = 1073 K, P = 5.40 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006806","4.2126","","4.2126","","4.2126","","90","","90","","90","","74.757","","","","300","","","","0","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run3 at T = 300 K, P = 0.00 GPa, measured at beginning of the experiments","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006808","4.1451","","4.1451","","4.1451","","90","","90","","90","","71.221","","","","300","","","","8210000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run3 at T = 300 K, P = 8.21 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006809","4.1476","","4.1476","","4.1476","","90","","90","","90","","71.349","","","","373","","","","8240000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run3 at T = 373 K, P = 8.24 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006810","4.1515","","4.1515","","4.1515","","90","","90","","90","","71.551","","","","473","","","","8210000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run3 at T = 473 K, P = 8.21 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006811","4.1559","","4.1559","","4.1559","","90","","90","","90","","71.779","","","","573","","","","8250000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run3 at T = 573 K, P = 8.25 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006812","4.1605","","4.1605","","4.1605","","90","","90","","90","","72.017","","","","673","","","","8200000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run3 at T = 673 K, P = 8.20 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006813","4.1655","","4.1655","","4.1655","","90","","90","","90","","72.277","","","","773","","","","8200000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run3 at T = 773 K, P = 8.20 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006814","4.1693","","4.1693","","4.1693","","90","","90","","90","","72.475","","","","873","","","","8190000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run3 at T = 873 K, P = 8.19 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006815","4.1752","","4.1752","","4.1752","","90","","90","","90","","72.783","","","","973","","","","8210000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run3 at T = 973 K, P = 8.21 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006816","4.1789","","4.1789","","4.1789","","90","","90","","90","","72.977","","","","1073","","","","8190000","","","","","2","F m -3 m","-F 4 2 3","225","","","Periclase","- Mg O -","- Mg O -","- Mg4 O4 -","4","0.0208333","","Zhang, J.","Effect of pressure on the thermal expansion of MgO up to 8.2 GPa Sample: Run3 at T = 1073 K, P = 8.19 GPa","Physics and Chemistry of Minerals","2000","27","","145","148","10.1007/s002690050001","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006817","8.2891","","8.2891","","8.2891","","90","","90","","90","","569.537","","","","","","","","","","quenched from T = 1402 C","","Synthetic","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga2 Mg O4 -","- Ga2 Mg O4 -","- Ga16 Mg8 O32 -","8","0.0416667","","Millard, R. L.; Peterson, R. C.; Swainson, I. P.","Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8: chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine Sample: RLM808, quenched from T = 1402 C Locality: synthetic","Physics and Chemistry of Minerals","2000","27","","179","193","10.1007/s002690050006","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006818","8.2984","","8.2984","","8.2984","","90","","90","","90","","571.456","","","","","","","","","","quenched from T = 1402 C","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga1.8 Ge0.1 Mg1.1 O4 -","- Ga1.8 Ge0.1 Mg1.1 O4 -","- Ga14.4 Ge0.8 Mg8.8 O32 -","8","0.0416667","","Millard, R. L.; Peterson, R. C.; Swainson, I. P.","Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8: chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine Sample: RLM801, quenched from T = 1402 C Locality: synthetic","Physics and Chemistry of Minerals","2000","27","","179","193","10.1007/s002690050006","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006819","8.3007","","8.3007","","8.3007","","90","","90","","90","","571.932","","","","","","","","","","quenched from T = 1401 C","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga1.6 Ge0.2 Mg1.2 O4 -","- Ga1.6 Ge0.2 Mg1.2 O4 -","- Ga12.8 Ge1.6 Mg9.6 O32 -","8","0.0416667","","Millard, R. L.; Peterson, R. C.; Swainson, I. P.","Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8: chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine Sample: RLM802, quenched from T = 1401 C Locality: synthetic","Physics and Chemistry of Minerals","2000","27","","179","193","10.1007/s002690050006","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006820","8.3026","","8.3026","","8.3026","","90","","90","","90","","572.325","","","","","","","","","","quenched from T = 1400 C","","Synthetic","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga1.5 Ge0.25 Mg1.25 O4 -","- Ga1.5 Ge0.25 Mg1.25 O4 -","- Ga12 Ge2 Mg10 O32 -","8","0.0416667","","Millard, R. L.; Peterson, R. C.; Swainson, I. P.","Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8: chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine Sample: RLM813, quenched from T = 1400 C Locality: synthetic","Physics and Chemistry of Minerals","2000","27","","179","193","10.1007/s002690050006","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006821","5.8236","","11.8162","","8.3304","","90","","90","","90","","573.238","","","","","","","","","","quenched from T = 1350 C","","Synthetic","4","I m m a","-I 2b 2","74","","","","- Ga Ge0.5 Mg1.5 O4 -","- Ga Ge0.5 Mg1.5 O4 -","- Ga8 Ge4 Mg12 O32 -","8","0.5","","Millard, R. L.; Peterson, R. C.; Swainson, I. P.","Synthetic MgGa2O4-Mg2GeO4 spinel solid solution and beta-Mg3Ga2GeO8: chemistry, crystal structures, cation ordering, and comparison to Mg2GeO4 olivine Sample: RLM812, beta-Mg3Ga2GeO8 spinelloid, quenched from T = 1350 C","Physics and Chemistry of Minerals","2000","27","","179","193","10.1007/s002690050006","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006822","7.8563","","7.8563","","9.5642","","90","","90","","120","","511.229","","","","","","","","0","","","","","4","P 63","P 6c","173","","","","- H6 Mg7 O14 Si2 -","- H6 Mg7 O14 Si2 -","- H12 Mg14 O28 Si4 -","2","0.333333","","Kagi, H.; Parise, J. B.; Cho, H.; Rossman, G. R.; Loveday, J. S.","Hydrogen bonding interactions in phase A [Mg7Si2O8(OH)6] at ambient and high pressure Sample: P = 0 GPa","Physics and Chemistry of Minerals","2000","27","","225","233","10.1007/s002690050251","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006823","7.7972","","7.7972","","9.5071","","90","","90","","120","","500.56","","","","","","","","3200000","","","","","4","P 63","P 6c","173","","","","- H6 Mg7 O14 Si2 -","- H6 Mg7 O14 Si2 -","- H12 Mg14 O28 Si4 -","2","0.333333","","Kagi, H.; Parise, J. B.; Cho, H.; Rossman, G. R.; Loveday, J. S.","Hydrogen bonding interactions in phase A [Mg7Si2O8(OH)6] at ambient and high pressure Sample: P = 3.2 GPa","Physics and Chemistry of Minerals","2000","27","","225","233","10.1007/s002690050251","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006824","4.7564","","10.2283","","5.9696","","90","","90","","90","","290.42","","","","","","","","","","","","","5","P b n m","-P 2c 2ab","62","","","","- Co0.754 Ni0.792 O4 Si Zn0.454 -","- Co0.754 Ni0.792 O4 Si Zn0.454 -","- Co3.016 Ni3.168 O16 Si4 Zn1.816 -","4","0.5","","Tsukimura, K.; Sasaki, S.","Determination of cation distribution in (Co,Ni,Zn)2Si04 olivine by synchrotron X-ray diffraction","Physics and Chemistry of Minerals","2000","27","","234","241","10.1007/s002690050252","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006825","5.14","","8.911","","19.38","","90","","94.62","","90","","884.769","","","","298.15","","","","","","","","","12","C 1 2/c 1","-C 2yc","15","","","Paragonite","- Al3.07 Ba0.01 Ca0.01 Fe0.01 H2 K0.07 Mg0.02 Mn0.001 Na0.91 O12 Si2.92 Ti0.005 -","- Al3.07 Ba0.01 Ca0.01 Fe0.01 H2 K0.07 Mg0.02 Mn0.001 Na0.91 O12 Si2.92 Ti0.005 -","- Al12.28 Ba0.04 Ca0.04 Fe0.04 H8 K0.28 Mg0.08 Mn0.004 Na3.64 O48 Si11.68 Ti0.02 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","Structural thermal behavior of paragonite and its dehydroxylate: a high-temperature single-crystal study Sample 2: T = 25 C","Physics and Chemistry of Minerals","2000","27","","377","385","10.1007/s002690000085","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006826","5.152","","8.941","","19.459","","90","","94.26","","90","","893.884","","","","483.15","","","","","","","","","12","C 1 2/c 1","-C 2yc","15","","","Paragonite","- Al3.07 Ba0.01 Ca0.01 Fe0.01 H2 K0.07 Mg0.02 Mn0.001 Na0.91 O12 Si2.92 Ti0.005 -","- Al3.07 Ba0.01 Ca0.01 Fe0.01 H2 K0.07 Mg0.02 Mn0.001 Na0.91 O12 Si2.92 Ti0.005 -","- Al12.28 Ba0.04 Ca0.04 Fe0.04 H8 K0.28 Mg0.08 Mn0.004 Na3.64 O48 Si11.68 Ti0.02 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","Structural thermal behavior of paragonite and its dehydroxylate: a high-temperature single-crystal study Sample 2: T = 210 C","Physics and Chemistry of Minerals","2000","27","","377","385","10.1007/s002690000085","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006827","5.173","","8.985","","19.553","","90","","93.58","","90","","907.038","","","","723.15","","","","","","","","","12","C 1 2/c 1","-C 2yc","15","","","Paragonite","- Al3.07 Ba0.01 Ca0.01 Fe0.01 H2 K0.07 Mg0.02 Mn0.001 Na0.91 O12 Si2.92 Ti0.005 -","- Al3.07 Ba0.01 Ca0.01 Fe0.01 H2 K0.07 Mg0.02 Mn0.001 Na0.91 O12 Si2.92 Ti0.005 -","- Al12.28 Ba0.04 Ca0.04 Fe0.04 H8 K0.28 Mg0.08 Mn0.004 Na3.64 O48 Si11.68 Ti0.02 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","Structural thermal behavior of paragonite and its dehydroxylate: a high-temperature single-crystal study Sample 2: T = 450 C","Physics and Chemistry of Minerals","2000","27","","377","385","10.1007/s002690000085","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006828","5.19","","9.011","","19.603","","90","","92.96","","90","","915.552","","","","873.15","","","","","","","","","12","C 1 2/c 1","-C 2yc","15","","","Paragonite","- Al3.07 Ba0.01 Ca0.01 Fe0.01 H2 K0.07 Mg0.02 Mn0.001 Na0.91 O12 Si2.92 Ti0.005 -","- Al3.07 Ba0.01 Ca0.01 Fe0.01 H2 K0.07 Mg0.02 Mn0.001 Na0.91 O12 Si2.92 Ti0.005 -","- Al12.28 Ba0.04 Ca0.04 Fe0.04 H8 K0.28 Mg0.08 Mn0.004 Na3.64 O48 Si11.68 Ti0.02 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","Structural thermal behavior of paragonite and its dehydroxylate: a high-temperature single-crystal study Sample 2: T = 600 C","Physics and Chemistry of Minerals","2000","27","","377","385","10.1007/s002690000085","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006829","5.182","","9.117","","19.55","","90","","92.7","","90","","922.601","","","","298.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Al3 Na O11 Si3 -","- Al3 Na O11 Si3 -","- Al12 Na4 O44 Si12 -","4","0.5","","Comodi, P.; Zanazzi, P. F.","Structural thermal behavior of paragonite and its dehydroxylate: a high-temperature single-crystal study Sample: Dehydroxylate phase at T = 25 C","Physics and Chemistry of Minerals","2000","27","","377","385","10.1007/s002690000085","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:47",""
"9006830","7.3294","","7.4921","","7.4148","","90","","118.43","","90","","358.061","","","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","Barbosalite","- Fe3 H2 O10 P2 -","- Fe3 H2 O10 P2 -","- Fe6 H4 O20 P4 -","2","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Lottermoser, W.; Amthauer, G.","Structure and Mossbauer spectroscopy of barbosalite Fe2+Fe3+2(PO4)2(OH)2 between 80 K and 300 K Sample: T = 298 K","Physics and Chemistry of Minerals","2000","27","","419","429","10.1007/s002699900078","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006831","7.3065","","7.5026","","7.4105","","90","","118.49","","90","","357.033","","","","110","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","Barbosalite","- Fe3 H2 O10 P2 -","- Fe3 H2 O10 P2 -","- Fe6 H4 O20 P4 -","2","0.5","","Redhammer, G. J.; Tippelt, G.; Roth, G.; Lottermoser, W.; Amthauer, G.","Structure and Mossbauer spectroscopy of barbosalite Fe2+Fe3+2(PO4)2(OH)2 between 80 K and 300 K Sample: T = 110 K","Physics and Chemistry of Minerals","2000","27","","419","429","10.1007/s002699900078","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006832","3.5682","","3.5682","","4.8625","","90","","90","","120","","53.615","","","","","","","","500000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Nagai, T.; Ito, T.; Hattori, T.; Yamanaka, T.","Compression mechanism and amorphization of portlandite, Ca(OH)2: structural refinement under pressure Sample: P = 0.5 GPa","Physics and Chemistry of Minerals","2000","27","","462","466","10.1007/s002690000084","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:08",""
"9006833","3.5338","","3.5338","","4.712","","90","","90","","120","","50.959","","","","","","","","2400000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Nagai, T.; Ito, T.; Hattori, T.; Yamanaka, T.","Compression mechanism and amorphization of portlandite, Ca(OH)2: structural refinement under pressure Sample: P = 2.4 GPa","Physics and Chemistry of Minerals","2000","27","","462","466","10.1007/s002690000084","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:08",""
"9006834","3.5104","","3.5104","","4.6294","","90","","90","","120","","49.405","","","","","","","","4300000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Nagai, T.; Ito, T.; Hattori, T.; Yamanaka, T.","Compression mechanism and amorphization of portlandite, Ca(OH)2: structural refinement under pressure Sample: P = 4.3 GPa","Physics and Chemistry of Minerals","2000","27","","462","466","10.1007/s002690000084","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:08",""
"9006835","3.4806","","3.4806","","4.5352","","90","","90","","120","","47.581","","","","","","","","6300000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Nagai, T.; Ito, T.; Hattori, T.; Yamanaka, T.","Compression mechanism and amorphization of portlandite, Ca(OH)2: structural refinement under pressure Sample: P = 6.3 GPa","Physics and Chemistry of Minerals","2000","27","","462","466","10.1007/s002690000084","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:08",""
"9006836","3.4575","","3.4575","","4.451","","90","","90","","120","","46.08","","","","","","","","8100000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Nagai, T.; Ito, T.; Hattori, T.; Yamanaka, T.","Compression mechanism and amorphization of portlandite, Ca(OH)2: structural refinement under pressure Sample: P = 8.1 GPa","Physics and Chemistry of Minerals","2000","27","","462","466","10.1007/s002690000084","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:08",""
"9006837","3.442","","3.442","","4.4053","","90","","90","","120","","45.199","","","","","","","","9700000","","","","","3","P -3 m 1","-P 3 2""","164","","","Portlandite","- Ca H2 O2 -","- Ca H2 O2 -","- Ca H2 O2 -","1","0.0833333","","Nagai, T.; Ito, T.; Hattori, T.; Yamanaka, T.","Compression mechanism and amorphization of portlandite, Ca(OH)2: structural refinement under pressure Sample: P = 9.7 GPa","Physics and Chemistry of Minerals","2000","27","","462","466","10.1007/s002690000084","","","","","","","","","","","","","","","","","","","","","has coordinates","301881","2025-08-23","00:12:08",""
"9006838","5.316","","8.892","","6.428","","90","","90","","90","","303.851","","","","","","","","0","","","","","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 0.00 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006839","5.3","","8.868","","6.318","","90","","90","","90","","296.949","","","","","","","","1260000","","","","","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 1.26 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006840","5.292","","8.856","","6.246","","90","","90","","90","","292.725","","","","","","","","1980000","","","","","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 1.98 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006841","5.282","","8.843","","6.148","","90","","90","","90","","287.165","","","","","","","","2950000","","","","","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 2.95 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006842","5.274","","8.838","","6.06","","90","","90","","90","","282.466","","","","","","","","3940000","","","","","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 3.94 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006843","5.269","","8.838","","5.999","","90","","90","","90","","279.358","","","","","","","","4560000","","","","","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 4.56 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006844","5.26","","8.846","","5.895","","90","","90","","90","","274.294","","","","","","","","5500000","","","","","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 5.50 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006845","5.255","","8.852","","5.838","","90","","90","","90","","271.568","","","","","","","","6200000","","","","","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 6.20 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006846","5.251","","8.868","","5.762","","90","","90","","90","","268.313","","","","","","","","7050000","","","","","3","P m c n","-P 2n 2a","62","","","Witherite","- C Ba O3 -","- C Ba O3 -","- C4 Ba4 O12 -","4","0.5","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 7.05 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006847","5.258","","5.258","","5.64","","90","","90","","120","","135.036","","","","","","","","7200000","","","","","3","P -3 1 c","-P 3 2c","163","","","Witherite","- C Ba O3 -","- C0.5 Ba0.5 O1.5 -","- C2 Ba2 O6 -","4","0.333333","","Holl, C. M.; Smyth, J. R.; Laustsen, H. M. S.; Jacobsen, S. D.; Downs, R. T.","Compression of witherite to 8 GPa and the crystal structure of BaCO3 II Sample: P = 7.2 GPa","Physics and Chemistry of Minerals","2000","27","","467","473","10.1007/s002690000087","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006848","8.0693","","8.0693","","8.0693","","90","","90","","90","","525.421","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","Ringwoodite","- H0.3 Mg1.89 O4 Si0.98 -","- Mg1.89 O4 Si0.98 -","- Mg15.12 O32 Si7.84 -","8","0.0416667","","Kudoh, Y.; Kuribayashi, T.; Mizobata, H.; Ohtami, E.","Structure and cation disorder of hydrous ringwoodite, gamma-Mg1.89Si0.98H0.30O4","Physics and Chemistry of Minerals","2000","27","","474","479","10.1007/s002690000091","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9006849","4.3966","","4.3966","","2.8626","","90","","90","","90","","55.334","","","","","","","","0","","","","","2","P 42/m n m","-P 4n 2n","136","","","Argutite","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.125","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 0 GPa","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006850","4.3751","","4.3751","","2.8511","","90","","90","","90","","54.574","","","","","","","","4200000","","","","","2","P 42/m n m","-P 4n 2n","136","","","Argutite","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.125","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 4.2 GPa","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006851","4.3553","","4.3553","","2.8463","","90","","90","","90","","53.99","","","","","","","","6200000","","","","","2","P 42/m n m","-P 4n 2n","136","","","Argutite","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.125","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 6.2 GPa","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006852","4.3417","","4.3417","","2.8407","","90","","90","","90","","53.548","","","","","","","","8900000","","","","","2","P 42/m n m","-P 4n 2n","136","","","Argutite","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.125","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 8.9 GPa","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006853","4.334","","4.334","","2.8376","","90","","90","","90","","53.3","","","","","","","","10400000","","","","","2","P 42/m n m","-P 4n 2n","136","","","Argutite","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.125","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 10.4 GPa","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006854","4.3349","","4.3349","","2.8424","","90","","90","","90","","53.413","","","","","","","","10500000","","","","","2","P 42/m n m","-P 4n 2n","136","","","Argutite","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.125","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 10.5 GPa","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006855","4.298","","4.298","","2.8295","","90","","90","","90","","52.269","","","","","","","","16100000","","","","","2","P 42/m n m","-P 4n 2n","136","","","Argutite","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.125","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 16.1 GPa","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006856","4.2835","","4.2835","","2.8193","","90","","90","","90","","51.73","","","","","","","","20300000","","","","","2","P 42/m n m","-P 4n 2n","136","","","Argutite","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.125","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 20.3 GPa","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006857","4.263","","4.263","","2.8148","","90","","90","","90","","51.154","","","","","","","","25000000","","","","","2","P 42/m n m","-P 4n 2n","136","","","Argutite","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.125","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: rutile-type, P = 25 GPa","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006858","4.2841","","4.2098","","2.8089","","90","","90","","90","","50.659","","","","","","","","28000000","","","","","2","P n n m","-P 2 2n","58","","","","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.25","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: CaCl2-type, post-argutite, P = 28 GPa","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006859","4.2852","","4.1959","","2.8062","","90","","90","","90","","50.456","","","","","","","","29000000","","","","","2","P n n m","-P 2 2n","58","","","","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.25","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: CaCl2-type, post-argutite, P = 29 GPa","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006860","4.2866","","4.1742","","2.7995","","90","","90","","90","","50.092","","","","","","","","32000000","","","","","2","P n n m","-P 2 2n","58","","","","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.25","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: CaCl2-type, post-argutite, P = 32 GPa","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006861","4.2834","","4.1508","","2.7941","","90","","90","","90","","49.678","","","","","","","","35000000","","","","","2","P n n m","-P 2 2n","58","","","","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.25","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: CaCl2-type, post-argutite, P = 35 GPa Note: O y-coordinate altered from the reported value","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006862","4.2814","","4.1424","","2.7919","","90","","90","","90","","49.515","","","","","","","","36000000","","","","","2","P n n m","-P 2 2n","58","","","","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.25","","Haines, J.; Leger, J. M.; Chateau, C.; Pereira, A. S.","Structural evolution of rutile-type and CaCl2-type germanium dioxide at high pressure Sample: CaCl2-type, post-argutite, P = 36 GPa","Physics and Chemistry of Minerals","2000","27","","575","582","10.1007/s002690000092","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006863","5.49755","","5.49755","","7.7881","","90","","90","","90","","235.38","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","Tausonite","- La0.25 Na0.25 O3 Sr0.5 Ti -","- La0.25 Na0.25 O3 Sr0.5 Ti -","- La Na O12 Sr2 Ti4 -","4","0.125","","Mitchell, R. H.; Chakhmouradian, A. R.; Woodward, P. M.","Crystal chemistry of perovskite-type compounds in the tausonite-loparite series, (Sr1-2xNaxLax)TiO3 Sample: synchrotron XRD data","Physics and Chemistry of Minerals","2000","27","","583","589","10.1007/s002690000103","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006864","3.90528","","3.90528","","3.90528","","90","","90","","90","","59.56","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","","Tausonite","- O3 Sr Ti -","- O3 Sr Ti -","- O3 Sr Ti -","1","0.0208333","","Mitchell, R. H.; Chakhmouradian, A. R.; Woodward, P. M.","Crystal chemistry of perovskite-type compounds in the tausonite-loparite series, (Sr1-2xNaxLax)TiO3 Sample: x = 0.00","Physics and Chemistry of Minerals","2000","27","","583","589","10.1007/s002690000103","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006865","3.90427","","3.90427","","3.90427","","90","","90","","90","","59.514","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","Tausonite","- La0.05 Na0.05 O3 Sr0.9 Ti -","- La0.05 Na0.05 O3 Sr0.9 Ti -","- La0.05 Na0.05 O3 Sr0.9 Ti -","1","0.0208333","","Mitchell, R. H.; Chakhmouradian, A. R.; Woodward, P. M.","Crystal chemistry of perovskite-type compounds in the tausonite-loparite series, (Sr1-2xNaxLax)TiO3 Sample: x = 0.05","Physics and Chemistry of Minerals","2000","27","","583","589","10.1007/s002690000103","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006866","3.9017","","3.9017","","3.9017","","90","","90","","90","","59.397","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","","Tausonite","- La0.1 Na0.1 O3 Sr0.8 Ti -","- La0.1 Na0.1 O3 Sr0.8 Ti -","- La0.1 Na0.1 O3 Sr0.8 Ti -","1","0.0208333","","Mitchell, R. H.; Chakhmouradian, A. R.; Woodward, P. M.","Crystal chemistry of perovskite-type compounds in the tausonite-loparite series, (Sr1-2xNaxLax)TiO3 Sample: x = 0.10","Physics and Chemistry of Minerals","2000","27","","583","589","10.1007/s002690000103","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006867","5.5116","","5.5116","","7.8036","","90","","90","","90","","237.056","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","Tausonite","- La0.15 Na0.15 O3 Sr0.7 Ti -","- La0.15 Na0.15 O3 Sr0.7 Ti -","- La0.6 Na0.6 O12 Sr2.8 Ti4 -","4","0.125","","Mitchell, R. H.; Chakhmouradian, A. R.; Woodward, P. M.","Crystal chemistry of perovskite-type compounds in the tausonite-loparite series, (Sr1-2xNaxLax)TiO3 Sample: x = 0.15","Physics and Chemistry of Minerals","2000","27","","583","589","10.1007/s002690000103","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006868","5.5073","","5.5073","","7.8018","","90","","90","","90","","236.631","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","Tausonite","- La0.2 Na0.2 O3 Sr0.6 Ti -","- La0.2 Na0.2 O3 Sr0.6 Ti -","- La0.8 Na0.8 O12 Sr2.4 Ti4 -","4","0.125","","Mitchell, R. H.; Chakhmouradian, A. R.; Woodward, P. M.","Crystal chemistry of perovskite-type compounds in the tausonite-loparite series, (Sr1-2xNaxLax)TiO3 Sample: x = 0.20","Physics and Chemistry of Minerals","2000","27","","583","589","10.1007/s002690000103","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006869","5.5016","","5.5016","","7.7976","","90","","90","","90","","236.015","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","Tausonite","- La0.25 Na0.25 O3 Sr0.5 Ti -","- La0.25 Na0.25 O3 Sr0.5 Ti -","- La Na O12 Sr2 Ti4 -","4","0.125","","Mitchell, R. H.; Chakhmouradian, A. R.; Woodward, P. M.","Crystal chemistry of perovskite-type compounds in the tausonite-loparite series, (Sr1-2xNaxLax)TiO3 Sample: x = 0.25","Physics and Chemistry of Minerals","2000","27","","583","589","10.1007/s002690000103","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006870","5.5025","","5.5025","","7.7701","","90","","90","","90","","235.259","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","Loparite","- La0.3 Na0.3 O3 Sr0.4 Ti -","- La0.3 Na0.3 O3 Sr0.4 Ti -","- La1.2 Na1.2 O12 Sr1.6 Ti4 -","4","0.125","","Mitchell, R. H.; Chakhmouradian, A. R.; Woodward, P. M.","Crystal chemistry of perovskite-type compounds in the tausonite-loparite series, (Sr1-2xNaxLax)TiO3 Sample: x = 0.30","Physics and Chemistry of Minerals","2000","27","","583","589","10.1007/s002690000103","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006871","5.4912","","5.4912","","7.7839","","90","","90","","90","","234.71","","","","","","","","","","","","","5","I 4/m c m","-I 4 2c","140","","","Loparite","- La0.35 Na0.35 O3 Sr0.3 Ti -","- La0.35 Na0.35 O3 Sr0.3 Ti -","- La1.4 Na1.4 O12 Sr1.2 Ti4 -","4","0.125","","Mitchell, R. H.; Chakhmouradian, A. R.; Woodward, P. M.","Crystal chemistry of perovskite-type compounds in the tausonite-loparite series, (Sr1-2xNaxLax)TiO3 Sample: x = 0.35","Physics and Chemistry of Minerals","2000","27","","583","589","10.1007/s002690000103","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006872","5.4882","","5.4882","","13.442","","90","","90","","120","","350.634","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","Loparite","- La0.4 Na0.4 O3 Sr0.2 Ti -","- La0.4 Na0.4 O3 Sr0.2 Ti -","- La2.4 Na2.4 O18 Sr1.2 Ti6 -","6","0.166667","","Mitchell, R. H.; Chakhmouradian, A. R.; Woodward, P. M.","Crystal chemistry of perovskite-type compounds in the tausonite-loparite series, (Sr1-2xNaxLax)TiO3 Sample: x = 0.40","Physics and Chemistry of Minerals","2000","27","","583","589","10.1007/s002690000103","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006873","5.4855","","5.4855","","13.44","","90","","90","","120","","350.237","","","","","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","Loparite","- La0.45 Na0.45 O3 Sr0.1 Ti -","- La0.45 Na0.45 O3 Sr0.1 Ti -","- La2.7 Na2.7 O18 Sr0.6 Ti6 -","6","0.166667","","Mitchell, R. H.; Chakhmouradian, A. R.; Woodward, P. M.","Crystal chemistry of perovskite-type compounds in the tausonite-loparite series, (Sr1-2xNaxLax)TiO3 Sample: x = 0.45","Physics and Chemistry of Minerals","2000","27","","583","589","10.1007/s002690000103","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006874","5.482","","5.482","","13.4104","","90","","90","","120","","349.02","","","","","","","","","","","","","4","R -3 c :H","-R 3 2""c","167","","","Loparite","- La0.5 Na0.5 O3 Ti -","- La0.5 Na0.5 O3 Ti -","- La3 Na3 O18 Ti6 -","6","0.166667","","Mitchell, R. H.; Chakhmouradian, A. R.; Woodward, P. M.","Crystal chemistry of perovskite-type compounds in the tausonite-loparite series, (Sr1-2xNaxLax)TiO3 Sample: x = 0.50","Physics and Chemistry of Minerals","2000","27","","583","589","10.1007/s002690000103","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006875","4.8025","","10.3648","","6.0529","","90","","90","","90","","301.295","","","","373.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe Mg O4 Si -","- Fe Mg O4 Si -","- Fe4 Mg4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Artioli, G.; Rinaldi, R.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","Octahedral cation ordering in olivine at high temperature. II: an in situ neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) Sample: T = 100 C","Physics and Chemistry of Minerals","2000","27","","630","637","10.1007/s002690000109","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006876","4.8065","","10.3759","","6.0609","","90","","90","","90","","302.268","","","","473.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe Mg O4 Si -","- Fe Mg O4 Si -","- Fe4 Mg4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Artioli, G.; Rinaldi, R.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","Octahedral cation ordering in olivine at high temperature. II: an in situ neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) Sample: T = 200 C","Physics and Chemistry of Minerals","2000","27","","630","637","10.1007/s002690000109","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006877","4.8106","","10.3863","","6.0682","","90","","90","","90","","303.194","","","","573.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe Mg O4 Si -","- Fe Mg O4 Si -","- Fe4 Mg4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Artioli, G.; Rinaldi, R.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","Octahedral cation ordering in olivine at high temperature. II: an in situ neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) Sample: T = 300 C","Physics and Chemistry of Minerals","2000","27","","630","637","10.1007/s002690000109","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006878","4.8126","","10.3916","","6.0721","","90","","90","","90","","303.669","","","","623.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe Mg O4 Si -","- Fe Mg O4 Si -","- Fe4 Mg4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Artioli, G.; Rinaldi, R.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","Octahedral cation ordering in olivine at high temperature. II: an in situ neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) Sample: T = 350 C","Physics and Chemistry of Minerals","2000","27","","630","637","10.1007/s002690000109","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006879","4.8147","","10.3971","","6.076","","90","","90","","90","","304.158","","","","673.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe Mg O4 Si -","- Fe Mg O4 Si -","- Fe4 Mg4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Artioli, G.; Rinaldi, R.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","Octahedral cation ordering in olivine at high temperature. II: an in situ neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) Sample: T = 400 C","Physics and Chemistry of Minerals","2000","27","","630","637","10.1007/s002690000109","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006880","4.8168","","10.4029","","6.08","","90","","90","","90","","304.661","","","","723.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe Mg O4 Si -","- Fe Mg O4 Si -","- Fe4 Mg4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Artioli, G.; Rinaldi, R.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","Octahedral cation ordering in olivine at high temperature. II: an in situ neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) Sample: T = 450 C","Physics and Chemistry of Minerals","2000","27","","630","637","10.1007/s002690000109","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006881","4.819","","10.4091","","6.0841","","90","","90","","90","","305.187","","","","773.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe Mg O4 Si -","- Fe Mg O4 Si -","- Fe4 Mg4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Artioli, G.; Rinaldi, R.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","Octahedral cation ordering in olivine at high temperature. II: an in situ neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) Sample: T = 500 C","Physics and Chemistry of Minerals","2000","27","","630","637","10.1007/s002690000109","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006882","4.8212","","10.4148","","6.0882","","90","","90","","90","","305.7","","","","823.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe Mg O4 Si -","- Fe Mg O4 Si -","- Fe4 Mg4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Artioli, G.; Rinaldi, R.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","Octahedral cation ordering in olivine at high temperature. II: an in situ neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) Sample: T = 550 C","Physics and Chemistry of Minerals","2000","27","","630","637","10.1007/s002690000109","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006883","4.8233","","10.4211","","6.0923","","90","","90","","90","","306.224","","","","873.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe Mg O4 Si -","- Fe Mg O4 Si -","- Fe4 Mg4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Artioli, G.; Rinaldi, R.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","Octahedral cation ordering in olivine at high temperature. II: an in situ neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) Sample: T = 600 C","Physics and Chemistry of Minerals","2000","27","","630","637","10.1007/s002690000109","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006884","4.8276","","10.4332","","6.1001","","90","","90","","90","","307.246","","","","973.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe Mg O4 Si -","- Fe Mg O4 Si -","- Fe4 Mg4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Artioli, G.; Rinaldi, R.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","Octahedral cation ordering in olivine at high temperature. II: an in situ neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) Sample: T = 700 C","Physics and Chemistry of Minerals","2000","27","","630","637","10.1007/s002690000109","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006885","4.8321","","10.4453","","6.1078","","90","","90","","90","","308.277","","","","1073.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe Mg O4 Si -","- Fe Mg O4 Si -","- Fe4 Mg4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Artioli, G.; Rinaldi, R.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","Octahedral cation ordering in olivine at high temperature. II: an in situ neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) Sample: T = 800 C","Physics and Chemistry of Minerals","2000","27","","630","637","10.1007/s002690000109","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006886","4.8341","","10.4515","","6.1115","","90","","90","","90","","308.775","","","","1123.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe Mg O4 Si -","- Fe Mg O4 Si -","- Fe4 Mg4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Artioli, G.; Rinaldi, R.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","Octahedral cation ordering in olivine at high temperature. II: an in situ neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) Sample: T = 850 C","Physics and Chemistry of Minerals","2000","27","","630","637","10.1007/s002690000109","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006887","4.8363","","10.4582","","6.1155","","90","","90","","90","","309.316","","","","1173.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe Mg O4 Si -","- Fe Mg O4 Si -","- Fe4 Mg4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Artioli, G.; Rinaldi, R.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","Octahedral cation ordering in olivine at high temperature. II: an in situ neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) Sample: T = 900 C","Physics and Chemistry of Minerals","2000","27","","630","637","10.1007/s002690000109","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006888","4.8426","","10.481","","6.1284","","90","","90","","90","","311.049","","","","1323.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe Mg O4 Si -","- Fe Mg O4 Si -","- Fe4 Mg4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Artioli, G.; Rinaldi, R.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","Octahedral cation ordering in olivine at high temperature. II: an in situ neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) Sample: T = 1050 C","Physics and Chemistry of Minerals","2000","27","","630","637","10.1007/s002690000109","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006889","4.8472","","10.4955","","6.1368","","90","","90","","90","","312.202","","","","1423.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe Mg O4 Si -","- Fe Mg O4 Si -","- Fe4 Mg4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Artioli, G.; Rinaldi, R.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","Octahedral cation ordering in olivine at high temperature. II: an in situ neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) Sample: T = 1150 C","Physics and Chemistry of Minerals","2000","27","","630","637","10.1007/s002690000109","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006890","4.8488","","10.5009","","6.1399","","90","","90","","90","","312.624","","","","1473.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe Mg O4 Si -","- Fe Mg O4 Si -","- Fe4 Mg4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Artioli, G.; Rinaldi, R.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","Octahedral cation ordering in olivine at high temperature. II: an in situ neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) Sample: T = 1200 C","Physics and Chemistry of Minerals","2000","27","","630","637","10.1007/s002690000109","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006891","4.8494","","10.5023","","6.1409","","90","","90","","90","","312.755","","","","1498.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe Mg O4 Si -","- Fe Mg O4 Si -","- Fe4 Mg4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Artioli, G.; Rinaldi, R.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","Octahedral cation ordering in olivine at high temperature. II: an in situ neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) Sample: T = 1225 C","Physics and Chemistry of Minerals","2000","27","","630","637","10.1007/s002690000109","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006892","4.8497","","10.5034","","6.1418","","90","","90","","90","","312.853","","","","1523.15","","","","","","","","","4","P b n m","-P 2c 2ab","62","","","Olivine","- Fe Mg O4 Si -","- Fe Mg O4 Si -","- Fe4 Mg4 O16 Si4 -","4","0.5","","Redfern, S. A. T.; Artioli, G.; Rinaldi, R.; Henderson, C. M. B.; Knight, K. S.; Wood, B. J.","Octahedral cation ordering in olivine at high temperature. II: an in situ neutron powder diffraction study on synthetic MgFeSiO4 (Fa50) Sample: T = 1250 C","Physics and Chemistry of Minerals","2000","27","","630","637","10.1007/s002690000109","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006893","8.4412","","8.4412","","8.4412","","90","","90","","90","","601.468","","","","","","","","0","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Hanfland, M.","Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) at high pressure, from synchrotron X-ray powder diffraction Sample: P = 0.0 GPa","Physics and Chemistry of Minerals","2000","27","","638","644","10.1007/s002690000117","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006894","8.4129","","8.4129","","8.4129","","90","","90","","90","","595.439","","","","","","","","1800000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Hanfland, M.","Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) at high pressure, from synchrotron X-ray powder diffraction Sample: P = 1.8 GPa","Physics and Chemistry of Minerals","2000","27","","638","644","10.1007/s002690000117","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006895","8.3731","","8.3731","","8.3731","","90","","90","","90","","587.028","","","","","","","","4600000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Hanfland, M.","Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) at high pressure, from synchrotron X-ray powder diffraction Sample: P = 4.6 GPa","Physics and Chemistry of Minerals","2000","27","","638","644","10.1007/s002690000117","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006896","8.3603","","8.3603","","8.3603","","90","","90","","90","","584.34","","","","","","","","5500000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Hanfland, M.","Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) at high pressure, from synchrotron X-ray powder diffraction Sample: P = 5.5 GPa","Physics and Chemistry of Minerals","2000","27","","638","644","10.1007/s002690000117","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006897","8.347","","8.347","","8.347","","90","","90","","90","","581.556","","","","","","","","6800000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Hanfland, M.","Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) at high pressure, from synchrotron X-ray powder diffraction Sample: P = 6.8 GPa","Physics and Chemistry of Minerals","2000","27","","638","644","10.1007/s002690000117","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006898","8.3177","","8.3177","","8.3177","","90","","90","","90","","575.453","","","","","","","","9000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Hanfland, M.","Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) at high pressure, from synchrotron X-ray powder diffraction Sample: P = 9.0 GPa","Physics and Chemistry of Minerals","2000","27","","638","644","10.1007/s002690000117","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006899","8.3069","","8.3069","","8.3069","","90","","90","","90","","573.214","","","","","","","","10200000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Hanfland, M.","Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) at high pressure, from synchrotron X-ray powder diffraction Sample: P = 10.2 GPa","Physics and Chemistry of Minerals","2000","27","","638","644","10.1007/s002690000117","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006900","8.2884","","8.2884","","8.2884","","90","","90","","90","","569.393","","","","","","","","11500000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Hanfland, M.","Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) at high pressure, from synchrotron X-ray powder diffraction Sample: P = 11.5 GPa","Physics and Chemistry of Minerals","2000","27","","638","644","10.1007/s002690000117","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006901","8.2719","","8.2719","","8.2719","","90","","90","","90","","565.999","","","","","","","","12900000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Hanfland, M.","Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) at high pressure, from synchrotron X-ray powder diffraction Sample: P = 12.9 GPa","Physics and Chemistry of Minerals","2000","27","","638","644","10.1007/s002690000117","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006902","8.2634","","8.2634","","8.2634","","90","","90","","90","","564.256","","","","","","","","14200000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Hanfland, M.","Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) at high pressure, from synchrotron X-ray powder diffraction Sample: P = 14.2 GPa","Physics and Chemistry of Minerals","2000","27","","638","644","10.1007/s002690000117","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006903","8.244","","8.244","","8.244","","90","","90","","90","","560.291","","","","","","","","16000000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Hanfland, M.","Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) at high pressure, from synchrotron X-ray powder diffraction Sample: P = 16.0 GPa","Physics and Chemistry of Minerals","2000","27","","638","644","10.1007/s002690000117","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006904","8.2289","","8.2289","","8.2289","","90","","90","","90","","557.218","","","","","","","","17800000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Hanfland, M.","Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) at high pressure, from synchrotron X-ray powder diffraction Sample: P = 17.8 GPa","Physics and Chemistry of Minerals","2000","27","","638","644","10.1007/s002690000117","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006905","8.2151","","8.2151","","8.2151","","90","","90","","90","","554.42","","","","","","","","19700000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Hanfland, M.","Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) at high pressure, from synchrotron X-ray powder diffraction Sample: P = 19.7 GPa","Physics and Chemistry of Minerals","2000","27","","638","644","10.1007/s002690000117","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006906","8.1939","","8.1939","","8.1939","","90","","90","","90","","550.138","","","","","","","","22100000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Hanfland, M.","Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) at high pressure, from synchrotron X-ray powder diffraction Sample: P = 22.1 GPa","Physics and Chemistry of Minerals","2000","27","","638","644","10.1007/s002690000117","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006907","8.1758","","8.1758","","8.1758","","90","","90","","90","","546.501","","","","","","","","24400000","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","Franklinite","- Fe2 O4 Zn -","- Fe2 O4 Zn -","- Fe16 O32 Zn8 -","8","0.0416667","","Levy, D.; Pavese, A.; Hanfland, M.","Phase transition of synthetic zinc ferrite spinel (ZnFe2O4) at high pressure, from synchrotron X-ray powder diffraction Sample: P = 24.4 GPa","Physics and Chemistry of Minerals","2000","27","","638","644","10.1007/s002690000117","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006908","4.7134","","4.2241","","2.83252","","90","","90","","90","","56.395","","","","","","","","","","synthesized at 21 GPa and 1000 C","synthesized at 21 GPa","","3","P 21 n m","P -2 2ac","31","","","","- Al H O2 -","- Al H O2 -","- Al2 H2 O4 -","2","0.5","","Suzuki, A.; Ohtani, E.; Kamada, T.","A new hydrous phase delta-AlOOH synthesized at 21 GPa and 1000 C","Physics and Chemistry of Minerals","2000","27","","689","693","10.1007/s002690000120","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006909","5.4744","","5.4766","","9.1505","","83.53","","76.68","","60.06","","231.335","","","","","","","","","","","","","7","P -1","-P 1","2","","","Chloritoid","- Al3.844 Fe0.857 H4 Mg0.598 Mn0.701 O14 Si2 -","- Al3.844 Fe0.857 H4 Mg0.598 Mn0.701 O14 Si2 -","- Al3.844 Fe0.857 H4 Mg0.598 Mn0.701 O14 Si2 -","1","0.5","","Koch-Muller M; Kahlenberg, V.; Schmidt, C.; Wirth, R.","Location of OH groups and oxidation processes in triclinic chloritoid","Physics and Chemistry of Minerals","2000","27","","703","712","10.1007/s002690000114","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006910","9.4628","","8.3882","","5.2186","","90","","110.187","","90","","388.785","","","","","","","","0","","","","","4","C 1 2/c 1","-C 2yc","15","","","Spodumene","- Al Li O6 Si2 -","- Al Li O6 Si2 -","- Al4 Li4 O24 Si8 -","4","0.5","","Arlt, T.; Angel, R. J.","Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 0 GPa","Physics and Chemistry of Minerals","2000","27","","719","731","10.1007/s002690000116","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006911","9.3895","","8.324","","5.1865","","90","","110.023","","90","","380.865","","","","","","","","3164000","","","","","4","C 1 2/c 1","-C 2yc","15","","","Spodumene","- Al Li O6 Si2 -","- Al Li O6 Si2 -","- Al4 Li4 O24 Si8 -","4","0.5","","Arlt, T.; Angel, R. J.","Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 3.164 GPa","Physics and Chemistry of Minerals","2000","27","","719","731","10.1007/s002690000116","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006912","9.3114","","8.3614","","5.11","","90","","109.274","","90","","375.547","","","","","","","","3342000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Spodumene","- Al Li O6 Si2 -","- Al Li O6 Si2 -","- Al4 Li4 O24 Si8 -","4","1","","Arlt, T.; Angel, R. J.","Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 3.342 GPa","Physics and Chemistry of Minerals","2000","27","","719","731","10.1007/s002690000116","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006913","9.2007","","8.2656","","5.024","","90","","108.91","","90","","361.451","","","","","","","","8835000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Spodumene","- Al Li O6 Si2 -","- Al Li O6 Si2 -","- Al4 Li4 O24 Si8 -","4","1","","Arlt, T.; Angel, R. J.","Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 8.835 GPa","Physics and Chemistry of Minerals","2000","27","","719","731","10.1007/s002690000116","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006914","9.7969","","8.9459","","5.3581","","90","","110.376","","90","","440.212","","","","","","","","0","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Li O6 Sc Si2 -","- Li O6 Sc Si2 -","- Li4 O24 Sc4 Si8 -","4","0.5","","Arlt, T.; Angel, R. J.","Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 0 GPa","Physics and Chemistry of Minerals","2000","27","","719","731","10.1007/s002690000116","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006915","9.6937","","8.8958","","5.3047","","90","","109.992","","90","","429.876","","","","","","","","2113000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Li O6 Sc Si2 -","- Li O6 Sc Si2 -","- Li4 O24 Sc4 Si8 -","4","1","","Arlt, T.; Angel, R. J.","Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 2.113 GPa","Physics and Chemistry of Minerals","2000","27","","719","731","10.1007/s002690000116","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006916","9.5954","","8.8304","","5.2448","","90","","109.601","","90","","418.646","","","","","","","","4804000","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Li O6 Sc Si2 -","- Li O6 Sc Si2 -","- Li4 O24 Sc4 Si8 -","4","1","","Arlt, T.; Angel, R. J.","Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 4.804 GPa","Physics and Chemistry of Minerals","2000","27","","719","731","10.1007/s002690000116","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006917","9.7633","","9.1598","","5.2889","","90","","111.294","","90","","440.695","","","","","","","","321000","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- O3 Si Zn -","- O3 Si Zn -","- O24 Si8 Zn8 -","8","1","","Arlt, T.; Angel, R. J.","Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = .321 GPa","Physics and Chemistry of Minerals","2000","27","","719","731","10.1007/s002690000116","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006918","9.5781","","8.8905","","5.1798","","90","","109.443","","90","","415.928","","","","","","","","4258000","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O3 Si Zn -","- O3 Si Zn -","- O24 Si8 Zn8 -","8","2","","Arlt, T.; Angel, R. J.","Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 4.258 GPa","Physics and Chemistry of Minerals","2000","27","","719","731","10.1007/s002690000116","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9006919","9.4098","","8.8327","","4.98","","90","","103.906","","90","","401.776","","","","","","","","5304000","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- O3 Si Zn -","- O3 Si Zn -","- O24 Si8 Zn8 -","8","1","","Arlt, T.; Angel, R. J.","Displacive phase transitions in C-centred clinopyroxenes: spodumene, LiScSi2O6 and ZnSiO3 Sample: P = 5.304 GPa","Physics and Chemistry of Minerals","2000","27","","719","731","10.1007/s002690000116","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:03",""
"9007518","5.9745","","15.434","","6.2797","","90","","114.83","","90","","525.525","","","","","","","","","","","","Andreasberg, Harz Mts, Lower Saxony, Germany","4","I 1 a 1","I -2ya","9","","","Pharmacolite","- As Ca H5 O6 -","- As Ca H5 O6 -","- As4 Ca4 H20 O24 -","4","1","","Ferraris, G.; Jones, D. W.; Yerkess, J.","Determination of hydrogen atom positions in the crystal structure of pharmacolite, CaHAsO4(H2O)2, by neutron diffraction","Acta Crystallographica, Section B","1971","27","","349","354","10.1107/S0567740871002206","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9007519","18.331","","9.012","","5.949","","90","","90","","90","","982.769","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","Ylid","- C11 H10 O2 S -","- C11 H10 O2 S -","- C44 H40 O8 S4 -","4","1","","Christensen, A. T.; Thom, E.","The crystal structure of 2-dimenthylsulfuranylidene-1,3-indanedione","Acta Crystallographica, Section B","1971","27","","581","586","10.1107/S0567740871002590","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007520","9.4157","","9.4233","","9.4047","","90","","90","","90","","834.45","","","","","","","","","","","","","2","P c a b","-P 2bc 2ac","61","","","","- Mn2 O3 -","- Mn2 O3 -","- Mn32 O48 -","16","2","","Geller, S.","Structures of alpha-Mn203, (MnO.983Fe0.017)203 and (Mn0.37Fe0.63)2O3 and relation to magnetic ordering","Acta Crystallographica, Section B","1971","27","","821","828","10.1107/S0567740871002966","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007521","9.4146","","9.4146","","9.4146","","90","","90","","90","","834.46","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","Bixbyite","- Fe0.034 Mn1.966 O3 -","- Fe0.034 Mn1.966 O3 -","- Fe0.544 Mn31.456 O48 -","16","0.333333","","Geller, S.","Structures of alpha-Mn203, (MnO.983Fe0.017)203 and (Mn0.37Fe0.63)2O3 and relation to magnetic ordering Sample: (MnO.983Fe0.017)203","Acta Crystallographica, Section B","1971","27","","821","828","10.1107/S0567740871002966","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007522","9.4126","","9.4126","","9.4126","","90","","90","","90","","833.928","","","","","","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","Bixbyite","- Fe1.26 Mn0.74 O3 -","- Fe1.26 Mn0.74 O3 -","- Fe20.16 Mn11.84 O48 -","16","0.333333","","Geller, S.","Structures of alpha-Mn203, (MnO.983Fe0.017)203 and (Mn0.37Fe0.63)2O3 and relation to magnetic ordering Sample: (Mn0.37Fe0.63)2O3","Acta Crystallographica, Section B","1971","27","","821","828","10.1107/S0567740871002966","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007523","11.526","","11.526","","13.589","","90","","90","","120","","1563.42","","","","","","","","","","","","Synthetic","4","R 3 c :H","R 3 -2""c","161","","","Acetamide","- C2 H5 N O -","- C2 H5 N O -","- C36 H90 N18 O18 -","18","1","","Denne, W. A.; Small, R. W. H.","A refinement of the structure of rhombohedral acetamide","Acta Crystallographica, Section B","1971","27","","1094","1098","10.1107/S0567740871003583","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007524","11.608","","4.0279","","11.275","","90","","90","","90","","527.172","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","Aikinite","- Bi Cu Pb S3 -","- Bi Cu Pb S3 -","- Bi4 Cu4 Pb4 S12 -","4","0.5","","Kohatsu, I.; Wuensch, B. J.","The crystal structure of aikinite, PbCuBiS3 Note: B(3,3) altered for Pb and Cu, in order to reproduce Biso","Acta Crystallographica, Section B","1971","27","","1245","1252","10.1107/S0567740871003819","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007525","7.437","","5.664","","18.843","","90","","101.38","","90","","778.122","","","","","","","","","","","","Kangerdluarsuk, Greenland","12","P 1 21/c 1","-P 2ybc","14","","","Rinkite","- Al0.089 Ca3.368 Ce1.048 F3 Fe0.212 K0.064 Na2.178 Nb0.327 O15 Si4 Ti0.515 Zr0.069 -","- Al0.089 Ca3.368 Ce1.048 F3 Fe0.212 K0.064 Na2.178 Nb0.327 O15 Si4 Ti0.515 Zr0.069 -","- Al0.178 Ca6.736 Ce2.096 F6 Fe0.424 K0.128 Na4.356 Nb0.654 O30 Si8 Ti1.03 Zr0.138 -","2","0.5","","Galli, E.; Alberti, A.","The crystal structure of rinkite","Acta Crystallographica, Section B","1971","27","","1277","1284","10.1107/S056774087100387X","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007526","7.0069","","7.0069","","6.4637","","90","","90","","90","","317.346","","","","","","","","","","","","","3","I -4 2 d","I -4 2bw","122","","","Willemite","- O4 Si Zn2 -","- O4 Si Zn2 -","- O16 Si4 Zn8 -","4","0.25","","Marumo, F.; Syono, Y.","The crystal structure of Zn2SiO4-II, a high-pressure phase of willemite","Acta Crystallographica, Section B","1971","27","","1868","1870","10.1107/S0567740871005004","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9007527","11.89","","11.89","","12.671","","90","","90","","120","","1551.33","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- H15.479 Na6.335 O32.335 P2 -","- H48 Na6.335 O32.335 P2 -","- H96 Na12.67 O64.67 P4 -","2","0.166667","","Tillmanns, E.; Baur, W. H.","On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts","Acta Crystallographica, Section B","1971","27","","2124","2132","10.1107/S0567740871005454","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9007528","12.038","","12.038","","12.833","","90","","90","","120","","1610.53","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- H15.454 Na6.31 O32.31 V2 -","- H48 Na6.31 O32.31 V2 -","- H96 Na12.62 O64.62 V4 -","2","0.166667","","Tillmanns, E.; Baur, W. H.","On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts","Acta Crystallographica, Section B","1971","27","","2124","2132","10.1107/S0567740871005454","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9007529","12.017","","12.017","","12.783","","90","","90","","120","","1598.66","","","","","","","","","","","","","4","P -3 c 1","-P 3 2""c","165","","","","- As2 H15.404 Na6.26 O32.26 -","- As2 H48 Na6.26 O32.26 -","- As4 H96 Na12.52 O64.52 -","2","0.166667","","Tillmanns, E.; Baur, W. H.","On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts","Acta Crystallographica, Section B","1971","27","","2124","2132","10.1107/S0567740871005454","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:21",""
"9007530","4.179","","4.179","","2.6649","","90","","90","","90","","46.54","","","","","","","","","","","","Meteor Crater, Arizona, USA","2","P 42/m n m","-P 4n 2n","136","","","Stishovite","- O2 Si -","- O2 Si -","- O4 Si2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007531","4.5941","","4.5941","","2.9589","","90","","90","","90","","62.45","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Rutile","- O2 Ti -","- O2 Ti -","- O4 Ti2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007532","4.3975","","4.3975","","2.8625","","90","","90","","90","","55.355","","","","","","","","","","","","Synthetic","2","P 42/m n m","-P 4n 2n","136","","","Argutite","- Ge O2 -","- Ge O2 -","- Ge2 O4 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007533","4.738","","4.738","","3.1865","","90","","90","","90","","71.533","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Cassiterite","- O2 Sn -","- O2 Sn -","- O4 Sn2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:43",""
"9007534","4.6213","","4.6213","","3.0159","","90","","90","","90","","64.409","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Sellaite","- F2 Mg -","- F2 Mg -","- F4 Mg2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007535","4.8738","","4.8738","","3.3107","","90","","90","","90","","78.642","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- F2 Mn -","- F2 Mn -","- F4 Mn2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007536","4.6945","","4.6945","","3.3097","","90","","90","","90","","72.94","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- F2 Fe -","- F2 Fe -","- F4 Fe2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007537","4.6954","","4.6954","","3.1774","","90","","90","","90","","70.051","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Co F2 -","- Co F2 -","- Co2 F4 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007538","4.6498","","4.6498","","3.0838","","90","","90","","90","","66.674","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- F2 Ni -","- F2 Ni -","- F4 Ni2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007539","4.7048","","4.7048","","3.1338","","90","","90","","90","","69.367","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- F2 Zn -","- F2 Zn -","- F4 Zn2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007540","4.421","","4.421","","2.917","","90","","90","","90","","57.013","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- Cr O2 -","- Cr O2 -","- Cr2 O4 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Cloud et al (1962)","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007541","4.4919","","4.4919","","3.1066","","90","","90","","90","","62.682","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- O2 Ru -","- O2 Ru -","- O4 Ru2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Boman (1970)","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007542","4.5003","","4.5003","","3.1839","","90","","90","","90","","64.483","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","","- O2 Os -","- O2 Os -","- O4 Os2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Boman (1970)","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007543","4.9568","","4.9568","","3.3866","","90","","90","","90","","83.208","","","","","","","","","","","","","2","P 42/m n m","-P 4n 2n","136","","","Plattnerite","- O2 Pb -","- O2 Pb -","- O4 Pb2 -","2","0.125","","Baur, W. H.; Khan, A. A.","Rutile-type compounds. IV. SiO2, GeO2 and a comparison with other rutile-type structures Note: data from Leciejewicz and Padlo (1962)","Acta Crystallographica, Section B","1971","27","11","2133","2139","10.1107/S0567740871005466","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007544","8.195","","8.195","","8.195","","90","","90","","90","","550.36","","","","","","","","","","","","Bou-Azzer, Morocco","4","I m -3","-I 2 2 3","204","","","Skutterudite","- As3 Co0.87 Fe0.11 Ni0.13 -","- As3 Co0.87 Fe0.11 Ni0.13 -","- As24 Co6.96 Fe0.88 Ni1.04 -","8","0.166667","","Mandel, N.; Donohue, J.","The refinement of the crystal structure of skutterudite, CoAs3","Acta Crystallographica, Section B","1971","27","","2288","2289","10.1107/S0567740871005727","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9009603","6.71","","8.989","","14.533","","105.59","","93.44","","108.68","","789.532","","","","","","","","","","","","Tsumeb mine, Namibia","4","P -1","-P 1","2","","","Warikahnite","- As2 H4 O10 Zn3 -","- As2 H4 O10 Zn3 -","- As8 H16 O40 Zn12 -","4","2","","Riffel, H.; Keller, P.; Hess, H.","Die kristallstruktur von warikahnit, Zn3[(H2O)2|(AsO4)2]","Tschermaks Mineralogische und Petrographische Mitteilungen","1980","27","","187","199","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009927","5.7344","","6.78","","5.4413","","97.29","","108.56","","107.28","","185.681","","","","","","","","","","","","","5","P -1","-P 1","2","","","Collinsite","- Ca2 H4 Mg O10 P2 -","- Ca2 H4 Mg O10 P2 -","- Ca2 H4 Mg O10 P2 -","1","0.5","","Brotherton, P. D.; Maslen, E. N.; Pryce, M. W.; White, A. H.","Crystal structure of collinsite","Australian Journal of Chemistry","1974","27","","653","656","10.1071/CH9740653","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:33",""
"9011110","11.37","","11.37","","11.37","","90","","90","","90","","1469.88","","","","973.15","","","","","","","","Synthetic","3","P a -3","-P 2ac 2ab 3","205","","","Cliffordite","- O9 Te3 U -","- O9 Te3 U -","- O72 Te24 U8 -","8","0.333333","","Galy, J.; Meunier, G.","A propos de la cliffordite UTe3O8. Le Systeme UO3-TeO2 a 700 C. Structure cristalline de UTe3O9 Sample: T = 700 C","Acta Crystallographica, Section B","1971","27","","608","616","10.1107/S0567740871002632","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011111","16.07999","","6.69","","7.95","","90","","104.9","","90","","826.466","","","","","","","","","","","","Synthetic","4","C 1 2/c 1","-C 2yc","15","","","Hexahydroborite","- B2 Ca H12 O10 -","- B2 Ca H12 O10 -","- B8 Ca4 H48 O40 -","4","0.5","","Sedlacek, P.; Dornberger-Schiff K","An OD-Disordered modification of the calcium monoborate dihydrate Ca[B(OH)4]2*2H2O Sample: MDO (1)","Acta Crystallographica, Section B","1971","27","","1532","1541","10.1107/S0567740871004357","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011112","8.04","","6.69","","7.95","","90","","104.9","","90","","413.233","","","","","","","","","","","","Synthetic","4","P 1 2/c 1","-P 2yc","13","","","Hexahydroborite","- B2 Ca H12 O10 -","- B2 Ca H12 O10 -","- B4 Ca2 H24 O20 -","2","0.5","","Sedlacek, P.; Dornberger-Schiff K","An OD-Disordered modification of the calcium monoborate dihydrate Ca[B(OH)4]2*2H2O Sample: MDO (2)","Acta Crystallographica, Section B","1971","27","","1532","1541","10.1107/S0567740871004357","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011113","5.584","","14.6","","5.374","","90","","90","","90","","438.123","","","","","","","","","","","","Synthetic","4","I b m 2","I 2 -2b","46","","","Brownmillerite","- Al Ca2 Fe O5 -","- Al Ca2 Fe O5 -","- Al4 Ca8 Fe4 O20 -","4","0.5","","Colville, A. A.; Geller, S.","The crystal structure of brownmillerite, Ca2FeAlO5 Note: no bond lengths could be reproduced","Acta Crystallographica, Section B","1971","27","12","2311","2315","10.1107/S056774087100579X","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011114","16.51","","11.277","","3.645","","90","","96.8","","90","","673.864","","","","","","","","","","","","Synthetic","4","P 1 21/n 1","-P 2yn","14","","","Guanine","- C5 H7 N5 O2 -","- C5 H7 N5 O2 -","- C20 H28 N20 O8 -","4","1","","Thewalt, U.; Bugg, C. E.; Marsh, R. E.","The crystal structure of guanine monohydrate","Acta Crystallographica, Section B","1971","27","","2358","2362","10.1107/S0567740871005880","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011704","3.3088","","3.3088","","5.268","","90","","90","","120","","49.948","","","","","","","","","","","","Synthetic","1","P 63/m m c","-P 6c 2c","194","Scandium","","Scandium","- Sc -","- Sc -","- Sc2 -","2","0.0833333","","Saw, C. K.; Beaudry, B. J.; Stassis, C.","Location of deuterium in alpha-scandium","Physical Review B - Condensed Matter","1983","27","","7013","7017","10.1103/PhysRevB.27.7013","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011903","18.946","","4.714","","10.302","","90","","111.58","","90","","855.593","","","","","","","","","","","","","8","P 1 2/a 1","-P 2ya","13","","","Tadzhikite-(Ce)","- Al0.26 B4 Ca4 Ce2 Fe0.34 O24 Si4 Ti0.4 -","- Al0.26 B4 Ca4 Ce2 Fe0.34 O24 Si4 Ti0.4 -","- Al0.52 B8 Ca8 Ce4 Fe0.68 O48 Si8 Ti0.8 -","2","0.5","","Chernitsova, N. M.; Pudovkina, Z. V.; Pyatenko, Y. A.","About the crystal structure of tadzhikite {(Ca,Tr)4(Y,Tr)2(Ti,Fe,Al)(O,OH)2 [Si4B4O22]}","Soviet Physics Doklady","1982","27","","367","368","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011955","7.65","","7.55","","6.548","","90","","90","","90","","378.196","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","Brenkite","- C Ca2 F2 O3 -","- C Ca2 F2 O3 -","- C4 Ca8 F8 O12 -","4","0.5","","Leufer, U.; Tillmanns, E.","Die kristallstruktur von brenkit, Ca2F2CO3","Tschermaks Mineralogische und Petrographische Mitteilungen","1980","27","","261","266","","","","","","","","","","","","","","","","","","","","","","has coordinates","303136","2025-11-01","12:31:45",""
"9012063","5.53","","5.53","","11.049","","90","","90","","90","","337.888","","","","","","","","","","","","Synthetic","3","P -4 2 c","P -4 2c","112","","","Eskebornite","- Cu Fe Se2 -","- Cu Fe Se2 -","- Cu4 Fe4 Se8 -","4","0.5","","Delgado, J. M.; Diaz de Delgado, G.; Quintero, M.; Woolley, J. C.","The crystal structure of copper iron selenide, CuFeSe2","Materials Research Bulletin","1992","27","","367","373","10.1016/0025-5408(92)90066-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012420","10.31","","10.31","","10.31","","24.17","","24.17","","24.17","","161.469","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","","Tetradymite","- Bi2 S Te2 -","- Bi2 S Te2 -","- Bi2 S Te2 -","1","0.0833333","","Lange, P. W.","Ein Vergleich zwischen Bi2Te3 und Bi2Te2S","Naturwissenschaften","1939","27","","133","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012447","3.5107","","3.5107","","3.5107","","90","","90","","90","","43.269","","","","293.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Lithium","","Lithium","- Li -","- Li -","- Li2 -","2","0.0208333","","Covington, E. J.; Montgomery, D. J.","Sample: at T = 20 C Note: Li6 isotope","Journal of Chemical Physics","1957","27","","1030","1032","10.1063/1.1743926","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012448","3.5092","","3.5092","","3.5092","","90","","90","","90","","43.214","","","","293.15","","","","","","","","Synthetic","1","I m -3 m","-I 4 2 3","229","Lithium","","Lithium","- Li -","- Li -","- Li2 -","2","0.0208333","","Covington, E. J.; Montgomery, D. J.","Sample: at T = 20 C Note: Li7 isotope","Journal of Chemical Physics","1957","27","","1030","1032","10.1063/1.1743926","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012516","5.434","","4.8091","","11.779","","90","","90","","90","","307.816","","","","","","","","","","","","Synthetic","2","P n a 21","P 2c -2n","33","","","Cervantite","- O2 Sb -","- O2 Sb -","- O16 Sb8 -","8","2","","Amador, J.; Gutierrez-Puebla E; Monge, M. A.; Rasines, I.; Ruiz-Valero C","Diantimony tetraoxides revisited Note: displacement parameters from ICSD","Inorganic Chemistry","1988","27","","1367","1370","10.1021/ic00281a011","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012517","12.057","","4.8352","","5.384","","90","","104.56","","90","","303.796","","","","","","","","","","","","Synthetic","2","C 1 2/c 1","-C 2yc","15","","","Clinocervantite","- O2 Sb -","- O2 Sb -","- O16 Sb8 -","8","1","","Amador, J.; Gutierrez-Puebla E; Monge, M. A.; Rasines, I.; Ruiz-Valero C","Diantimony tetraoxides revisited Note: displacement parameters from ICSD","Inorganic Chemistry","1988","27","","1367","1370","10.1021/ic00281a011","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012548","12.32","","12.32","","9.88","","90","","90","","120","","1298.7","","","","","","","","","","","","","4","P -6","P -6","174","","","Hydroxyl-bastnasite-(Nd)","- C H Nd O4 -","- C H Nd O4 -","- C18 H18 Nd18 O72 -","18","3","","Christensen, N.","Hydrothermal preparation of rare earth hydroxycarbonates. The crystal structure of NdOHCO3","Acta Chemica Scandinavica","1973","27","","2973","2982","10.3891/acta.chem.scand.27-2973","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9012894","10.2776","","10.2776","","10.2776","","90","","90","","90","","1085.61","","","","","","","","","","","","Synthetic","3","I -4 3 d","I -4bd 2c 3","220","","","Eulytine","- Bi4 O12 Si3 -","- Bi4 O12 Si3 -","- Bi16 O48 Si12 -","4","0.0833333","","Barbier, J.; Greedan, J. E.; Asaro, T.; McCarthy, G. J.","Neutron diffraction study of disorder in eulytite-type Sr3La(PO4)3","European Journal of Solid State and Inorganic Chemistry","1990","27","","855","867","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012895","10.1853","","10.1853","","10.1853","","90","","90","","90","","1056.63","","","","298","","","","","","","","Synthetic","4","I -4 3 d","I -4bd 2c 3","220","","","","- La O12 P3 Sr3 -","- La O11.9999 P3 Sr3 -","- La4 O47.9995 P12 Sr12 -","4","0.0833333","","Barbier, J.; Greedan, J. E.; Asaro, T.; McCarthy, G. J.","Neutron diffraction study of disorder in eulytite-type Sr3La(PO4)3 Sample: T = 298 K","European Journal of Solid State and Inorganic Chemistry","1990","27","","855","867","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012896","10.1633","","10.1633","","10.1633","","90","","90","","90","","1049.79","","","","15","","","","","","","","Synthetic","4","I -4 3 d","I -4bd 2c 3","220","","","","- La3 O12 P3 Sr3 -","- La3 O11.9999 P3 Sr3 -","- La12 O47.9995 P12 Sr12 -","4","0.0833333","","Barbier, J.; Greedan, J. E.; Asaro, T.; McCarthy, G. J.","Neutron diffraction study of disorder in eulytite-type Sr3La(PO4)3 Sample: T = 15 K","European Journal of Solid State and Inorganic Chemistry","1990","27","","855","867","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9012900","5.26","","6.4","","7.34","","90","","90","","90","","247.094","","","","","","","","","","","","deposits of the Bayan Obo, Baotou, China","7","P m c 21","P 2c -2","26","","","Carbocernaite","- C2 Ba0.11 Ca0.74 Ce0.4 Na0.26 O6 Sr0.44 -","- C2 Ba0.11 Ca0.74 Ce0.4 Na0.26 O6 Sr0.44 -","- C4 Ba0.22 Ca1.48 Ce0.8 Na0.52 O12 Sr0.88 -","2","0.5","","Nicheng, S.; Zhesheng, M.; Zhizhong, P.","The crystal structure of carbocernaite","Kexue Tongbao","1982","27","","76","80","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013412","3.818","","3.818","","6.26","","90","","90","","120","","79.027","","","","","","","","","","","","Synthetic","2","P 63 m c","P 6c -2c","186","","","Wurtzite-2H","- S Zn -","- S Zn -","- S2 Zn2 -","2","0.166667","","Ballentyne, D. W. G.; Roy, B.","Electroluminescence and crystal structure in the alloy system ZnS - CdS","Physica","1961","27","","337","341","10.1016/0031-8914(61)90106-9","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9013890","11.484","","11.484","","5.62","","90","","90","","90","","741.178","","","","","","","","","","","","Synthetic","3","I -4 2 d","I -4 2bw","122","","","Santarosaite","- B2 Cu O4 -","- B2 Cu O4 -","- B24 Cu12 O48 -","12","0.75","","Martinez-Ripoll M; Martinez-Carrera S; Garcia-Blanco S","The crystal structure of copper metaborate, CuB2O4","Acta Crystallographica, Section B","1971","27","","677","681","10.1107/S0567740871002760","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014143","13.73","","13.73","","9.329","","90","","90","","120","","1523.02","","","","","","","","","","","","not given","4","R 3 :H","R 3","146","","","Aktashite","- As4 Cu6 Hg3 S12 -","- As4 Cu6 Hg3 S12 -","- As12 Cu18 Hg9 S36 -","3","0.333333","","Nowacki, W.","Isotypy in aktashite Cu6Hg3As4S12 and nowackiite Cu6Zn3As4S12","Soviet Physics Crystallography","1982","27","","26","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014751","5.644","","5.644","","5.644","","90","","90","","90","","179.788","","","","","","","","","","","","Synthetic","2","F m -3 m","-F 4 2 3","225","","","Gupeiite","- Fe3 Si -","- Fe3 Si -","- Fe12 Si4 -","4","0.0208333","","Kanematsu, K.","Stability of crystal structure of (Fe,V)3M and (Fe,Ni)3M (M=Si,Ge,Sn) and its analysis based on rigid band model","Transactions of the Japan Institute of Metals","1986","27","","225","232","10.2320/matertrans1960.27.225","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9015028","9.077","","5.679","","7.279","","90","","90","","90","","375.22","","","","","","","","","","","","Synthetic","4","P n m a","-P 2ac 2n","62","","","Barberiite","- B F4 H4 N -","- B F4 H4 N -","- B4 F16 H16 N4 -","4","0.5","","Caron, A. P.; Ragle, J. L.","Refinement of the structure of orthorhombic ammonium tetrafluoroborate, NH4BF4","Acta Crystallographica, Section B","1971","27","","1102","1107","10.1107/S0567740871003601","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:18",""
"9016429","7.409","","7.666","","7.0421","","90","","116.04","","90","","359.371","","","","","","","","","","","","Synthetic","3","P 1 21/c 1","-P 2ybc","14","","","","- B H2 O2 -","- B H2 O2 -","- B8 H16 O16 -","8","2","","Baber, R. A.; Norman, N. C.; Orpen, A. G.; Rossi, J.","The solid-state structure of diboronic acid, B2(OH)4","New Journal of Chemistry","2003","27","","772","775","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016605","9.8362","","7.8301","","7.8655","","90","","90","","90","","605.788","","","","","","","","","","","","","2","C m c e","-C 2ac 2","64","","","Luobusaite","- Fe0.96 Si2 -","- Fe0.96 Si2 -","- Fe15.36 Si32 -","16","1","","Li, G.; Sh, N.; Xiong, M.; Ma, Z.; Bai, W.; Fang, Q.","Rietveld structure refinement of new mineral luobusaite (beta-FeSi2)","Journal of Mineralogy and Petrology","2007","27","","1","5","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9017246","7.5549","","15.2342","","19.6418","","90","","90","","90","","2260.63","","","","","","","","","","","","Agua de Pau volcano, San Miguel Island, Azores District, Portugal","16","I b a m","-I 2 2c","72","","","Chiappinoite-(Y)","- Ca0.25 Ce0.18 Dy0.1 Er0.08 Fe0.09 Gd0.07 La0.07 Mn0.61 Na0.1 Nd0.09 O28 Pr0.02 Si12 Sm0.03 Y1.17 Yb0.06 -","- Ca0.25 Ce0.18 Dy0.1 Er0.08 Fe0.09 Gd0.07 La0.07 Mn0.61 Na0.1 Nd0.09 O28 Pr0.02 Si12 Sm0.03 Y1.17 Yb0.06 -","- Ca Ce0.72 Dy0.4 Er0.32 Fe0.36 Gd0.28 La0.28 Mn2.44 Na0.4 Nd0.36 O112 Pr0.08 Si48 Sm0.12 Y4.68 Yb0.24 -","4","0.25","","Kampf, A. R.; Housley, R. M.","Chiappinoite-(Y), Y2Mn(Si3O7)4, a new layer silicate found in peralkaline syenitic ejecta from the Agua de Pau volcano, Azores","European Journal of Mineralogy","2015","27","","91","97","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017247","12.0285","","12.0285","","12.0285","","90","","90","","90","","1740.34","","","","","","","","","","","","Upper Chegem Caldera, Northern Caucasus, Russia","7","I -4 3 d","I -4bd 2c 3","220","","","Chlorkyuygenite","- Al6.423 Ca6 Cl1.191 Fe0.388 H3.618 O17.809 Si0.189 -","- Al6.423 Ca6 Cl1.191 Fe0.388 H3.618 O17.809 Si0.189 -","- Al25.692 Ca24 Cl4.764 Fe1.552 H14.472 O71.236 Si0.756 -","4","0.0833333","","Galuskin, E. V.; Galuskina, I. O.; Kusz, J.; Gfeller, F.; Armbruster, T.; Bailau, R.; Dulski, M.; Gazeev, V. M.; Pertsev, N. N.; Zadov, A. E.; Dzierzanowski, P.","Mayenite supergroup, part II: Chlorkyuygenite from Upper Chegem, Northern Caucasus, Kabardino-Balkaria, Russia, a new microporous mineral with ""zeolitic"" H2O","European Journal of Mineralogy","2015","27","","113","122","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017248","11.966","","11.966","","11.966","","90","","90","","90","","1713.35","","","","","","","","","","","","Negev Desert, Hatrurim Basin, Arad, Israel","7","I -4 3 d","I -4bd 2c 3","220","","","Fluorkyuygenite","- Al6.664 Ca6 F0.947 Fe0.224 H3.958 O18.053 Si0.112 -","- Al6.6638 Ca6 F0.9471 Fe0.224 H3.9579 O18.0529 Si0.1122 -","- Al26.6552 Ca24 F3.7884 Fe0.896 H15.8316 O72.2116 Si0.4488 -","4","0.0833333","","Galuskin, E. V.; Gfeller, F.; Armbruster, T.; Galuskina, I. O.; Vapnik, Y.; Dulski, M.; Murashko, M.; Dzierzanowski, P.; Sharygin, V. V.; Krivovichev, S. V.; Wirth, R.","Mayenite supergroup, part III: fluormayenite, Ca12Al14O32[[]4F2], and fluorkyuygenite, Ca12Al14O32[(H2O)4F2], two new minerals from pyrometamorphic rocks of the Hatrurim Complex, South Levant","European Journal of Mineralogy","2015","27","","123","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9017249","11.9894","","11.9894","","11.9894","","90","","90","","90","","1723.43","","","","","","","","","","","","Jabel Harmun, Judean Mountains, Palestinian Autonomy, Israel","8","I -4 3 d","I -4bd 2c 3","220","","","Fluormayenite","- Al6.838 Ca5.981 F1.053 Fe0.135 H1.053 Mg0.02 Na0.019 O16.593 -","- Al6.8376 Ca5.9814 F1.0527 Fe0.1352 H0.69 Mg0.02 Na0.0186 O16.5927 -","- Al27.3504 Ca23.9256 F4.2108 Fe0.5408 H2.76 Mg0.08 Na0.0744 O66.3708 -","4","0.0833333","","Galuskin, E. V.; Gfeller, F.; Armbruster, T.; Galuskina, I. O.; Vapnik, Y.; Dulski, M.; Murashko, M.; Dzierzanowski, P.; Sharygin, V. V.; Krivovichev, S. V.; Wirth, R.","Mayenite supergroup, part III: fluormayenite, Ca12Al14O32[[]4F2], and fluorkyuygenite, Ca12Al14O32[(H2O)4F2], two new minerals from pyrometamorphic rocks of the Hatrurim Complex, South Levant","European Journal of Mineralogy","2015","27","","123","136","","","","","","","","","","","","","","","","","","","","","","has coordinates","285095","2023-07-08","07:48:16",""
"9017250","6.7737","","10.5715","","11.073","","117.93","","106.909","","90.389","","660.609","","","","","","","","","","","","Glavnaya Tenoritovaya fumarole, Tolbachik volcano, Kamchatka, Russia","6","P -1","-P 1","2","","","Mellizinkalite","- Cl6.951 Cu0.14 K2.949 Mg0.09 Rb0.03 Zn1.84 -","- Cl6.951 Cu0.14 K2.949 Mg0.09 Rb0.03 Zn1.84 -","- Cl13.902 Cu0.28 K5.898 Mg0.18 Rb0.06 Zn3.68 -","2","1","","Pekov, I. V.; Zubkova, N. V.; Yapaskurt, V. O.; Lykova, I. S.; Belakovskiy, D. I.; Vigasina, M. F.; Sidorov, E. G.; Britvin, S. N.; Pushcharovsky, D. Y.","New zinc and potassium chlorides from fumaroles of the Tolbachik volcano, Kamchatka, Russia: mineral data and crystal chemistry. I. Mellizinkalite, K3Zn2Cl7","European Journal of Mineralogy","2015","27","","247","253","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017399","11.981","","11.981","","11.981","","90","","90","","90","","1719.81","","","","","","","","","","","","Synthetic","4","I -4 3 d","I -4bd 2c 3","220","","","Fluormayenite","- Al7 Ca6 F O16 -","- Al7 Ca6 F0.99996 O16 -","- Al28 Ca24 F3.99984 O64 -","4","0.0833333","","Yu, Q.; Sugita, S.; Feng, X.; Mi, J.","On the preparation of single crystals of 11CaO*7Al2O3*CaF2 and the confirmation of its crystal structure","Cement and Concrete Research","1997","27","","1439","1449","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017530","5.852","","15.876","","3.756","","90","","90","","90","","348.956","","","","","","","","","","","","Tao and Ma districts, Fengning County, Chengde Prefecture, Hebei Province, China","4","A 1 a 1","A -2ya","9","","","Daomanite","- As Cu Pt S2 -","- As Cu Pt S2 -","- As4 Cu4 Pt4 S8 -","4","1","","Ding, K.; He, C.; Zheng, Q.","Determination of daomanite crystal structure","Kexue Tongbao","1982","27","","62","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017531","3.756","","15.876","","5.852","","90","","90","","90","","348.956","","","","","","","","","","","","Tao and Ma districts, Fengning County, Chengde Prefecture, Hebei Province, China","4","C 1 c 1","C -2yc","9","","","Daomanite","- As Cu Pt S2 -","- As Cu Pt S2 -","- As4 Cu4 Pt4 S8 -","4","1","","Ding, K.; He, C.; Zheng, Q.","Determination of daomanite crystal structure","Kexue Tongbao","1982","27","","62","66","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""