# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-22T03:11:38+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (volume = 25 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
"1000071","13.335","0.002","4.08","0.005","3.8362","0.0004","90","","90","","90","","208.7","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Dibarium palladate","","- Ba2 O3 Pd -","- Ba2 O3 Pd -","- Ba4 O6 Pd2 -","2","0.125","","Laligant, Y; Le Bail, A; Ferey, G; Hervieu, M; Raveau, B; Wilkinson, A; Cheetham, A K","Synthesis and ab-initio structure determination from X-ray powder data of Ba~2~ Pd O~3~ with sevenfold coordinated Ba^2+^. Structural correlations with K~2~ Ni F~4~ and Ba~2~ Ni F~6~","European Journal of Solid State Inorganic Chemistry","1988","25","","237","246","","","","","","","0.0853","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000079","6.755","0.0003","9.1026","0.0004","17.0808","0.0006","90","","90","","90","","1050.3","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Potassium dioxovanadium hydrogenphosphate","","- H K O6 P V -","- H K O6 P V -","- H8 K8 O48 P8 V8 -","8","1","","Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G","Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction","European Journal of Solid State Inorganic Chemistry","1988","25","","599","607","","","","","","","0.043","","","","","","","","","","","","","","","has coordinates","279152","2022-11-09","13:25:42",""
"1000080","6.8064","0.0006","9.2567","0.0007","17.732","0.002","90","","90","","90","","1117.2","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Ammonium dioxovanadium hydrogenphosphate","","- H5 N O6 P V -","- H5 N O6 P V -","- H40 N8 O48 P8 V8 -","8","1","","Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G","Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction","European Journal of Solid State Inorganic Chemistry","1988","25","","599","607","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","279152","2022-11-09","13:25:42",""
"1000081","6.8182","0.0008","9.291","0.001","17.631","0.002","90","","90","","90","","1116.9","","","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","Rubidium dioxovanadium hydrogenphosphate","","- H O6 P Rb V -","- H O6 P Rb V -","- H8 O48 P8 Rb8 V8 -","8","1","","Amoros, P; Beltran-Porter, D; Le Bail, A; Ferey, G; Villeneuve, G","Crystal structure of A(VO~2~)(HPO~4~)(A=NH~4~^+^,K^+^, Rb^+^) solved from X-ray powder diffraction","European Journal of Solid State Inorganic Chemistry","1988","25","","599","607","","","","","","","0.045","","","","","","","","","","","","","","","has coordinates","279152","2022-11-09","13:25:42",""
"1000086","9.8614","0.0002","9.8614","0.0002","9.8614","0.0002","90","","90","","90","","959","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Aluminium hydroxide fluoride hydrate (2/2.8/3.2/1)","","- Al2 F3.24 H4.76 O3.76 -","- Al2 F3.24 H4.764 O3.76 -","- Al16 F25.92 H38.112 O30.08 -","8","0.0416667","","Fourquet, J L; Riviere, M; Le Bail, A; Nygrens, M; Grins, J","Crystal structure and protonic conductivity of pyrochlore phases Al~2~((O H)~1-x~ F~x~)~6~ . H~2~O and Al~2~((O H)~1-x~F~x~)~6~ (x=0.5)","European Journal of Solid State Inorganic Chemistry","1988","25","","535","540","","","","","","","0.0124","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000087","9.749","0.0006","9.749","0.0006","9.749","0.0006","90","","90","","90","","926.6","","","","","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","Dialuminium trihydroxide trifluoride","","- Al2 F3 H3 O3 -","- Al2 F3 H3 O3 -","- Al16 F24 H24 O24 -","8","0.0416667","","Fourquet, J L; Riviere, M; Le Bail, A; Nygrens, M; Grins, J","Crystal structure and protonic conductivity of pyrochlore phases Al~2~((O H)~1-x~ F~x~)~6~ . H~2~O and Al~2~((O H)~1-x~F~x~)~6~ (x=0.5)","European Journal of Solid State Inorganic Chemistry","1988","25","","535","540","","","","","","","0.0268","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1000088","7.585","0.001","4.965","0.001","11.116","0.002","90","","106.96","0.01","90","","400.4","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dilithium terbium(IV) fluoride","","- F6 Li2 Tb -","- F6 Li2 Tb -","- F24 Li8 Tb4 -","4","1","","Laligant, Y; Le Bail, A; Ferey, G; Avignant, D; Cousseins, J C","Determination of the crystal structure of Li~2~ Tb F~6~ from X-ray and neutron powder diffraction. An example of lithium in five-fold coordination.","European Journal of Solid State Inorganic Chemistry","1988","25","","551","563","","","","","","","0.0372","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000089","7.56","0.001","4.934","0.001","11.066","0.001","90","","107.02","0.01","90","","394.7","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dilithium terbium(IV) fluoride","","- F6 Li2 Tb -","- F6 Li2 Tb -","- F24 Li8 Tb4 -","4","1","","Laligant, Y; Le Bail, A; Ferey, G; Avignant, D; Cousseins, J C","Determination of the crystal structure of Li~2~ Tb F~6~ from X-ray and neutron powder diffraction. An example of lithium in five-fold coordination.","European Journal of Solid State Inorganic Chemistry","1988","25","","551","563","","","","","","","0.0156","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000146","12.046","0.006","6.984","0.004","7.093","0.004","90","","125.04","0.04","90","","488.6","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dirubidium sodium tris(tetrafluoroaluminate)","","- Al3 F12 Na Rb2 -","- Al3 F12 Na Rb2 -","- Al6 F24 Na2 Rb4 -","2","0.5","","Le Bail, A.; Gao, Y.; Fourquet, J. L.; Jacoboni, C. J.","Structure determination of A2 Na Al3 F12 (A= K, Rb)","Materials Research Bulletin","1990","25","","831","839","10.1016/0025-5408(90)90059-B","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000147","11.882","0.007","6.983","0.004","6.942","0.004","90","","125.59","0.03","90","","670.8","","","","","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","Dipotassium sodium tris(tetrafluoroaluminate)","","- Al3 F12 K2 Na -","- Al3 F12 K2 Na -","- Al6 F24 K4 Na2 -","2","0.5","","Le Bail, A.; Gao, Y.; Fourquet, J. L.; Jacoboni, C. J.","Structure determination of A2 Na Al3 F12 (A= K, Rb)","Materials Research Bulletin","1990","25","","831","839","10.1016/0025-5408(90)90059-B","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000242","6.523","0.002","6.523","0.002","5.831","0.002","90","","90","","90","","248.1","","","","","","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","Barium diyttrium palladium oxide","","- Ba O5 Pd Y2 -","- Ba O5 Pd Y2 -","- Ba2 O10 Pd2 Y4 -","2","0.125","","Laligant, Y; Ferey, G; Hervieu, M; Raveau, B","Crystal structure of palladate Y~2~ Ba Pd O~5~ with square planar coordinated Pd^2+^","European Journal of Solid State Inorganic Chemistry","1988","25","","111","117","","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000290","5.4146","0.0001","5.3757","0.0001","7.6199","0.0002","90","","90","","90","","221.8","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni4 O12 Pr4 -","4","0.5","","Huang, T C; Parrish, W; Toraya, H; Lacorre, P; Torrance, J B","High temperature crystal structures of orthorhombic and rhombohedral PrNiO~3~","Materials Research Bulletin","1990","25","","1091","1098","10.1016/0025-5408(90)90138-R","","","","","","0.032","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000291","5.4294","0.0001","5.3849","0.0001","7.6362","0.0002","90","","90","","90","","223.3","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni4 O12 Pr4 -","4","0.5","","Huang, T C; Parrish, W; Toraya, H; Lacorre, P; Torrance, J B","High temperature crystal structures of orthorhombic and rhombohedral PrNiO~3~","Materials Research Bulletin","1990","25","","1091","1098","10.1016/0025-5408(90)90138-R","","","","","","0.038","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000292","5.4456","0.0001","5.3952","0.0001","7.652","0.0002","90","","90","","90","","224.8","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni4 O12 Pr4 -","4","0.5","","Huang, T C; Parrish, W; Toraya, H; Lacorre, P; Torrance, J B","High temperature crystal structures of orthorhombic and rhombohedral PrNiO~3~","Materials Research Bulletin","1990","25","","1091","1098","10.1016/0025-5408(90)90138-R","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000293","5.4577","0.0001","5.4577","0.0001","13.1058","0.0003","90","","90","","120","","338.1","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni6 O18 Pr6 -","6","0.166667","","Huang, T C; Parrish, W; Toraya, H; Lacorre, P; Torrance, J B","High temperature crystal structures of orthorhombic and rhombohedral PrNiO~3~","Materials Research Bulletin","1990","25","","1091","1098","10.1016/0025-5408(90)90138-R","","","","","","0.062","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000294","5.4614","0.0001","5.4614","0.0001","13.1319","0.0002","90","","90","","120","","339.2","","","","","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","Praseodymium nickel(III) oxide","","- Ni O3 Pr -","- Ni O3 Pr -","- Ni6 O18 Pr6 -","6","0.166667","","Huang, T C; Parrish, W; Toraya, H; Lacorre, P; Torrance, J B","High temperature crystal structures of orthorhombic and rhombohedral PrNiO~3~","Materials Research Bulletin","1990","25","","1091","1098","10.1016/0025-5408(90)90138-R","","","","","","0.064","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1000295","7.421","0.003","7.421","0.003","18.166","0.006","90","","90","","120","","866.4","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Disodium manganese chromium fluoride","","- Cr F7 Mn Na2 -","- Cr F7 Mn Na2 -","- Cr6 F42 Mn6 Na12 -","6","1","","Courbion, G; Ferey, G; Holler, H; Babel, D","On trigonal weberites: structure refinement of Na~2~MnCrF~7~ and Na~2~MnGaF~7~","European Journal of Solid State Inorganic Chemistry","1988","25","","435","447","","","","","","","0.047","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000296","7.401","0.001","7.401","0.001","18.091","0.002","90","","90","","120","","858.2","","","","","","","","","","","","","4","P 31 2 1","P 31 2""","152","","Disodium manganese gallium fluoride","","- F7 Ga Mn Na2 -","- F7 Ga Mn Na2 -","- F42 Ga6 Mn6 Na12 -","6","1","","Courbion, G; Ferey, G; Holler, H; Babel, D","On trigonal weberites: Structure refinement of Na~2~MnCrF~7~ and Na~2~MnGaF~7~","European Journal of Solid State Inorganic Chemistry","1988","25","","435","447","","","","","","","0.044","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1000468","5.168","0.002","5.168","0.002","13.438","0.005","90","","90","","120","","310.8","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","Vanadium(III) fluoride","","- F3 V -","- F3 V -","- F18 V6 -","6","0.166667","","Daniel, P; Bulou, A; Leblanc, M; Rousseau, M; Nouet, J","Structural and vibrational study of V F3","Materials Research Bulletin","1990","25","","413","420","10.1016/0025-5408(90)90175-2","","","","","","0.026","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1001026","7.505","","7.505","","36.37","","90","","90","","120","","1774.1","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Rubidium tantalum oxide (10/29.2/78)","","- O78 Rb10 Ta29.2 -","- O78 Rb9.9996 Ta29.2 -","- O78 Rb9.9996 Ta29.2 -","1","0.0416667","","Michel, C; Guyomarch, A; Raveau, B","Nouveaux echangeurs cationiques avec une structure a tunnels entrecroises: les niobates et tantalates A~10~ M~29.2~ O~78~ et A~10~ M~29.2~ O~78~ (H~2~ O)~10~","Journal of Solid State Chemistry","1978","25","","251","261","10.1016/0022-4596(78)90110-X","","","","","","0.086","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001387","7.944","0.001","7.944","0.001","7.944","0.001","90","","90","","90","","501.3","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Molybdenum(IV) diphosphate","","- Mo O7 P2 -","- Mo O7 P2 -","- Mo4 O28 P8 -","4","0.166667","","Leclaire, A; Borel, M M; Grandin, A; Raveau, B","Structure of molybdenum (IV) diphosphate Mo P~2~ O~7~","European Journal of Solid State Inorganic Chemistry","1988","25","","323","327","","","","","","","0.048","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001388","7.3523","0.0007","9.9875","0.0006","8.1872","0.0011","90","","106.498","0.009","90","","576.4","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Potassium iron(III) diphosphate","","- Fe K O7 P2 -","- Fe K O7 P2 -","- Fe4 K4 O28 P8 -","4","1","","Riou, D; Labbe, Ph; Goreaud, M","The diphosphate K Fe P~2~ O~7~: Structure and possibilities for insertion in the host framework","European Journal of Solid State Inorganic Chemistry","1988","25","","215","229","","","","","","","0.025","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001450","13.4454","0.001","14.8114","0.0011","6.4422","0.0007","90","","90","","90","","1282.9","","","","","","","","","","","","","4","P n n m","-P 2 2n","58","","Caesium niobium phosphate (1/3/3)","","- Cs Nb3 O15 P3 -","- Cs Nb3 O15 P3 -","- Cs4 Nb12 O60 P12 -","4","0.5","","Borel, M M; Grandin, A; Costentin, G; Leclaire, A; Raveau, B","A new series of bronzes and bronzoids with KNb~3~P~3~O~15~ structure","Materials Research Bulletin","1990","25","","1155","1160","10.1016/0025-5408(90)90145-R","","","","","","0.031","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1001451","4.8229","0.0002","8.0813","0.0005","6.9419","0.0006","90","","109.387","0.005","90","","255.2","","","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","Lithium iron(III) diphosphate","","- Fe Li O7 P2 -","- Fe Li O7 P2 -","- Fe2 Li2 O14 P4 -","2","1","","Riou, D; Nguyen, N; Benloucif, R; Raveau, B","LiFeP~2~O~7~: Structure and magnetic properties","Materials Research Bulletin","1990","25","","1363","1369","10.1016/0025-5408(90)90218-Q","","","","","","0.028","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007023","7.528","0.002","8.09","0.002","6.272","0.001","113.68","0.02","81.56","0.02","105.77","0.02","336.3","","","","","","","","","","","","","3","P -1","-P 1","2","","Copper oxide bis(phosphate)","","- Cu4 O9 P2 -","- Cu4 O9 P2 -","- Cu8 O18 P4 -","2","1","","Brunel-Lauegt, M; Durif, A; Guitel, J C","Structure cristalline de Cu~4~ (P O~4~)~2~ O","Journal of Solid State Chemistry","1978","25","","39","47","10.1016/0022-4596(78)90041-5","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1007235","12.57","","12.57","","12.57","","90","","90","","90","","1986.1","","","","","","","","","","","","synthetic","4","I a -3 d","-I 4bd 2c 3","230","","Dialuminium tricalcium oxide hexahydrate","Hydrogarnet","- Al2 Ca3 H12 O12 -","- Al2 Ca3 H12 O12 -","- Al16 Ca24 H96 O96 -","8","0.0833333","","Cohen-Addad, C; Ducros, P; Durif, A; Bertaut, E F; Delapalme, A","Determination de la position des atomes d'hydrogene dans l'hydrogrinat Al2 O3, (Ca O)3 (H2 O)6 par resonance magnetique nucleaire et diffraction neutronique","Journal de Physique (Paris)","1964","25","","478","483","10.1051/jphys:01964002505047800","","","","","","0.13","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1008029","10.97","0.02","10.97","0.02","10.97","0.02","90","","90","","90","","1320.1","","","","","","","","","","","","","5","F m -3","-F 2 2 3","202","","Dicaesium lead hexanitrocuprate - $-alpha","","- Cs2 Cu N6 O12 Pb -","- Cs2 Cu N6 O12 Pb -","- Cs8 Cu4 N24 O48 Pb4 -","4","0.0416667","","Klein, S; Reinen, D","The structure of the high temperature $-alpha modification of Cs~2~ Pb Cu (N O~2~)~6~ and the Jahn-Teller induced $-alpha $-beta phase transition - a neutron diffraction study","Journal of Solid State Chemistry","1978","25","","295","299","10.1016/0022-4596(78)90114-7","","","","","","0.041","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1008191","5.672","","7.136","","5.377","","90","","90","","90","","217.6","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Sodium dioxoferrate(III) - β","","- Fe Na O2 -","- Fe Na O2 -","- Fe4 Na4 O8 -","4","1","","Bertaut, E. F.; Delapalme, A.; Bassi, G.","Structure magnétique de β-FeNaO~2~ et affinement des positions atomique","Journal de Physique (Paris)","1964","25","5","545","549","10.1051/jphys:01964002505054500","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","200139","2020-10-21","18:00:00",""
"1010791","5.141","","5.141","","5.141","","90","","90","","90","","135.9","","","","","","","","","","","","","2","","","","","Neodymium nitride","","- N Nd -","","","","","","Iandelli, A; Botti, E","Sulla struttura cristallina dei composti delle terre rare con i metalloidi del V gruppo. - Composti del Neodimio.","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1937","25","","638","640","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010792","5.826","","5.826","","5.826","","90","","90","","90","","197.7","","","","","","","","","","","","","2","","","","","Neodymium phosphide","","- Nd P -","","","","","","Iandelli, A; Botti, E","Sulla struttura cristallina dei composti delle terre rare con i metalloidi del V gruppo. - Composti del Neodimio.","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1937","25","","638","640","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010793","6.309","","6.309","","6.309","","90","","90","","90","","251.1","","","","","","","","","","","","","2","","","","","Neodymium antimonide","","- Nd Sb -","","","","","","Iandelli, A; Botti, E","Sulla struttura cristallina dei composti delle terre rare con i metalloidi del V gruppo. - Composti del Neodimio.","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1937","25","","638","640","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010794","5.958","","5.958","","5.958","","90","","90","","90","","211.5","","","","","","","","","","","","","2","","","","","Neodymium arsenide","","- As Nd -","","","","","","Iandelli, A; Botti, E","Sulla struttura cristallina dei composti delle terre rare con i metalloidi del V gruppo. - Composti del Neodimio.","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1937","25","","638","640","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010795","5.275","","5.275","","5.275","","90","","90","","90","","146.8","","","","","","","","","","","","","2","","","","","Lanthanum nitride","","- La N -","","","","","","Iandelli, A; Botti, E","Sulla struttura cristallina dei composti delle terre rare con i metalloidi del V gruppo. - Azoturi di Lantanio, Cerio e Praesodimio.","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1937","25","","129","132","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010796","5.011","","5.011","","5.011","","90","","90","","90","","125.8","","","","","","","","","","","","","2","","","","","Cerium nitride","","- Ce N -","","","","","","Iandelli, A; Botti, E","Sulla struttura cristallina dei composti delle terre rare con i metalloidi del V gruppo. - Azoturi di Lantanio, Cerio e Praseodimio.","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1937","25","","129","132","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010797","5.155","","5.155","","5.155","","90","","90","","90","","137","","","","","","","","","","","","","2","","","","","Praseodymium nitride","","- N Pr -","","","","","","Iandelli, A; Botti, E","Sulla struttura cristallina dei composti delle terre rare con i metalloidi del V gruppo. - Azoturi di Lantanio, Cerio e Praseodimio.","Atti della Accademia Nazionale dei Lincei, Classe di Scienze Fisiche, Matematiche e Naturali, Rendiconti, Serie 7 (1, 1925-1945)","1937","25","","129","132","","","","","","","","","","","","","","","","","","","","","","","35911","2020-10-21","18:00:00",""
"1010863","5.49","","5.49","","5.49","","90","","90","","90","","165.5","","","","","","","","","","","","from Mill Close Mine, Derbyshire","3","","","","","Iron nickel sulfide (0.65/0.35/2)","Bravoite","- Fe0.65 Ni0.35 S2 -","","","","","","Bannister, F A; Hey, M H","Bravoite from Mill Close mine, Derbyshire.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1940","25","","609","615","10.1180/minmag.1940.025.170.05","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1010864","44.06","","76.31","","8.6","","90","","90","","120","","25041.2","","","","","","","","","","","","from the British Museum","3","","","","","Hexalead 14-antimony 27-sulfide","Zinckenite","- Pb6 S27 Sb14 -","","","12","","","Vaux, G; Bannister, F A","The identity of Zinckenite and Keeleyite.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1938","25","","221","227","10.1180/minmag.1938.025.163.06","","","","","","","","","","","","","","","","","","","","","","120071","2020-10-21","18:00:00",""
"1010972","19.34","","23.06","","4.95","","90","","90","","90","","2207.6","","","","","","","","","","","","from Switzerland","6","","","","","Calcium silicon aluminium beryllium oxide hydroxide (4/9/2/1/24/4)","Bavenite","- Al2 Be Ca4 H4 O28 Si9 -","","","4","","","Claringbull, G F","Occurences of Bavenite in Switzerland.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1940","25","","495","497","10.1180/minmag.1940.025.168.04","","","","","","","","","","","","","","","","","","","","","","278158","2022-09-26","15:28:11",""
"1011112","3.867","0.003","3.867","0.003","3.867","0.003","90","","90","","90","","57.8","","","","","","","","","","","","synthetic (from Heraeus)","1","F m -3 m","-F 4 2 3","225","Palladium","Palladium","Palladium","- Pd -","- Pd -","- Pd4 -","4","0.0208333","","Davey, W P","Precission measurements of the lattice constants of 12 common metals","Physical Review (1,1893-132,1963/141,1966-188,1969)","1925","25","","753","761","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011113","3.92","0.004","3.92","0.004","3.92","0.004","90","","90","","90","","60.2","","","","","","","","","","","","synthetic","1","F m -3 m","-F 4 2 3","225","Platinum","Platinum","Platinum","- Pt -","- Pt -","- Pt4 -","4","0.0208333","","Davey, W P","Precission measurements of the lattices of 12 simple metals","Physical Review (1,1893-132,1963/141,1966-188,1969)","1925","25","","753","761","","","","","","","","","","","","","","","","","","","","","","has coordinates","202026","2020-10-21","18:00:00",""
"1011119","4.93","0.005","4.93","0.005","4.93","0.005","90","","90","","90","","119.8","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Lead","Lead","Lead","- Pb -","- Pb -","- Pb4 -","4","0.0208333","","Davey, W P","Precission measurements of the lattices of 12 simple metals","Physical Review (1,1893-132,1963/141,1966-188,1969)","1925","25","","753","761","","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011205","8.6","","13.02","","7.22","","90","","116.05","","90","","726.3","","","","","","","","","","","","from Mogok, Upper Burma, (Spencer C)","4","C 1 2/m 1","-C 2y","12","","Potassium tecto-alumotrisilicate","Orthoclase","- Al K O8 Si3 -","- Al K O8 Si3 -","- Al4 K4 O32 Si12 -","4","0.5","","Chao, S H; Hargreaves, A; Taylor, W H","The structure of orthoclase.","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1940","25","","498","512","10.1180/minmag.1940.025.168.05","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1011215","5.42","0.03","5.42","0.03","11.3","0.3","90","","90","","90","","332","","","","","","","","","","","","from Dinas Castle tungsten mine, Cornwall and synthetic","3","I 41/a m d :1","I 4bw 2bw -1bw","141","","Bismuth tungsten oxide *","Russellite","- Bi4.5 O16 W1.6 -","- Bi4.5 O16 W1.6 -","- Bi4.5 O16 W1.6 -","1","0.03125","","Hey, M H; Bannister, F A","Russellite, a new British mineral","Mineralogical Magazine and Journal of the Mineralogical Society (1876- 1968)","1938","25","","41","55","10.1180/minmag.1938.25.161.01","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1100070","9.397","0.01","14.555","0.015","6.864","0.009","90","","90","","90","","938.8","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Baggio, S; Amzel, L; Becka, L N","Refinement of the structure of magnesium thiosulfate hexahydrate, Mg S~2~ O~3~ (H~2~ O)~6~","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1650","2653","","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","186542","2020-10-21","18:00:00",""
"1100077","9.397","0.01","14.455","0.015","6.864","0.009","90","","90","","90","","932.4","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Magnesium thiosulfate hexahydrate","","- H12 Mg O9 S2 -","- H12 Mg O9 S2 -","- H48 Mg4 O36 S8 -","4","0.5","","Baggio, S; Amzel, L M; Becka, L N","Refinement of the structure of magnesium thiosulphate hexahydrate, Mg S~2~ O~3~ (H~2~ O)~6~","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2650","2653","10.1107/S0567740869006200","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"1100287","9.68","0.002","15.834","0.004","24.029","0.006","90","","99.46","0.02","90","","3632.91","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 Li2 N6 -","- C34 H50 Li2 N6 -","- C136 H200 Li8 N24 -","4","1","","Boche, Gernot; Marsch, Michael; Harms, Klaus","[(α-Cyanobenzyllithium. Tetramethylethylenediamine)~2~. Benzene]: X-ray Structure Analysis of an α-Nitrile ""Carbanion""","Angewandte Chemie, International Edition in English","1986","25","4","373","374","10.1002/anie.198603731","","","","","","","","","","","","","","","","","","","","","has coordinates","177003","2020-10-21","18:00:00",""
"1100288","9.689","0.002","15.699","0.004","23.914","0.006","90","","99.43","0.02","90","","3588.35","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H50 Li2 N6 -","- C34 H50 Li2 N6 -","- C136 H200 Li8 N24 -","4","1","","Boche, Gernot; Marsch, Michael; Harms, Klaus","[(α-Cyanobenzyllithium. Tetramethylethylenediamine)~2~. Benzene]: X-ray Structure Analysis of an α-Nitrile ""Carbanion""","Angewandte Chemie, International Edition in English","1986","25","4","373","374","10.1002/anie.198603731","","","","","","","","","","","","","","","","","","","","","has coordinates","177003","2020-10-21","18:00:00",""
"1100290","38.55","0.02","12.015","0.006","18.13","0.01","90","","96.59","0.05","90","","8341.94","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H58 Li2 N4 O2 S2 -","- C40 H58 Li2 N4 O2 S2 -","- C320 H464 Li16 N32 O16 S16 -","8","1","","Marsch, Michael; Massa, Werner; Baum, Gerhard; Boche, Gernot; Harms, Klaus","[α-(Phenylsulfinyl)-α-methylbenzyllithium-tetramethylethylenediamine]~2~: Crystal Structure of an α-Sulfinyl ""Carbanion""","Angewandte Chemie, International Edition in English","1986","25","11","1011","1012","10.1002/anie.198610111","","","","","","","","","","","","","","","","","","","","","has coordinates","177385","2020-10-21","18:00:00",""
"1100688","18.381","0.004","6.1799","0.0012","6.1865","0.0012","90","","90","","90","","702.7","0.2","293","2","293","2","","","","","","","","4","P m n 21","P 2ac -2","31","","2,3-bis(4-methylphenyl)tetrazolidine-5-thione","","- C15 H16 N4 S -","- C15 H16 N4 S -","- C30 H32 N8 S2 -","2","0.5","","Zhao, Pu Su; Jian, Fang Fang; Xiao, Hai Lian; Hou, Yu Xia","A Novel Synthesis and Crystal Structure of 2,3-Substituted-1,4-2H-tetrazolthione","Bulletin of the Korean Chemical Society","2004","25","12","1935","1936","10.5012/bkcs.2004.25.12.1935","","","0.71073","MoKα","","0.1207","0.1089","","","0.3064","0.3127","","","","","","1.219","","","","has coordinates","176838","2020-10-21","18:00:00",""
"1200017","2.47","","2.47","","6.79","","90","","90","","120","","35.9","","","","","","","","","","","","from Kropfm}hl, Bavaria","1","P 63 m c","P 6c -2c","186","","Carbon","Graphite 2H","- C -","- C -","- C4 -","4","0.333333","","Hassel, O","Ueber die Kristallstruktur des Graphits","Zeitschrift fuer Physik","1924","25","","317","337","10.1007/BF01327534","","","","","","","","","","","","","","","","","","","","","has coordinates","202022","2020-10-21","18:00:00",""
"1500024","8.8749","0.0003","16.4118","0.0007","7.1373","0.0003","90","","93.8031","0.001","90","","1037.28","0.07","293","","293","","","","","","","","www.serateclab.com","5","P 1 21/n 1","-P 2yn","14","bethanechol chloride","","","- C7 H17 Cl N2 O2 -","- C7 H17 Cl N2 O2 -","- C28 H68 Cl4 N8 O8 -","4","1","","Armel Le Bail","<i>Ab initio</i> structure determination of bethanechol chloride","Powder Diffraction","2010","25","","","","","powder diffraction","","1.54056","CuKα","","","","","","","","","3.5799","","","","","","","","has coordinates","287905","2023-11-30","18:01:52",""
"1507754","9.8113","0.001","10.3682","0.0012","14.2027","0.0018","90","","104.05","0.004","90","","1401.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7-ethynylcoumarin","","","- C18 H12 O2 -","- C18 H12 O2 -","- C72 H48 O8 -","4","1","","Liu, Jiawang; Nguyen, Thong T.; Dupart, Patrick S.; Sridhar, Jayalakshmi; Zhang, Xiaoyi; Zhu, Naijue; Stevens, Cheryl L Klein; Foroozesh, Maryam","7-Ethynylcoumarins: Selective Inhibitors of Human Cytochrome P450s 1A1 and 1A2.","Chemical research in toxicology","2012","25","5","1047","1057","10.1021/tx300023p","","","0.71073","MoKα","","0.0622","0.0396","","","0.1078","0.123","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508815","5.3129","0.0002","9.094","0.0003","16.9173","0.0005","90","","90","","90","","817.37","0.05","130","0.2","130","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C6 H12 O4 Se -","- C6 H12 O4 Se -","- C24 H48 O16 Se4 -","4","1","","Storkey, Corin; Pattison, David I.; White, Jonathan M.; Schiesser, Carl H.; Davies, Michael J.","Preventing protein oxidation with sugars: scavenging of hypohalous acids by 5-selenopyranose and 4-selenofuranose derivatives.","Chemical research in toxicology","2012","25","11","2589","2599","10.1021/tx3003593","","","1.5418","CuKα","","0.0247","0.0247","","","0.065","0.065","","","","","","1.119","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508979","3.644","","3.644","","3.644","","90","","90","","90","","48.388","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Silver zinc gadolinium (0.5/0.5/1)","","- Ag0.5 Gd Zn0.5 -","- Ag0.5 Gd Zn0.5 -","- Ag0.5 Gd Zn0.5 -","1","0.0208333","","Kinzel, W.; Koebler, U.; Zinn, W.","Magnetic phase diagram of Cd Ag1-x Znx","Journal of Magnetism and Magnetic Materials","1981","25","","124","134","10.1016/0304-8853(81)90110-4","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509119","3.911","","3.911","","3.911","","90","","90","","90","","59.822","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Silver palladium (0.4/3.6)","","- Ag0.4 Pd3.6 -","- Ag0.396 Pd3.604 -","- Ag0.396 Pd3.604 -","1","0.00520833","","Sakamoto, Y.; Flanagan, T.B.; Baba, K.; Miyagawa, U.; Watanabe, K.","Electrical resistivity changes due to interstitial hydrogen in palladium-rich substitutional alloys","Journal of Materials Science","1990","25","","3910","3916","10.1007/BF00582459","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1509357","3.672","","3.672","","3.672","","90","","90","","90","","49.512","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ag Gd -","- Ag Gd -","- Ag Gd -","1","0.0208333","","Kinzel, W.; Zinn, W.; Koebler, U.","Magnetic phase diagram of Gd Ag1-x Znx","Journal of Magnetism and Magnetic Materials","1981","25","","124","134","10.1016/0304-8853(81)90110-4","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1509452","3.1814","","3.1814","","3.1814","","90","","90","","90","","32.2","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","Ag (Mg0.2 Zn0.8)","","- Ag Mg0.2 Zn0.8 -","- Ag Mg0.2 Zn0.8 -","- Ag Mg0.2 Zn0.8 -","1","0.0208333","","Minamigawa, S.; Katada, K.; Matsuo, Y.","Phase relation and superlattice formation in the Ag Zn - Ag Mg quasibinary alloys","Acta Metallurgica","1977","25","","1179","1186","10.1016/0001-6160(77)90205-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509454","3.2595","","3.2595","","3.2595","","90","","90","","90","","34.63","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Ag10 Mg7 Zn3)0.1","","- Ag Mg0.7 Zn0.3 -","- Ag Mg0.7 Zn0.3 -","- Ag Mg0.7 Zn0.3 -","1","0.0208333","","Katada, K.; Minamigawa, S.; Matsuo, Y.","Phase relation and superlattice formation in the Ag Zn - Ag Mg quasibinary alloys","Acta Metallurgica","1977","25","","1179","1186","10.1016/0001-6160(77)90205-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1509668","6.4516","","6.4516","","6.4516","","90","","90","","90","","268.536","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ag2 Mg Zn -","- Ag2 Mg Zn -","- Ag8 Mg4 Zn4 -","4","0.0208333","","Matsuo, Y.; Katada, K.; Minamigawa, S.","Phase relation and superlattice formation in the Ag Zn - Ag Mg quasibinary alloys","Acta Metallurgica","1977","25","","1179","1186","10.1016/0001-6160(77)90205-X","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510100","4.262","","4.262","","4.262","","90","","90","","90","","77.418","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Au Cs -","- Au Cs -","- Au Cs -","1","0.0208333","","Holcomb, D.F.; Tinelli, G.A.","NMR and structural properties of Cs Au and Rb Au","Journal of Solid State Chemistry","1978","25","","157","165","10.1016/0022-4596(78)90099-3","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510123","3.65","","10.81","","4.58","","90","","90","","90","","180.711","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Au Er -","- Au Er -","- Au4 Er4 -","4","0.25","","Bruzzone, G.; Palenzona, A.; Gschneidner, K.A.jr.; McMasters, O.D.","Stoichiometry, crystal structures and some melting points of the lanthanide-gold alloys","Journal of the Less-Common Metals","1971","25","","135","160","10.1016/0022-5088(71)90125-1","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510124","3.5346","","3.5346","","3.5346","","90","","90","","90","","44.159","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Au Er -","- Au Er -","- Au Er -","1","0.0208333","","Gschneidner, K.A.jr.; Palenzona, A.; McMasters, O.D.; Bruzzone, G.","Stoichiometry, crystal structures and some melting points of the lanthanide-gold alloys","Journal of the Less-Common Metals","1971","25","","135","160","10.1016/0022-5088(71)90125-1","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510181","7.025","","4.8922","","8.8482","","90","","90","","90","","304.092","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Au Ho2 -","- Au Ho2 -","- Au4 Ho8 -","4","0.5","","McMasters, O.D.; Gschneidner, K.A.jr.; Bruzzone, G.; Palenzona, A.","Stoichiometry, crystal structure and some melting points of the lanthanide-gold alloys","Journal of the Less-Common Metals","1971","25","","135","160","10.1016/0022-5088(71)90125-1","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510193","3.911","","3.911","","3.911","","90","","90","","90","","59.822","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Au Pd9)0.4","","- Au0.4 Pd3.6 -","- Au0.4 Pd3.6 -","- Au0.4 Pd3.6 -","1","0.00520833","","Sakamoto, Y.; Baba, K.; Watanabe, K.; Flanagan, T.B.; Miyagawa, U.","Electrical resistivity changes due to interstitial hydrogen in palladium-rich substitutional alloys","Journal of Materials Science","1990","25","","3910","3916","10.1007/BF00582459","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1510226","3.4955","","3.4955","","3.4955","","90","","90","","90","","42.71","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Au Lu -","- Au Lu -","- Au Lu -","1","0.0208333","","Bruzzone, G.; Palenzona, A.; McMasters, O.D.; Gschneidner, K.A.jr.","Stoichiometry, crystal structures and some melting points of the lanthanide-gold alloys","Journal of the Less-Common Metals","1971","25","","135","160","10.1016/0022-5088(71)90125-1","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510247","7.417","","7.417","","5.522","","90","","90","","90","","303.776","","","","","","","","","","","","","2","I 4/m c m","-I 4 2c","140","","","","- Au Na2 -","- Au Na2 -","- Au4 Na8 -","4","0.125","","Haucke, W.","Ueber Gold-Natrium-Legierungen","Naturwissenschaften","1937","25","","61","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510280","4.107","","4.107","","4.107","","90","","90","","90","","69.275","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Au Rb -","- Au Rb -","- Au Rb -","1","0.0208333","","Tinelli, G.A.; Holcomb, D.F.","NMR and structural properties of Cs Au and Rb Au","Journal of Solid State Chemistry","1978","25","","157","165","10.1016/0022-4596(78)90099-3","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510316","3.5196","","3.5196","","3.5196","","90","","90","","90","","43.599","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Au Tm -","- Au Tm -","- Au Tm -","1","0.0208333","","McMasters, O.D.; Gschneidner, K.A.jr.; Palenzona, A.; Bruzzone, G.","Stoichiometry, crystal structures and some melting points of the lanthanide-gold alloys","Journal of the Less-Common Metals","1971","25","","135","160","10.1016/0022-5088(71)90125-1","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510420","3.6771","","3.6771","","8.9416","","90","","90","","90","","120.9","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Au2 Ho -","- Au2 Ho -","- Au4 Ho2 -","2","0.0625","","Bruzzone, G.; Gschneidner, K.A.jr.; McMasters, O.D.; Palenzona, A.","Stoichiometry, crystal structures and some melting points of the lanthanide-gold alloys","Journal of the Less-Common Metals","1971","25","","135","160","10.1016/0022-5088(71)90125-1","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510444","7.79","","7.79","","7.79","","90","","90","","90","","472.729","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Au2 Na -","- Au2 Na -","- Au16 Na8 -","8","0.0416667","","Haucke, W.","Ueber Gold-Natrium-Legierungen","Naturwissenschaften","1937","25","","61","61","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510458","4.672","","7.04","","8.178","","90","","90","","90","","268.982","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Au2 Pr -","- Au2 Pr -","- Au8 Pr4 -","4","0.25","","Palenzona, A.; McMasters, O.D.; Gschneidner, K.A.jr.; Bruzzone, G.","Stoichiometry, crystal structures and some melting points of the lanthanide-gold alloys","Journal of the Less-Common Metals","1971","25","","135","160","10.1016/0022-5088(71)90125-1","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510499","6.0598","","4.966","","5.0864","","90","","90","","90","","153.065","","","","","","","","","","","","","2","P m m n :1","P 2 2ab -1ab","59","","","","- Au3 Ho -","- Au3 Ho -","- Au6 Ho2 -","2","0.25","","McMasters, O.D.; Bruzzone, G.; Gschneidner, K.A.jr.; Palenzona, A.","Stoichiometry, crystal structure and some melting points of the lanthanide-gold alloys","Journal of the Less-Common Metals","1971","25","","135","160","10.1016/0022-5088(71)90125-1","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510539","6.6534","","6.6534","","4.174","","90","","90","","90","","184.774","","","","","","","","","","","","","2","I 4/m","-I 4","87","","","","- Au4 Ho -","- Au4 Ho -","- Au8 Ho2 -","2","0.125","","Palenzona, A.; Gschneidner, K.A.jr.; Bruzzone, G.; McMasters, O.D.","Stoichiometry, crystal structure and some melting points of the lanthanide-gold alloys","Journal of the Less-Common Metals","1971","25","","135","160","10.1016/0022-5088(71)90125-1","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1510574","12.545","","12.545","","9.135","","90","","90","","120","","1245.03","","","","","","","","","","","","","2","P 6/m","-P 6","175","","","","- Au50.82 Ho14 -","- Au50.82 Ho14 -","- Au50.82 Ho14 -","1","0.0833333","","Bruzzone, G.; McMasters, O.D.; Palenzona, A.; Gschneidner, K.A.jr.","Stoichiometry, crystal structure and some melting points of the lanthanide-gold alloys","Journal of the Less-Common Metals","1971","25","","135","160","10.1016/0022-5088(71)90125-1","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1511019","8.324","","8.324","","3.2638","","90","","90","","120","","195.848","","","","","","","","","","","","","4","P -6","P -6","174","","Li Cd (B O3)","","- B Cd Li O3 -","- B Cd Li O3 -","- B3 Cd3 Li3 O9 -","3","0.5","","Sokolova, E.V.; Belov, N.V.; Simonov, M.A.","The refined crystal structure of hexagonal Li Cd B O3","Kristallografiya","1980","25","","1285","1286","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511149","8.758","","8.758","","12.001","","90","","90","","90","","920.507","","","","","","","","","","","","","3","P 42/m n m","-P 4n 2n","136","","Fe14 Tb2 B","","- B Fe14 Tb2 -","- B Fe14 Tb2 -","- B4 Fe56 Tb8 -","4","0.25","","Kuz'ma, Yu.B.; Dub, O.M.","Ternary borides with the Nd2 Fe14 B structure","Soviet Powder Metallurgy and Metal Ceramics","1986","25","","572","575","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511522","4.972","","8.613","","19.513","","90","","90.02","","90","","835.621","","","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","Na2 Zn2 Mn B4.68 O11","","- B4.68 Mn Na2 O11 Zn2 -","- B4.68 Mn Na2 O11 Zn2 -","- B18.72 Mn4 Na8 O44 Zn8 -","4","1","","Malinovskii, Yu.A.; Bondareva, O.S.; Belov, N.V.","The crystal structure of Na2 Zn2 Mn B4.67 O11","Kristallografiya","1980","25","","944","949","","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1511537","8.514","","7.602","","9.399","","90","","93.85","","90","","606.963","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Y Co (B O2)5","","- B5 Co O10 Y -","- B5 Co O10 Y -","- B20 Co4 O40 Y4 -","4","1","","Dzhafarov, G.G.; Abdullaev, G.K.; Mamedov, Kh.S.; Aliev, O.A.","Synthesis and study of the crystal structure of the double metaborate of yttrium and cobalt Y Co (B O2)5","Zhurnal Neorganicheskoi Khimii","1980","25","","364","367","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1511600","7.701","","8.632","","3.462","","90","","90","","90","","230.137","","","","","","","","","","","","","3","C m m m","-C 2 2","65","","Er2 Ni3 B6","","- B6 Er2 Ni3 -","- B6 Er2 Ni3 -","- B12 Er4 Ni6 -","2","0.125","","Kuz'ma, Yu.B.; Gubich, I.B.; Chaban, N.F.","New borides with Lu2 Ni3 B6 structure type","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1989","25","","1317","1320","","","","","","","","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512865","13.5841","0.0003","16.3528","0.0004","21.0204","0.0005","90","","106.354","0.002","90","","4480.51","0.19","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N4 O16 U2 -","- C40 H52 N4 O16 U2 -","- C160 H208 N16 O64 U8 -","4","1","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.0773","0.0461","","","0.0823","0.09","","","","","","1.093","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512866","11.5007","0.0002","8.2049","0.0001","21.5198","0.0005","90","","92.9907","0.0007","90","","2027.89","0.06","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H56 N2 O10 U -","- C40 H56 N2 O10 U -","- C80 H112 N4 O20 U2 -","2","0.5","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.061","0.0296","","","0.0498","0.0557","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512867","7.186","0.0002","13.5433","0.0005","14.3965","0.0005","92.854","0.002","94.564","0.002","92.227","0.002","1393.63","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H82 N4 O8 U -","- C56 H82 N4 O8 U -","- C56 H82 N4 O8 U -","1","0.5","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.0306","0.0289","","","0.0566","0.0574","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512868","8.795","0.0001","20.8201","0.0004","10.9669","0.0002","90","","99.156","0.001","90","","1982.59","0.06","173","2","173","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C42 H56 N2 O8 U -","- C42 H56 N2 O8 U -","- C84 H112 N4 O16 U2 -","2","0.5","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.0654","0.0312","","","0.0602","0.0675","","","","","","1.025","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1512869","14.8509","0.0003","10.9267","0.0004","16.7848","0.0007","90","","102.04","0.002","90","","2663.78","0.16","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H80 N2 O8 U -","- C26.97 H39.91 N O4 U0.5 -","- C107.88 H159.64 N4 O16 U2 -","4","1","","Harri Sopo; Jukka Sviili; Arto Valkonen; Reijo Sillanpää","Uranyl ion complexes with aminoalcoholbis(phenolate) [O,N,O,O′] donor ligands","Polyhedron","2006","25","5","1223","1232","10.1016/j.poly.2005.08.044","","x-ray","0.71073","MoKα","","0.0651","0.0327","","","0.0648","0.0729","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513255","9.3164","0.0017","7.0649","0.0013","23.684","0.004","90","","99.945","0.003","90","","1535.4","0.5","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H8 N6 -","- C20 H8 N6 -","- C80 H32 N24 -","4","1","","Richards, Gary J.; Hill, Jonathan P.; Okamoto, Ken; Shundo, Atsuomi; Akada, Misaho; Elsegood, Mark R. J.; Mori, Toshiyuki; Ariga, Katsuhiko","Diverse Self-Assembly in Soluble Oligoazaacenes: A Microscopy Study†","Langmuir","2009","25","15","8408","8413","10.1021/la8041633","","","0.71073","MoKα","","0.1235","0.0449","","","0.0917","0.1201","","","","","","0.942","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513256","5.0366","0.001","19.092","0.004","11.454","0.002","90","","99.39","0.03","90","","1086.6","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H26 F2 N2 O2 -","- C28 H26 F2 N2 O2 -","- C56 H52 F4 N4 O4 -","2","0.5","","Zhao, Yunfeng; Mu, Xiaoyue; Bao, Chunxiao; Fan, Yan; Zhang, Jingying; Wang, Yue","Alkyl Chain Length Dependent Morphology and Emission Properties of the Organic Micromaterials Based on Fluorinated Quinacridone Derivatives","Langmuir","2009","25","5","3264","3270","10.1021/la804182d","","","0.71073","MoKα","","0.0761","0.0453","","","0.1101","0.1208","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513257","8.093","0.0016","8.8966","0.0018","12.017","0.002","110.82","0.03","101.89","0.03","99.42","0.03","764.4","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H42 F2 N2 O2 -","- C36 H42 F2 N2 O2 -","- C36 H42 F2 N2 O2 -","1","0.5","","Zhao, Yunfeng; Mu, Xiaoyue; Bao, Chunxiao; Fan, Yan; Zhang, Jingying; Wang, Yue","Alkyl Chain Length Dependent Morphology and Emission Properties of the Organic Micromaterials Based on Fluorinated Quinacridone Derivatives","Langmuir","2009","25","5","3264","3270","10.1021/la804182d","","","0.71073","MoKα","","0.0858","0.0516","","","0.1705","0.2084","","","","","","0.709","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513258","22.992","0.005","9.991","0.002","15.192","0.003","90","","98.67","0.03","90","","3449.9","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H50 F2 N2 O2 -","- C40 H50 F2 N2 O2 -","- C160 H200 F8 N8 O8 -","4","0.5","","Zhao, Yunfeng; Mu, Xiaoyue; Bao, Chunxiao; Fan, Yan; Zhang, Jingying; Wang, Yue","Alkyl Chain Length Dependent Morphology and Emission Properties of the Organic Micromaterials Based on Fluorinated Quinacridone Derivatives","Langmuir","2009","25","5","3264","3270","10.1021/la804182d","","","0.71073","MoKα","","0.123","0.0583","","","0.1843","0.2468","","","","","","0.771","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513259","16.163","0.003","10.169","0.002","15.187","0.003","90","","113.16","0.03","90","","2295","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H74 F2 N2 O2 -","- C52 H74 F2 N2 O2 -","- C104 H148 F4 N4 O4 -","2","0.5","","Zhao, Yunfeng; Mu, Xiaoyue; Bao, Chunxiao; Fan, Yan; Zhang, Jingying; Wang, Yue","Alkyl Chain Length Dependent Morphology and Emission Properties of the Organic Micromaterials Based on Fluorinated Quinacridone Derivatives","Langmuir","2009","25","5","3264","3270","10.1021/la804182d","","","0.71073","MoKα","","0.2082","0.0873","","","0.2357","0.3204","","","","","","0.864","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513260","32.99","0.003","14.4951","0.0011","8.8108","0.0012","90","","99.065","0.005","90","","4160.6","0.8","213","2","213","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C24 H30 O2 -","- C24 H30 O2 -","- C192 H240 O16 -","8","2","","Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre","Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes†","Langmuir","2009","25","15","8606","8614","10.1021/la804206n","","","1.5418","CuKα","","0.0524","0.0517","","","0.1435","0.1469","","","","","","1","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513261","14.6672","0.0004","14.6672","0.0004","46.706","0.002","90","","90","","120","","8701.6","0.5","295","1","295","1","","","","","","","","3","R -3 :H","-R 3","148","2,3-dibutoxy-anthracene","","","- C22 H26 O2 -","- C22 H26 O2 -","- C396 H468 O36 -","18","1","","Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre","Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes†","Langmuir","2009","25","15","8606","8614","10.1021/la804206n","","","0.71073","MoKα","","0.121","0.044","","","0.097","0.166","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513262","14.639","0.002","14.639","0.002","54.435","0.007","90","","90","","120","","10103","2","173","2","173","2","","","","","","","","3","R -3 :H","-R 3","148","","","","- C26 H34 O2 -","- C26 H34 O2 -","- C468 H612 O36 -","18","1","","Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre","Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes†","Langmuir","2009","25","15","8606","8614","10.1021/la804206n","","","0.71073","MoKα","","0.0952","0.0413","","","0.0821","0.0946","","","","","","1.024","","","","has coordinates","288646","2024-01-03","15:10:25",""
"1513263","14.5525","0.0008","14.5525","0.0008","17.0822","0.0017","90","","90","","120","","3132.9","0.4","213","2","213","2","","","","","","","","3","P -3","-P 3","147","","","","- C24 H30 O2 -","- C24 H30 O2 -","- C144 H180 O12 -","6","1","","Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre","Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes†","Langmuir","2009","25","15","8606","8614","10.1021/la804206n","","","1.5418","CuKα","","0.0813","0.0794","","","0.2672","0.2729","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513264","8.6007","0.0014","7.8074","0.0011","21.612","0.004","90","","100.929","0.008","90","","1424.9","0.4","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre","Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes†","Langmuir","2009","25","15","8606","8614","10.1021/la804206n","","","0.71073","MoKα","","0.205","0.0826","","","0.1572","0.2055","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513265","14.66","0.002","14.66","0.002","19.643","0.004","90","","90","","120","","3656","1","150","2","150","2","","","","","","","","3","P -3","-P 3","147","","","","- C28 H38 O2 -","- C28 H38 O2 -","- C168 H228 O12 -","6","1","","Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre","Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes†","Langmuir","2009","25","15","8606","8614","10.1021/la804206n","","","0.71073","MoKα","","0.3657","0.1061","","","0.1286","0.1944","","","","","","0.939","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513266","8.5062","0.0003","7.964","0.0003","24.0314","0.001","90","","91.547","0.002","90","","1627.37","0.11","160","2","160","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H22 O2 -","- C20 H22 O2 -","- C80 H88 O8 -","4","1","","Olive, Alexandre G. L.; Raffy, Guillaume; Allouchi, Hassan; Léger, Jean-Michel; Del Guerzo, André; Desvergne, Jean-Pierre","Striking Correlation between the Unusual Trigonal Crystal Packing and the Ability to Self-Assemble into Nanofibers of 2,3-Di-n-alkyloxyanthracenes†","Langmuir","2009","25","15","8606","8614","10.1021/la804206n","","","0.71073","MoKα","","0.0854","0.0445","","","0.0952","0.1104","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513267","5.063","0.0011","5.6437","0.0012","35.086","0.007","88.678","0.004","87.339","0.004","81.574","0.004","990.5","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H38 N O2 -","- C18 H38 N O2 -","- C36 H76 N2 O4 -","2","1","","Sahoo, Pathik; Adarsh, N. N.; Chacko, George E.; Raghavan, Srinivasa R.; Puranik, Vedavati G.; Dastidar, Parthasarathi","Combinatorial Library of Primaryalkylammonium Dicarboxylate Gelators: A Supramolecular Synthon Approach†","Langmuir","2009","25","15","8742","8750","10.1021/la9001362","","","0.71073","MoKα","","0.1538","0.1114","","","0.2372","0.2555","","","","","","1.173","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513268","9.3702","0.0004","9.6182","0.0004","23.4102","0.001","80.173","0.002","83.684","0.002","69.123","0.002","1939.62","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H74 N2 O5 -","- C38 H74 N2 O5 -","- C76 H148 N4 O10 -","2","1","","Sahoo, Pathik; Adarsh, N. N.; Chacko, George E.; Raghavan, Srinivasa R.; Puranik, Vedavati G.; Dastidar, Parthasarathi","Combinatorial Library of Primaryalkylammonium Dicarboxylate Gelators: A Supramolecular Synthon Approach†","Langmuir","2009","25","15","8742","8750","10.1021/la9001362","","","0.71073","MoKα","","0.0737","0.0473","","","0.1311","0.1494","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513269","11.012","0.002","13.036","0.003","28.999","0.006","84.282","0.003","88.588","0.003","82.56","0.003","4107","1.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H144 N4 O10 -","- C76 H113 N4 O10 -","- C152 H226 N8 O20 -","2","1","","Sahoo, Pathik; Adarsh, N. N.; Chacko, George E.; Raghavan, Srinivasa R.; Puranik, Vedavati G.; Dastidar, Parthasarathi","Combinatorial Library of Primaryalkylammonium Dicarboxylate Gelators: A Supramolecular Synthon Approach†","Langmuir","2009","25","15","8742","8750","10.1021/la9001362","","","0.71073","MoKα","","0.1194","0.0882","","","0.2734","0.3058","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513270","5.7422","0.0017","10.188","0.003","33.233","0.01","96.423","0.004","94.766","0.004","101.674","0.004","1880.8","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H76 N2 O4 -","- C36 H76 N2 O4 -","- C72 H152 N4 O8 -","2","1","","Sahoo, Pathik; Adarsh, N. N.; Chacko, George E.; Raghavan, Srinivasa R.; Puranik, Vedavati G.; Dastidar, Parthasarathi","Combinatorial Library of Primaryalkylammonium Dicarboxylate Gelators: A Supramolecular Synthon Approach†","Langmuir","2009","25","15","8742","8750","10.1021/la9001362","","","0.71073","MoKα","","0.1056","0.0566","","","0.1446","0.1847","","","","","","0.939","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513271","13.727","0.003","26.661","0.005","16.663","0.003","90","","101.32","0.03","90","","5980","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H80 Cu N8 O8 -","- C64 H80 Cu N8 O8 -","- C256 H320 Cu4 N32 O32 -","4","1","","Zhang, Yu; Zhang, Zuolun; Zhao, Yunfeng; Fan, Yan; Tong, Tianjian; Zhang, Hongyu; Wang, Yue","Solution-Processed Microwires of Phthalocyanine Copper(II) Derivative with Excellent Conductivity","Langmuir","2009","25","11","6045","6048","10.1021/la901254j","","","0.71073","MoKα","","0.2664","0.1324","","","0.2273","0.2795","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513340","6.0514","0.0001","30.4883","0.0005","9.9339","0.0002","90","","94.478","0.0007","90","","1827.18","0.06","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","Thiosemicarbazone","","","- C18 H19 N3 O S2 -","- C18 H19 N3 O S2 -","- C72 H76 N12 O4 S8 -","4","2","","Kate, Anup N.; Kumbhar, Anupa A.; Khan, Ayesha A.; Joshi, Pranaya V.; Puranik, Vedavati G.","Monitoring Cellular Uptake and Cytotoxicity of Copper(II) Complex Using a Fluorescent Anthracene Thiosemicarbazone Ligand.","Bioconjugate chemistry","2013","25","1","102","","10.1021/bc400385d","","","0.71073","MoKα","","0.054","0.0477","","","0.1235","0.1289","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513905","8.3712","0.0011","14.8036","0.0019","18.193","0.002","90","","90.475","0.002","90","","2254.5","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N3 O8 Re -","- C20 H14 N3 O7 Re -","- C80 H56 N12 O28 Re4 -","4","1","","Kasten, Benjamin B.; Ma, Xiaowei; Liu, Hongguang; Hayes, Thomas R.; Barnes, Charles L.; Qi, Shibo; Cheng, Kai; Bottorff, Shalina C.; Slocumb, Winston S.; Wang, Jing; Cheng, Zhen; Benny, Paul D.","Clickable, Hydrophilic Ligand for fac-[M(I)(CO)3](+) (M = Re/(99m)Tc) Applied in an S-Functionalized α-MSH Peptide.","Bioconjugate chemistry","2014","25","3","579","592","10.1021/bc5000115","","","0.71073","MoKα","","0.0244","0.0194","","","0.0467","0.048","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513960","8.174","0.001","8.174","0.001","8.174","0.001","90","","90","","90","","546.14","0.12","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Lithium Manganese Oxide (0.83/1.76/4)","","- Li0.83 Mn1.76 O4 -","- Li0.83 Mn1.76 O4 -","- Li6.64 Mn14.08 O32 -","8","0.0416667","","de Kock, A.; Rossouw, M. H.; de Picciotto, L. A.; Thackeray, M. M.; David, W. I. F.; Ibberson, R. M.","Defect spinels in the system Li2 O * y(Mn O2) (y>2.5): A neutron- diffraction study and electrochemical characterization of Li2 Mn4 O9","Materials Research Bulletin","1990","25","","657","664","10.1016/0025-5408(90)90032-W","","","","","","0.0236","","","","","","","","","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516445","9.1548","0.0003","14.876","0.0005","22.3887","0.0007","78.557","0.001","84.283","0.002","81.915","0.001","2950.64","0.17","120","2","120","2","","","","","","","","6","P -1","-P 1","2","CuClMe4","","","- C96 H112 Cl6 Cu3 N24 O23.6 -","- C96 H112 Cl6 Cu3 N24 O23.606 -","- C96 H112 Cl6 Cu3 N24 O23.606 -","1","0.5","","Piepenbrock, Marc-Oliver M.; Clarke, Nigel; Steed, Jonathan W.","Metal Ion and Anion-Based “Tuning” of a Supramolecular Metallogel†","Langmuir","2009","25","15","8451","","10.1021/la900145n","","","0.71073","MoKα","","0.1455","0.0756","","","0.1874","0.2298","","","","","","1.04","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1516446","8.9533","0.0018","9.5321","0.0019","16.993","0.003","76.234","0.004","86.011","0.004","84.48","0.004","1400.4","0.5","120","2","120","2","","","","","","","","5","P -1","-P 1","2","08srv055 - interlocked CuNO3 macrocycles","","","- C50 H68 Cu N14 O14 -","- C50 H60 Cu N14 O14 -","- C50 H60 Cu N14 O14 -","1","0.5","","Piepenbrock, Marc-Oliver M.; Clarke, Nigel; Steed, Jonathan W.","Metal Ion and Anion-Based “Tuning” of a Supramolecular Metallogel†","Langmuir","2009","25","15","8451","","10.1021/la900145n","","","0.71073","MoKα","","0.0603","0.0432","","","0.0897","0.0962","","","","","","1.084","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1521796","5.094","","5.094","","5.094","","90","","90","","90","","132.183","","","","","","","","","","","","","2","P m -3 n","-P 4n 2 3","223","","","","- Mo3 Sn -","- Mo3 Sn -","- Mo6 Sn2 -","2","0.0416667","","Killpatrick, D.H.","High-pressure high-temperature synthesis of a new beta-wolfram compound Mo3 Sn","Journal of Physics and Chemistry of Solids","1964","25","","1499","1500","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522091","3.618","","3.618","","3.618","","90","","90","","90","","47.359","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Gd Zn -","- Gd Zn -","- Gd Zn -","1","0.0208333","","Koebler, U.; Kinzel, W.; Zinn, W.","Magnetic phase diagram of Gd Ag1-x Znx","Journal of Magnetism and Magnetic Materials","1981","25","","124","134","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522179","6.625","","4.333","","7.536","","90","","90","","90","","216.329","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Ni Sc Sn -","- Ni Sc Sn -","- Ni4 Sc4 Sn4 -","4","0.5","","Kotur, B.Ya.; Klyuchka, I.P.","New ternary stannides of scandium and cobalt(nickel,copper)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1989","25","","597","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522180","6.228","","6.228","","6.228","","90","","90","","90","","241.572","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Ni2 Sc Sn -","- Ni2 Sc Sn -","- Ni8 Sc4 Sn4 -","4","0.0208333","","Kotur, B.Ya.; Klyuchka, I.P.","New ternary stannides of scandium and cobalt(nickel,copper)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1989","25","","597","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522182","6.897","","6.897","","6.897","","90","","90","","90","","328.081","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Ni4 Sc Sn -","- Ni4 Sc Sn -","- Ni16 Sc4 Sn4 -","4","0.0416667","","Kotur, B.Ya.; Klyuchka, I.P.","New ternary stannides of scandium and cobalt(nickel,copper)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1989","25","","597","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1522477","4.6535","","4.6535","","4.6535","","90","","90","","90","","100.772","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pu0.92 Sc0.08)","","- Pu0.92 Sc0.08 -","- Pu0.92 Sc0.08 -","- Pu3.68 Sc0.32 -","4","0.0208333","","Marples, J.A.C.","The lattice parameters of some delta- and epsilon-plutonium alloys","Journal of Physics and Chemistry of Solids","1964","25","","521","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","142702","2020-10-21","18:00:00",""
"1522478","3.655","","3.655","","3.655","","90","","90","","90","","48.827","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Pu0.92 Sc0.08)","","- Pu0.92 Sc0.08 -","- Pu0.92 Sc0.08 -","- Pu1.84 Sc0.16 -","2","0.0208333","","Marples, J.A.C.","The lattice parameters of some delta- and epsilon-plutonium alloys","Journal of Physics and Chemistry of Solids","1964","25","","521","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","142703","2020-10-21","18:00:00",""
"1522479","3.612","","3.612","","3.612","","90","","90","","90","","47.124","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Pu0.92 U0.08)","","- Pu0.92 U0.08 -","- Pu0.92 U0.08 -","- Pu1.84 U0.16 -","2","0.0208333","","Marples, J.A.C.","The lattice parameters of some delta- and epsilon-plutonium alloys","Journal of Physics and Chemistry of Solids","1964","25","","521","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","142704","2020-10-21","18:00:00",""
"1522480","3.6413","","3.6413","","3.6413","","90","","90","","90","","48.28","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Pu0.8 Zr0.2)","","- Pu0.8 Zr0.2 -","- Pu0.8 Zr0.2 -","- Pu1.6 Zr0.4 -","2","0.0208333","","Marples, J.A.C.","The lattice parameters of some delta- and epsilon-plutonium alloys","Journal of Physics and Chemistry of Solids","1964","25","","521","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","142705","2020-10-21","18:00:00",""
"1522481","3.635","","3.635","","3.635","","90","","90","","90","","48.03","","","","","","","","","","","","","2","I m -3 m","-I 4 2 3","229","","(Hf0.08 Pu0.92)","","- Hf0.08 Pu0.92 -","- Hf0.08 Pu0.92 -","- Hf0.16 Pu1.84 -","2","0.0208333","","Marples, J.A.C.","The lattice parameters of some delta- and epsilon-plutonium alloys","Journal of Physics and Chemistry of Solids","1964","25","","521","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","142706","2020-10-21","18:00:00",""
"1522575","6.096","","6.096","","6.096","","90","","90","","90","","226.535","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Pb0.85 Pr0.1) Se","","- Pb0.85 Pr0.1 Se -","- Pb0.85 Pr0.1 Se -","- Pb3.4 Pr0.4 Se4 -","4","0.0208333","","Nasibov, I.O.; Sultanov, T.I.; Murguzov, M.I.; Shafagatova, G.G.","Physicochemical and electric properties of the solid solutions P (Pr2 Se3)x - (Pb Se)1-x (X=0.0.05)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1989","25","","485","487","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1522635","7.335","","7.335","","7.335","","90","","90","","90","","394.639","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Nb0.2 Zr0.8) Zn2","","- Nb0.2 Zn2 Zr0.8 -","- Nb0.2 Zn2 Zr0.8 -","- Nb1.6 Zn16 Zr6.4 -","8","0.0416667","","Ogawa, S.","Magnetic properties of Zr1-x Tix Zn2, Zr1-x Yx Zn2, Zr1-x Nbx Tn2 and Zr1-x Hfx Zn2","Journal of the Physical Society of Japan","1968","25","","109","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1522636","7.38","","7.38","","7.38","","90","","90","","90","","401.947","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Hf0.3 Zr0.7) Zn2","","- Hf0.3 Zn2 Zr0.7 -","- Hf0.3 Zn2 Zr0.7 -","- Hf2.4 Zn16 Zr5.6 -","8","0.0416667","","Ogawa, S.","Magnetic properties of Zr1-x Tix Zn2, Zr1-x Yx Zn2, Zr1-x Nbx Zn2 and Zr1-x Hfx Zn2","Journal of the Physical Society of Japan","1968","25","","109","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1523164","3.764","","10.329","","4.242","","90","","90","","90","","164.922","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Gd Ni -","- Gd Ni -","- Gd4 Ni4 -","4","0.25","","Abrahams, S.C.; Sherwood, R.C.; Bernstein, J.L.; Wernick, J.H.; Williams, H.J.","The crystal structure and magnetic properties of the rare-earth nickel (R Ni) compounds","Journal of Physics and Chemistry of Solids","1964","25","","1069","1080","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523241","7.028","","4.751","","5.658","","90","","90","","90","","188.921","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Pd Pu -","- Pd Pu -","- Pd4 Pu4 -","4","0.5","","Beznosikova, A.V.; Smotritskaya, E.S.; Chebotarev, N.T.","Structure of the compound Pu Pd","Atomnaya Energiya","1968","25","","430","431","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523252","2.549","","2.549","","43.648","","90","","90","","120","","245.604","","","","","","","","","","","","","2","R -3 m :H","-R 3 2""","166","","","","- Ni2 Ti -","- Ni2.01 Ti0.99 -","- Ni14.07 Ti6.93 -","7","0.194444","","Bhan, S.","Structure of high temperature Ti (Ti.11 Ni.89)3 phase","Journal of the Less-Common Metals","1971","25","","215","220","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523755","10.273","","8.357","","4.225","","90","","90","","99.32","","357.934","","","","","","","","","","","","","3","A 1 1 2/m","-A 2","12","","","","- Ga2 La3 Ni4 -","- Ga2 La3 Ni4 -","- Ga4 La6 Ni8 -","2","0.25","","Grin', Yu.; Yarmolyuk, Ya.P.","Crystal structure of the compounds La3 Ga2 Ni4 and Pr3 Ga2 Ni4","Kristallografiya","1980","25","","613","616","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1523758","4.112","","4.112","","4.958","","90","","90","","120","","72.601","","","","","","","","","","","","","3","P -3 m 1","-P 3 2""","164","","Al3 (Co0.275 Cu0.725)2","","- Al3 Co0.55 Cu1.45 -","- Al3 Co0.55 Cu1.45 -","- Al3 Co0.55 Cu1.45 -","1","0.0833333","","Grushko, B.; Urban, K.; Freiburg, Ch.","An Al~3~Ni~2~-type phase in the Al-Cu-Co system","Scripta Metallurgica et Materialia","1991","25","11","2533","2536","10.1016/0956-716X(91)90063-7","","","","","","","","","","","","","","","","","","","","","has coordinates","174933","2020-10-21","18:00:00",""
"1524108","5.261","","5.261","","4.058","","90","","90","","120","","97.27","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Cu5 Sr -","- Cu5 Sr -","- Cu5 Sr -","1","0.0416667","","Bruzzone, G.","The binary systems calcium-copper, strontium copper and barium-copper","Journal of the Less-Common Metals","1971","25","","361","366","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524143","5.95","","5.95","","5.95","","90","","90","","90","","210.645","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Co2 Ga Nb -","- Co2 Ga Nb -","- Co8 Ga4 Nb4 -","4","0.0208333","","Buschow, K.H.J.; van Engen, P.G.","Magnetic and magneto-optical properties of Heusler alloys based on aluminium and gallium","Journal of Magnetism and Magnetic Materials","1981","25","","90","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524145","5.824","","5.824","","5.824","","90","","90","","90","","197.544","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Cr Fe2 Ga -","- Cr Fe2 Ga -","- Cr4 Fe8 Ga4 -","4","0.0208333","","Buschow, K.H.J.; van Engen, P.G.","Magnetic and magneto-optical properties of Heusler alloys based on aluminium and gallium","Journal of Magnetism and Magnetic Materials","1981","25","","90","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524146","5.767","","5.767","","5.767","","90","","90","","90","","191.801","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Co Fe2 Ga -","- Co Fe2 Ga -","- Co4 Fe8 Ga4 -","4","0.0208333","","Buschow, K.H.J.; van Engen, P.G.","Magnetic and magneto-optical properties of Heusler alloys based on aluminium and gallium","Journal of Magnetism and Magnetic Materials","1981","25","","90","96","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524171","3.429","","3.429","","3.429","","90","","90","","90","","40.318","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Cu Er -","- Cu Er -","- Cu Er -","1","0.0208333","","Buschow, K.H.J.","The erbium-copper system","Philips Research Reports","1970","25","","227","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524431","6.086","","6.086","","6.086","","90","","90","","90","","225.422","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(Co Ni) Sn Ti","","- Co Ni Sn Ti -","- Co Ni Sn Ti -","- Co4 Ni4 Sn4 Ti4 -","4","0.0208333","","Goerlich, E.A.; Latka, K.; Szytula, A.; Wagner, D.; Kmiec, R.; Ruebenbauer, K.","Magnetic ordering in the system Co2-x Nix Ti Sn studied by 119Sn-Moessbauer spectroscopy and magnetization measurements","Solid State Communications","1978","25","","661","663","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1524585","6.97","","6.97","","6.97","","90","","90","","90","","338.609","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Cu5 Lu -","- Cu5 Lu -","- Cu20 Lu4 -","4","0.0416667","","Iandelli, A.; Palenzona, A.","The ytterbium-copper system","Journal of the Less-Common Metals","1971","25","","333","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524586","7.568","","4.26","","5.771","","90","","90","","90","","186.055","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Cu Yb -","- Cu Yb -","- Cu4 Yb4 -","4","0.5","","Iandelli, A.; Palenzona, A.","The ytterbium-copper system","Journal of the Less-Common Metals","1971","25","","333","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524587","4.291","","6.899","","7.386","","90","","90","","90","","218.652","","","","","","","","","","","","","2","I m m a","-I 2b 2","74","","","","- Cu2 Yb -","- Cu2 Yb -","- Cu8 Yb4 -","4","0.25","","Iandelli, A.; Palenzona, A.","The ytterbium-copper system","Journal of the Less-Common Metals","1971","25","","333","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524588","4.994","","4.994","","4.126","","90","","90","","120","","89.116","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Cu5 Yb -","- Cu5 Yb -","- Cu5 Yb -","1","0.0416667","","Iandelli, A.; Palenzona, A.","The ytterbium-copper system","Journal of the Less-Common Metals","1971","25","","333","335","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1524743","6.188","","6.188","","6.188","","90","","90","","90","","236.947","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","","","- Co2 Sc Sn -","- Co2 Sc Sn -","- Co8 Sc4 Sn4 -","4","0.0208333","","Kotur, B.Ya.; Klyuchka, L.P.","New ternary stannides of scandium and cobalt (nickel, copper)","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1989","25","","597","599","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525048","15.638","","15.638","","15.638","","90","","90","","90","","3824.23","","","","","","","","","","","","","2","I 2 3","I 2 2 3","197","","","","- Cd6 Yb -","- Cd6 Yb -","- Cd144 Yb24 -","24","1","","Palenzona, A.","The ytterbium-cadmium system","Journal of the Less-Common Metals","1971","25","","367","372","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525059","4.445","","18.068","","4.524","","90","","90","","90","","363.333","","","","","","","","","","","","","3","C m c m","-C 2c 2","63","","","","- Ce Li Sn2 -","- Ce Li Sn2 -","- Ce4 Li4 Sn8 -","4","0.25","","Pavlyuk, V.V.; Bodak, O.I.; Pecharskii, V.K.; Gladyshevskii, E.I.; Skolozdra, R.V.","New ternary stannides of rare-earth metals and lithium","Izvestiya Akademii Nauk SSSR, Neorganicheskie Materialy","1989","25","","1145","1148","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525107","7.23","","7.23","","7.23","","90","","90","","90","","377.933","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Co1.4 Fe0.6) Er","","- Co1.4 Er Fe0.6 -","- Co1.4 Er Fe0.6 -","- Co11.2 Er8 Fe4.8 -","8","0.0416667","","Pourarian, F.; Wallace, W.E.; Malik, S.K.","Magnetic behaviour of Laves phase R Co2-x Fex (R= Ho, Er) compounds and their hydrides","Journal of Magnetism and Magnetic Materials","1981","25","","299","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525108","7.227","","7.227","","7.227","","90","","90","","90","","377.463","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Co1.4 Fe0.6) Ho","","- Co1.4 Fe0.6 Ho -","- Co1.4 Fe0.6 Ho -","- Co11.2 Fe4.8 Ho8 -","8","0.0416667","","Pourarian, F.; Malik, S.K.; Wallace, W.E.","Magnetic behaviour of Laves phase R Co2-x Fex (R= Ho, Er) compounds and their hydrides","Journal of Magnetism and Magnetic Materials","1981","25","","299","306","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525122","5.303","","5.303","","4.418","","90","","90","","120","","107.597","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Cm Pt5 -","- Cm Pt5 -","- Cm Pt5 -","1","0.0416667","","Radchenko, V.M.; Shushakov, V.D.; Ryabinin, M.A.; Seleznev, A.G.; Shushakova, T.V.; Vasil'ev, V.Ya.","Synthesis and study of binary compounds of actinides and lanthanides","Radiokhimiya","1983","25","","649","652","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525211","8.1103","","5.0817","","10.1046","","90","","90","","90","","416.452","","","","","","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- Cu6 Th -","- Cu6 Th -","- Cu24 Th4 -","4","0.5","","Schiltz, R.J.; Stevens, E.R.jr.; Carlson, O.N.","The thorium-copper system","Journal of the Less-Common Metals","1971","25","","175","185","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1525413","6.083","","6.083","","6.083","","90","","90","","90","","225.089","","","","","","","","","","","","","4","F m -3 m","-F 4 2 3","225","","(Co Cu) Mn Sn","","- Co Cu Mn Sn -","- Co Cu Mn Sn -","- Co4 Cu4 Mn4 Sn4 -","4","0.0208333","","Uhl, E.","Magnetic properties of new Heusler alloys (Cu1-x Cox) Mn Sn","Journal of Magnetism and Magnetic Materials","1981","25","","221","227","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1525531","2.677","","2.677","","3.865","","90","","90","","90","","27.698","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","(Co0.5 Pt0.5)","","- Co0.5 Pt0.5 -","- Co0.5 Pt0.5 -","- Co Pt -","2","0.125","","van Laar, B.","The magnetic structure of Co Pt","Journal de Physique (Paris)","1964","25","","600","603","","","","","","","","","","","","","","","","","","","","","","has coordinates","146524","2020-10-21","18:00:00",""
"1526102","16.095","","16.095","","16.095","","90","","90","","90","","4169.39","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Sr3 (Ga2 O6)","","- Ga2 O6 Sr3 -","- Ga2 O6 Sr3 -","- Ga48 O144 Sr72 -","24","1","","Naganuma, J.; Matoba, M.","Crystal Structure and Magnetization of Perovskite-related Ga Oxides, Sr~3~(Ga~1-x~Mn~x~)~2~O~6~","Nippon Oyo Jiki Gakkaishi","2001","25","","719","722","10.3379/jmsjmag.25.719","","","","","","","","","","","","","","","","","","","","","has coordinates","176256","2020-10-21","18:00:00",""
"1526990","4.683","","3.4203","","5.1245","","90","","99.707","","90","","80.905","","","","","","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- Cu O -","- Cu O -","- Cu4 O4 -","4","0.5","","Yamada, H.; Soejima, Y.; Kawaminami, M.; Zheng, X.G.","Structural study of Cu O at low temperatures","Transaction of the Material Research Society of Japan","2000","25","","1199","1202","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1527067","3.557","","3.557","","3.557","","90","","90","","90","","45.004","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Gd0.5 Tm0.5) Zn","","- Gd0.5 Tm0.5 Zn -","- Gd0.5 Tm0.5 Zn -","- Gd0.5 Tm0.5 Zn -","1","0.0208333","","Adamyan, V.E.; Aleksandryan, V.V.; Artsruni, A.A.; Melikyan, M.A.; Ovsepyan, S.O.","Temperature dependence of magnetic susceptibility, magnetization, and resistivity of Gdx Tm1-x Zn solid solutions","Izvestiya Akademii Nauk Armyanskoi SSR, Fizika","1990","25","","211","215","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527068","9.565","","7.158","","18.976","","90","","90","","90","","1299.22","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","Zn (N3)2 (N H3)2","","- H6 N8 Zn -","- H6 N8 Zn -","- H48 N64 Zn8 -","8","1","","Agrell, I.; Vannerberg, N.G.","The crystal structure of diazidodiamminezinc(II), Zn (N3)2 (N H3)2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","1630","1644","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1527175","20.718","","9.326","","12.59","","90","","90","","90","","2432.59","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","(N H4)2 (Se (S2 O3)2) (H2 O)1.5","","- H11 N2 O7.5 S4 Se -","- H11 N2 O7.5 S4 Se -","- H88 N16 O60 S32 Se8 -","8","1","","Boyum, K.; Maroy, K.","The crystal structure of ammonium elenopentathionate hemitrihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","2569","2579","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1527211","3.5161","","14.6605","","18.8303","","90","","90","","90","","970.66","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Nb4 As3","","- As3 Nb4 -","- As3 Nb4 -","- As24 Nb32 -","8","0.5","","Carlsson, B.; Rundqvist, S.","The crystal structure of Nb4 As3","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","1742","1752","","","","","","","","","","","","","","","","","","","","","","has coordinates","148639","2020-10-21","18:00:00",""
"1527488","16.71","","4.833","","22.808","","90","","90","","90","","1841.96","","","","","","","","","","","","","6","F m 2 m","F -2 -2","42","","Rb (Se C N)3 (H2 O)0.5","","- C3 H N3 O0.5 Rb Se3 -","- C3 N3 O0.5 Rb Se3 -","- C24 N24 O4 Rb8 Se24 -","8","0.5","","Hauge, S.","The crystal structure of rubidium triselenocyanate hemihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","3103","3110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527594","5.6737","","7.8194","","10.6338","","90","","90","","90","","471.768","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N2 H5 H2 P O4","","- H7 N2 O4 P -","- H7 N2 O4 P -","- H28 N8 O16 P4 -","4","1","","Joensson, P.G.; Liminga, R.","Hydrogen bond studies. 48. Neutron diffraction study of hydrazinium dihydrogen phosphate, N2 H5 H2 P O4","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","1729","1741","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527609","16.988","","4.443","","23.59","","90","","95.7","","90","","1771.71","","","","","","","","","","","","","6","C 1 2 1","C 2y","5","","K (Se C N)3 (H2 O)0.5","","- C3 H K N3 O0.5 Se3 -","- C1.5 K0.5 N1.5 O0.25 Se1.5 -","- C12 K4 N12 O2 Se12 -","8","2","","Hauge, S.; Sletten, J.","The crystal structure of potassium triselenocyanate hemihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","3094","3102","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527724","16.176","","6.259","","6.309","","90","","90","","90","","638.758","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","K D3 (Se O3)2","","- D3 K O6 Se2 -","- D3 K O6 Se2 -","- D12 K4 O24 Se8 -","4","0.5","","Lehmann, M.S.; Larsen, F.K.","The hydrogen bond system in potassium trihydrogen bis-selenite, K H3 (Se O3)2, and in potassium trideuterio bis- selenite K D3 (Se O3)2, as determined by neutron diffraction","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","3859","3871","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527736","13.714","","7.602","","7.701","","90","","93.35","","90","","801.487","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Rb2 Cr2 O7","","- Cr2 O7 Rb2 -","- Cr2 O7 Rb2 -","- Cr8 O28 Rb8 -","4","1","","Loefgren, P.","The crystal structure of rubidium dichromate Rb2 Cr2 O7 (P21/n)","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","44","58","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527737","13.332","","7.552","","7.734","","90","","92.04","","90","","778.191","","","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Rb2 Cr2 O7","","- Cr2 O7 Rb2 -","- Cr2 O7 Rb2 -","- Cr8 O28 Rb8 -","4","0.5","","Loefgren, P.; Waltersson, K.","The crystal structure of rubidium dichromate Rb2 Cr2 O7 (C2/c)","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","35","43","","","","","","","","","","","","","","","","","","","","","","has coordinates","149463","2020-10-21","18:00:00",""
"1527738","19.04","","11.52","","9.36","","90","","90","","90","","2053.03","","","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","Rb2 Cr3 O10","","- Cr3 O10 Rb2 -","- Cr3 O10 Rb2 -","- Cr24 O80 Rb16 -","8","1","","Loefgren, P.","On the crystal structures of Rb2 Cr3 O10 and Rb2 Cr4 O13","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","3893","3895","","","","","","","","","","","","","","","","","","","","","","has coordinates","149464","2020-10-21","18:00:00",""
"1527739","17.67","","7.69","","9.49","","90","","92","","90","","1288.74","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Rb2 Cr4 O13","","- Cr4 O13 Rb2 -","- Cr4 O13 Rb2 -","- Cr16 O52 Rb8 -","4","1","","Loefgren, P.","On the crystal structures of Rb2 Cr3 O10 and Rb2 Cr4 O13","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","3893","3895","","","","","","","","","","","","","","","","","","","","","","has coordinates","149465","2020-10-21","18:00:00",""
"1527764","20.316","","9.229","","12.248","","90","","90","","90","","2296.46","","","","","","","","","","","","","4","P b c n","-P 2n 2ab","60","","K2 (S3 (S O3)2) (H2 O)1.5","","- H3 K2 O7.5 S5 -","- H3 K2 O7.5 S5 -","- H24 K16 O60 S40 -","8","1","","Maroy, K.","The crystal structure of potassium pentathionate hemitrihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","2580","2590","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1527765","21.32","","9.446","","12.437","","90","","90","","90","","2504.67","","","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","Rb2 (Te (S2 O3)2) (H2 O)1.5","","- H3 O7.5 Rb2 S4 Te -","- H3 O7.5 Rb2 S4 Te -","- H24 O60 Rb16 S32 Te8 -","8","1","","Maroy, K.","The crystal structure of rubidium telluropentathionate hemitrihydrate","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","2557","2568","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1527870","8.58","","7.53","","7.7","","90","","106.03","","90","","478.134","","","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","Ba Te O3 H2 O","","- Ba H2 O4 Te -","- Ba H2 O4 Te -","- Ba4 H8 O16 Te4 -","4","1","","Nielsen, B.R.; Hazell, R.G.; Rasmussen, S.E.","The crystal structure of barium tellurite monohydrate, Ba Te O3 H2 O","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","3037","3042","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1527874","5.809","","5.809","","5.809","","90","","90","","90","","196.022","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Cr3 Fe9) Ga4","","- Cr3 Fe9 Ga4 -","- Cr3 Fe9 Ga4 -","- Cr3 Fe9 Ga4 -","1","0.00520833","","Nishino, Y.; Matsuo, M.; Asano, S.; Kawamiya, N.","Stability of the DO~3~ phase in (Fe~1-x~M~x~)~3~Ga (M = 3d transition metals)","Scripta Metallurgica et Materialia","1991","25","10","2291","2296","10.1016/0956-716X(91)90017-U","","","","","","","","","","","","","","","","","","","","","has coordinates","174934","2020-10-21","18:00:00",""
"1527875","5.772","","5.772","","5.772","","90","","90","","90","","192.3","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Fe0.6 Ni0.4)3 Ga","","- Fe1.8 Ga Ni1.2 -","- Fe1.8 Ga Ni1.2 -","- Fe7.2 Ga4 Ni4.8 -","4","0.0208333","","Nishino, Y.; Matsuo, M.; Asano, S.; Kawamiya, N.","Stability of the DO~3~ phase in (Fe~1-x~M~x~)~3~Ga (M = 3d transition metals)","Scripta Metallurgica et Materialia","1991","25","10","2291","2296","10.1016/0956-716X(91)90017-U","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527876","5.827","","5.827","","5.827","","90","","90","","90","","197.85","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Fe0.85 Ti0.15)3 Ga","","- Fe2.55 Ga Ti0.45 -","- Fe2.55 Ga Ti0.45 -","- Fe10.2 Ga4 Ti1.8 -","4","0.0208333","","Nishino, Y.; Matsuo, M.; Asano, S.; Kawamiya, N.","Stability of the DO~3~ phase in (Fe~1-x~M~x~)~3~Ga (M = 3d transition metals)","Scripta Metallurgica et Materialia","1991","25","10","2291","2296","10.1016/0956-716X(91)90017-U","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527877","5.785","","5.785","","5.785","","90","","90","","90","","193.602","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","(Fe0.6 V0.4)3 Ga","","- Fe1.8 Ga V1.2 -","- Fe1.8 Ga V1.2 -","- Fe7.2 Ga4 V4.8 -","4","0.0208333","","Nishino, Y.; Matsuo, M.; Asano, S.; Kawamiya, N.","Stability of the DO~3~ phase in (Fe~1-x~M~x~)~3~Ga (M = 3d transition metals)","Scripta Metallurgica et Materialia","1991","25","10","2291","2296","10.1016/0956-716X(91)90017-U","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527891","8.6252","","9.3445","","11.5008","","90","","90","","90","","926.944","","","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","K Hg I3 H2 O","","- H2 Hg I3 K O -","- Hg I3 K O -","- Hg4 I12 K4 O4 -","4","1","","Nyqvist, L.; Johansson, G.","The crystal structure of potassium triiodidomercurate(II) monohydrate, K Hg I3 H2 O","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","1615","1629","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1527896","7.406","","7.406","","7.406","","90","","90","","90","","406.21","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Y0.1 Zr0.9) Zn2","","- Y0.1 Zn2 Zr0.9 -","- Y0.1 Zn2 Zr0.9 -","- Y0.8 Zn16 Zr7.2 -","8","0.0416667","","Ogawa, S.","Magnetic properties of Zr1-x Tix Zn2, Zr1-x Yx Zn2 and Zr1-x Hfx Zn2","Journal of the Physical Society of Japan","1968","25","","109","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1527898","6.465","","6.9249","","12.118","","90","","90","","90","","542.517","","","","","","","","","","","","","2","P m c 21","P 2c -2","26","","Tl P5","","- P5 Tl -","- P5 Tl -","- P20 Tl4 -","4","1","","Olofsson, O.; Gullman, J.","The crystal structure of Tl P5","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","1327","1337","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528003","3.437","","11.86","","17.06","","90","","90","","90","","695.414","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","","","- Ni5 Se5 -","- Ni5 Se5 -","- Ni20 Se20 -","4","0.25","","Rost, E.; Haugsten, K.","The crystal structure of Ni6+x Se5","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","3194","3196","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528106","6.962","","10.118","","16.212","","90","","95.43","","90","","1136.87","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(N H4)4 O (V O (O2)2)2","","- H16 N4 O11 V2 -","- H16 N4 O11 V2 -","- H64 N16 O44 V8 -","4","1","","Svensson, I.B.; Stomberg, R.","Studies on peroxovanadates. I. The crystal structure of ammonium mue-oxo-bis(oxodiperoxovanadate(V)), (N H4)4 O (V O (O2)2)2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","898","910","","","","","","","","","","","","","","","","","","","","","","has coordinates","186594","2020-10-21","18:00:00",""
"1528154","9.8","","11.4","","9","","90","","97.5","","90","","996.878","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Na4 Fe (C N)6 (H2 O)10","","- C6 H20 Fe N6 Na4 O10 -","- C6 H20 Fe N6 Na4 O10 -","- C12 H40 Fe2 N12 Na8 O20 -","2","0.5","","Tullberg, A.; Vannerberg, N.G.","The crystal structures of Na4 Fe (C N)6 (H2 O)10 and Na4 Mn (C N)6 (H2 O)10","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","343","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528155","9.8","","11.4","","9","","90","","97.5","","90","","996.878","","","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","Na4 Mn (C N)6 (H2 O)10","","- C6 H20 Mn N6 Na4 O10 -","- C6 H20 Mn N6 Na4 O10 -","- C12 H40 Mn2 N12 Na8 O20 -","2","0.5","","Tullberg, A.; Vannerberg, N.G.","The crystal structures of Na4 Fe (C N)6 (H2 O)10 and Na4 Mn (C N)6 (H2 O)10","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","343","344","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528198","16.0109","","6.4341","","8.043","","90","","90","","90","","828.556","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","W2 O3 (As O4)2","","- As2 O11 W2 -","- As2 O11 W2 -","- As8 O44 W8 -","4","0.5","","Westerlund-Sundbaeck, M.","The crystal structure of W2 O3 (As O4)2","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","1429","1438","","","","","","","","","","","","","","","","","","","","","","has coordinates","150173","2020-10-21","18:00:00",""
"1528306","7.5393","","8.1021","","6.2764","","113.65","","98.42","","74.19","","337.604","","","","","","","","","","","","","3","P -1","-P 1","2","","Cu4 (P O4)2 O","","- Cu4 O9 P2 -","- Cu4 O9 P2 -","- Cu8 O18 P4 -","2","1","","Anderson, J.B.; Shoemaker, G.L.; Kostiner, E.","The crystal structure of Cu4 (P O4)2 O","Journal of Solid State Chemistry","1978","25","","49","57","","","","","","","","","","","","","","","","","","","","","","has coordinates","150336","2020-10-21","18:00:00",""
"1528313","7.17","","7.17","","17.46","","90","","90","","120","","777.344","","","","","","","","","","","","","2","P 31","P 31","144","","","","- Fe7 Se8 -","- Fe7 Se8 -","- Fe21 Se24 -","3","1","","Andresen, A.F.; Leciejewicz, J.","A neutron diffraction study of Fe7 Se8","Journal de Physique (Paris)","1964","25","","574","578","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528665","9.071","","11.813","","13.659","","90","","101.41","","90","","1434.71","","","","","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","Sr (Pb Cl3)2 (H2 O)5","","- Cl6 H10 O5 Pb2 Sr -","- Cl6 H10 O5 Pb2 Sr -","- Cl24 H40 O20 Pb8 Sr4 -","4","0.5","","Abraham, I.; Benoit, D.M.; Demetriou, D.Z.; Mustarde, K.; Vordemvenne, E.","Lone pair effects in trihalo-stannate and -plumbate anions in the crystal structures of Sr(MX3)(2) center dot 5H(2)O(M = Sn, X = Cl, Br; M = Pb, X = Br)","Polyhedron","2006","25","","996","1002","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1528716","6.308","","6.308","","6.56","","90","","90","","120","","226.057","","","","","","","","","","","","","2","P -3 c 1","-P 3 2""c","165","","Ho D3","","- D3 Ho -","- D3 Ho -","- D18 Ho6 -","6","0.5","","Mansmann, M.; Wallace, W.E.","The Structure of Ho D3","Journal de Physique (Paris)","1964","25","","454","459","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529644","6.717","","10.9","","9.696","","90","","132.7","","90","","521.713","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ba Cl2 (H2 O)2","","- Ba Cl2 H4 O2 -","- Ba Cl2 H4 O2 -","- Ba4 Cl8 H16 O8 -","4","1","","Bochkova, R.I.; Grishin, I.A.; Kuz'min, E.A.; Belov, N.V.","Refinement of the crystal structure of barium chloride dihydrate Ba Cl2 (H2 O)2","Kristallografiya","1980","25","","1064","1065","","","","","","","","","","","","","","","","","","","","","","has coordinates","186638","2020-10-21","18:00:00",""
"1529749","7.455","","8.955","","5.916","","90","","90","","90","","394.949","","","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Ca Ni (As O4) (O H)","","- As Ca H Ni O5 -","- As Ca H Ni O5 -","- As4 Ca4 H4 Ni4 O20 -","4","1","","Cesbron, F.; Pillard, F.; Ginderow, D.; Giraud, R.; Pelisson, P.","La nickelaustinite, Ca (Ni, Zn) (As O4) (O H): Nouvelle espece minerale du district Cobalto-Nickelifere de Bou-Azzer, Maroc","Canadian Mineralogist","1987","25","","401","407","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529755","3.997","","3.997","","7.103","","90","","90","","120","","98.274","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Ca (U F6)","","- Ca F6 U -","- Ca F6 U -","- Ca F6 U -","1","0.0416667","","Chebotarev, N.T.; Beznosikova, A.V.","The study of the structure of the compound Ca U F6","Atomnaya Energiya","1968","25","","321","324","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529836","11.409","","11.409","","11.453","","90","","90","","90","","1490.78","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Na5 Tb (Mo O4)4","","- Mo4 Na5 O16 Tb -","- Mo4 Na5 O16 Tb -","- Mo16 Na20 O64 Tb4 -","4","0.25","","Efremov, V.A.; Berezina, T.A.; Trunov, V.K.; Averina, I.M.","Structure of Na5 Tb (Mo O4)4, Na5 Lu (Mo O4)4, and Na5 Lu (W O4)4","Kristallografiya","1980","25","","254","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529837","11.323","","11.323","","11.385","","90","","90","","90","","1459.68","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Na5 Lu (Mo O4)4","","- Lu Mo4 Na5 O16 -","- Lu Mo4 Na5 O16 -","- Lu4 Mo16 Na20 O64 -","4","0.25","","Efremov, V.A.; Trunov, V.K.; Berezina, T.A.; Averina, I.M.","Structure of Na5 Tb (Mo O4)4, Na5 Lu (Mo O4)4, and Na5 Lu (W O4)4","Kristallografiya","1980","25","","254","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529891","11.387","","11.387","","11.282","","90","","90","","90","","1462.87","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Na5 Lu (W O4)4","","- Lu Na5 O16 W4 -","- Lu Na5 O16 W4 -","- Lu4 Na20 O64 W16 -","4","0.25","","Efremov, V.A.; Berezina, T.A.; Averina, I.M.; Trunov, V.K.","Structure of Na5 Tb (Mo O4)4, Na5 Lu (Mo O4)4, and Na5 Lu (W O4)4","Kristallografiya","1980","25","","254","261","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529988","3.847","","3.847","","4.146","","90","","90","","120","","53.138","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","Tb Si2","","- Si2 Tb -","- Si2 Tb -","- Si2 Tb -","1","0.0416667","","Gladyshevskii, E.I.","The crystal structures of silicon-rich silicides of rare-earth elements of the yttrium group","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki","1963","25","","886","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1529989","3.83","","3.83","","4.11","","90","","90","","120","","52.212","","","","","","","","","","","","","2","P 6/m m m","-P 6 2","191","","","","- Dy Si2 -","- Dy Si2 -","- Dy Si2 -","1","0.0416667","","Gladyshevskii, E.I.","The crystal structures of silicon-rich silicides of rare-earth elements of the yttrium group","Dopovidi Akademii Nauk Ukrains'koi RSR, Seriya A: Fiziko-Matematichni Ta Tekhnichni Nauki","1963","25","","886","888","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1530054","11.065","","11.065","","6.862","","90","","90","","90","","840.144","","","","","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","(N H4)2 Pd (S6)1.88 (H2 O)2","","- H12 N2 O2 Pd S11.28 -","- N2 O2 Pd S11.28 -","- N4 O4 Pd2 S22.56 -","2","0.125","","Haradem, P.S.; Cronin, J.L.; Krause, R.A.; Katz, L.","Chemical and structural characterization of a palladium polysulfide, (N H4)2 Pd S11 (H2 O)2","Inorganica Chimica Acta","1977","25","","173","179","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530172","31.775","","10.594","","10.603","","90","","90","","90","","3569.23","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","K2 Mg2 (Mo O4)3","","- K2 Mg2 Mo3 O12 -","- K2 Mg2 Mo3 O12 -","- K24 Mg24 Mo36 O144 -","12","3","","Klevtsov, P.V.; Klevtsova, R.F.; Kim, V.G.","Thermal stability and synthesis of crystals of double molybdates (K2 R2)(2+) (Mo O4)3 (R = Mg, Ni, Co, or Zn), and crystal structure of beta-K2 Mg2 (Mo O4)3","Kristallografiya","1980","25","","301","311","","","","","","","","","","","","","","","","","","","","","","has coordinates","155160","2020-10-21","18:00:00",""
"1530182","19.341","","6.95","","10.782","","90","","105.4","","90","","1397.28","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","Cs2 Hf (Mo O4)3","","- Cs2 Hf Mo3 O12 -","- Cs2 Hf Mo3 O12 -","- Cs8 Hf4 Mo12 O48 -","4","1","","Klevtsova, R.F.; Antonova, A.A.; Glinskaya, L.A.","Crystal structure of Cs2 Hf (Mo O4)3","Kristallografiya","1980","25","","161","164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530183","10.345","","19.374","","8.291","","90","","108.81","","90","","1572.97","","","","","","","","","","","","","4","C 1 2/m 1","-C 2y","12","","Cs8 Zr (Mo O4)6","","- Cs8 Mo6 O24 Zr -","- Cs8 Mo6 O24 Zr -","- Cs16 Mo12 O48 Zr2 -","2","0.25","","Klevtsova, R.F.; Zolotova, E.S.; Klevtsov, P.V.; Glinskaya, L.A.","Synthesis of double molybdates of zirconium and hafnium with cesium, and the crystal structure of Cs8 Zr (Mo O4)6","Kristallografiya","1980","25","","972","978","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530228","10.3507","","10.3507","","10.3507","","90","","90","","90","","1108.94","","","","","","","","","","","","","5","F d -3 m :2","-F 4vw 2vw 3","227","","(N D4) Ta W O6","","- D4 N O6 Ta W -","- D3.66 N O6 Ta W -","- D29.28 N8 O48 Ta8 W8 -","8","0.0416667","","Kuntz, M.; Tomandl, G.; Hoser, A.","Investigation of ammonium sites in proton conducting N H4 Ta W O6/ N D4 Ta W O6 ceramics by neutron powder diffraction","Solid State Ionics","1987","25","","121","130","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530298","6.985","","6.985","","11.865","","90","","90","","90","","578.896","","","","","","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","","K4 U O2 (P O4)2","","- K4 O10 P2 U -","- K4 O10 P2 U -","- K8 O20 P4 U2 -","2","0.125","","Linde, S.A.; Gorbunova, Yu.E.; Lavrov, A.V.","Crystal structure of K4 U O2 (P O4)2","Zhurnal Neorganicheskoi Khimii","1980","25","","1992","1994","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530685","16.03999","","16.03999","","9.479","","90","","90","","120","","2112.04","","","","","","","","","","","","","4","R 3 c :H","R 3 -2""c","161","","Cs3 Yb (S O4)3","","- Cs3 O12 S3 Yb -","- Cs3 O12 S3 Yb -","- Cs18 O72 S18 Yb6 -","6","0.333333","","Samartsev, B.G.; Pokrovskii, A.N.; Kovba, L.M.","Structure of Cs3 Yb (S O4)3","Kristallografiya","1980","25","","394","396","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530700","14.48","","14.28","","14.09","","90","","90","","90","","2913.45","","","","","","","","","","","","","5","B b a 2","B 2 -2ab","41","","(Na1.31 Ca0.38) Zr (Si6 O15)","","- Ca0.38 Na1.31 O15 Si6 Zr -","- Ca0.38 Na1.31 O15 Si6 Zr -","- Ca3.04 Na10.48 O120 Si48 Zr8 -","8","","","Sapozhnikov, A.N.; Kashaev, A.A.","The crystal structure of calcined Ca-containing Elpidite","Kristallografiya","1980","25","","620","623","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1530947","7.137","","7.952","","12.843","","90","","104.11","","90","","706.893","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Li In (Mo O4)2","","- In Li Mo2 O8 -","- In Li Mo2 O8 -","- In4 Li4 Mo8 O32 -","4","1","","Velikodnyi, Yu.A.; Efremova, V.A.; Trunov, V.K.","Crystal structure of high-temperature alpha-Li In (Mo O4)2","Kristallografiya","1980","25","","165","168","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531345","8.935","","11.631","","6.661","","95.58","","90.28","","97.28","","683.293","","","","","","","","","","","","","4","P -1","-P 1","2","","Fe2 (S O4)2 O (H2 O)7","","- Fe2 H14 O16 S2 -","- Fe2 O16 S2 -","- Fe4 O32 S4 -","2","1","","Giacovazzo, C.; Menchetti, S.","Sulla Struttura della Amarantite","Rendiconti della Societa Italiana di Mineralogia e Petrologia","1969","25","","399","406","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531928","3.864","","3.864","","41.8341","","90","","90","","90","","624.604","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","(Ba Bi4) Ti4 O15","","- Ba Bi4 O15 Ti4 -","- Ba0.91 Bi4.09 O15 Ti4 -","- Ba1.82 Bi8.18 O30 Ti8 -","2","0.0625","","Nalini, G.; Guru Row, T.N.","Structure determination at room temperature and phase transition studies above Tc in A Bi4 Ti4 O15 (A = Ba, Sr or Pb)","Bulletin of Materials Science (Bangalore)","2002","25","","275","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1531929","5.451","","5.4415","","41.0233","","90","","90","","90","","1216.82","","","","","","","","","","","","","4","A 21 a m","A -2 2a","36","","(Sr1.19 Bi3.81) Ti4 O15","","- Bi3.81 O15 Sr1.19 Ti4 -","- Bi3.81 O15 Sr1.19 Ti4 -","- Bi15.24 O60 Sr4.76 Ti16 -","4","0.5","","Nalini, G.; Guru Row, T.N.","Structure determination at room temperature and phase transition studies above Tc in A Bi4 Ti4 O15 (A = Ba, Sr or Pb)","Bulletin of Materials Science (Bangalore)","2002","25","","275","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1531930","5.4267","","5.4458","","41.4121","","90","","90","","90","","1223.84","","","","","","","","","","","","","4","A 21 a m","A -2 2a","36","","(Pb0.96 Bi1.04) Bi3 Ti4 O15","","- Bi4.04 O15 Pb0.96 Ti4 -","- Bi4.04 O15 Pb0.96 Ti4 -","- Bi16.16 O60 Pb3.84 Ti16 -","4","0.5","","Nalini, G.; Guru Row, T.N.","Structure determination at room temperature and phase transition studies above Tc in A Bi4 Ti4 O15 (A = Ba, Sr or Pb)","Bulletin of Materials Science (Bangalore)","2002","25","","275","281","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533304","9.22","","7.458","","5.814","","90","","90","","90","","399.787","","","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","(N H4) (Cl O4)","","- Cl H4 N O4 -","- Cl H4 N O4 -","- Cl4 H16 N4 O16 -","4","1","","Zhang Jianguo; Zhang Tonglai; Yang Li","A study of crystal structure and explosive properties of ammonium perchlorate","Huozhayao Xuebao","2002","25","","33","34","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534053","5.3559","","7.5537","","5.3587","","90","","90","","90","","216.796","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","(La0.25 Ca0.75) (Mn O3)","","- Ca0.75 La0.25 Mn O3 -","- Ca0.75 La0.25 Mn O3 -","- Ca3 La Mn4 O12 -","4","0.5","","Liu Yanmei; Zheng Renkui; Zhao Zongyan; Yang Kuntang; Han Jiahua","Study of crystal structure of La0.25 Ca0.75 Mn O3","Diwen Wuli Xuebao","2003","25","","215","221","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534402","3.9658","","3.9658","","4.9771","","90","","90","","90","","78.278","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Pb.937 Ti.063 O1.063","","- O1.063 Pb0.937 Ti0.063 -","- O1.063 Pb0.937 Ti0.063 -","- O2.126 Pb1.874 Ti0.126 -","2","0.125","","Garnier, P.; Gavarri, J.R.; Moreau, J.","Analyse de Rietveld de la structure de Pb(1-x) Ti(x) O(1+x) par diffraction des neutrons","Materials Research Bulletin","1990","25","","979","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1534557","5.466","","12.243","","8.255","","90","","90.54","","90","","552.402","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Sr2 In F7","","- F7 In Sr2 -","- F7 In Sr2 -","- F28 In4 Sr8 -","4","1","","Scheffler, J.; Hoppe, R.","Sr2 In F7 - Sr2 (In F7) oder Sr2 F (In F6)","Journal of Fluorine Chemistry","1984","25","","27","40","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534639","9.67","","5.64","","4.68","","90","","102.67","","90","","249.026","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","Pb Cu (S O4) (O H)2","","- Cu H2 O6 Pb S -","- Cu O6 Pb S -","- Cu2 O12 Pb2 S2 -","2","0.5","","Araki, T.","The crystal structure of linarite, Pb Cu S O4 (O H)2","Memoirs of the College of Science, University of Kyoto, Series B","1958","25","","69","79","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534797","13.612","","11.005","","10.854","","90","","113.05","","90","","1496.12","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(U O2) (Mo O4) (H2 O)2","","- H4 Mo O8 U -","- Mo O8.15 U -","- Mo8 O65.2 U8 -","8","2","","Serezhkin, V.N.; Efremov, V.A.; Trunov, V.K.","The crystal structure of alpha-U O2 Mo O4 (H2 O)2","Kristallografiya","1980","25","","861","865","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534820","11.2372","","11.2372","","11.2372","","90","","90","","90","","1418.97","","","","","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","Li2 Mn Br4","","- Br4 Li2 Mn -","- Br4 Li2 Mn -","- Br32 Li16 Mn8 -","8","0.0416667","","Lutz, H.D.; Cockcroft, J.K.; Kuske, P.; Schneider, M.","Polymorphism of the fast ionic conductor Li2 Mn Br4 - Neutron diffraction and differential scanning calorimetry","Materials Research Bulletin","1990","25","","451","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1534822","5.6731","","5.6731","","5.6731","","90","","90","","90","","182.583","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li2 (Mn Br4)","","- Br4 Li2 Mn -","- Br4 Li2 Mn -","- Br4 Li2 Mn -","1","0.00520833","","Lutz, H.D.; Cockcroft, J.K.; Kuske, P.; Schneider, M.","Polymorphism of the fast ionic conductor Li2 Mn Br4 - Neutron diffraction and differential scanning calorimetry","Materials Research Bulletin","1990","25","","451","456","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535003","7.642","","9.66","","10.771","","89.37","","86.72","","81.89","","785.889","","","","","","","","","","","","","5","P -1","-P 1","2","","(N (C H3)4) B9 Cl2.73 H11.27","","- C4 H23.27 B9 Cl2.73 N -","- C4 H23 B9 Cl2.727 N -","- C8 H46 B18 Cl5.454 N2 -","2","1","","Hamilton, E.J.M.; Liu, J.; Meyers, E.A.","The reactions of arachno-[B9 H14]- and nido-[B9 H12]- with acids: preparation and structures of chlorononaborates","Polyhedron","2006","25","","1901","1908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535006","9.729","","10.682","","14","","90","","96.91","","90","","1444.38","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(N (C H3)4) B9 Cl H13","","- C4 H25 B9 Cl N -","- C4 H25 B9 Cl N -","- C16 H100 B36 Cl4 N4 -","4","1","","Hamilton, E.J.M.; Meyers, E.A.; Liu, J.","The reactions of arachno-[B9 H14]- and nido-[B9 H12]- with acids: preparation and structures of chlorononaborates","Polyhedron","2006","25","","1901","1908","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535174","23.216","","5.806","","23.031","","90","","90","","90","","3104.4","","","","","","","","","","","","","3","B b 2 b","B -2b -2b","37","","(La S)1.14 (Nb S2)","","- La1.14 Nb S3.14 -","- La1.14286 Nb S3.14286 -","- La32 Nb28 S88 -","28","3.5","","Meerschaut, A.; Rabu, P.; Monceau, P.; Rouxel, J.; Smontara, A.","Structural investigation of (La S)1.14 Nb S2 and resistivity measurements","Materials Research Bulletin","1990","25","","855","861","","","","","","","","","","","","","","","","","","","","","","has coordinates","208255","2020-10-21","18:00:00",""
"1535508","5.038","","5.038","","5.038","","33.5","","33.5","","33.5","","34.694","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","","","- Li0.68 Ni1.32 O2 -","- Li0.68 Ni1.32 O2 -","- Li0.68 Ni1.32 O2 -","1","0.0833333","","Morales, J.; Perez-Vicente, C.; Tirado, J.L.","Cation distribution and chemical deintercalation of Li(1-x) Ni(1+x) O2","Materials Research Bulletin","1990","25","","623","630","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535512","5.039","","5.039","","5.039","","33.11","","33.11","","33.11","","33.981","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","","","- Li0.65 Ni1.08 O2 -","- Li0.65 Ni1.08 O2 -","- Li0.65 Ni1.08 O2 -","1","0.0833333","","Morales, J.; Tirado, J.L.; Perez-Vicente, C.","Cation distribution and chemical deintercalation of Li(1-x) Ni(1+x) O2","Materials Research Bulletin","1990","25","","623","630","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535516","5.0515","","5.0515","","5.0515","","33.01","","33.01","","33.01","","34.046","","","","","","","","","","","","","3","R -3 m :R","-P 3* 2","166","","","","- Li0.51 Ni1.16 O2 -","- Li0.51 Ni1.16 O2 -","- Li0.51 Ni1.16 O2 -","1","0.0833333","","Morales, J.; Tirado, J.L.; Perez-Vicente, C.","Cation distribution and chemical deintercalation of Li(1-x) Ni(1+x) O2","Materials Research Bulletin","1990","25","","623","630","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1535806","3.8647","","3.8647","","19.941","","90","","90","","90","","297.837","","","","","","","","","","","","","4","I 4/m m m","-I 4 2","139","","La2 Sr Cu2 O6.03","","- Cu2 La2 O6.03 Sr -","- Cu2 La2 O6.0057 Sr -","- Cu4 La4 O12.0114 Sr2 -","2","0.0625","","Caignaert, V.; Nguyen, N.; Raveau, B.","La2 Sr Cu2 O6: Neutron diffraction study","Materials Research Bulletin","1990","25","","199","204","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1535994","21.05","","21.05","","9.258","","90","","90","","120","","3552.65","","","","","","","","","","","","","3","R -3 :H","-R 3","148","","","","- Ba Cu5.65 S4.5 -","- Ba Cu5.6517 S4.5 -","- Ba18 Cu101.731 S81 -","18","1","","Chang, J.S.; Wang, Y.; Hong, H.Y.-P.; Lee, G.H.","Crystal structure and electric conductiviy of Ba Cu5.65 S4.5","Materials Research Bulletin","1990","25","","863","869","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1537011","5.599","","5.599","","23.657","","90","","90","","90","","741.619","","","","","","","","","","","","","2","P -4 m 2","P -4 -2","115","","Al Al1.67 O4","","- Al2.67 O4 -","- Al2.666 O4 -","- Al31.992 O48 -","12","1.5","","Repelin, Y.; Husson, E.","Etudes structurales d'alumines de transition. I - Alumines gamma et delta","Materials Research Bulletin","1990","25","","611","621","","","","","","","","","","","","","","","","","","","","","","has coordinates","164960","2020-10-21","18:00:00",""
"1537042","5.664","","10.223","","3.404","","90","","91.52","","90","","197.033","","","","","","","","","","","","","3","I 1 m 1","I -2y","8","","Cd2 O (O H)2 (H2 O)","","- Cd2 H4 O4 -","- Cd2 H4 O4 -","- Cd4 H8 O8 -","2","0.5","","Riou, A.; Gerault, Y.; Cudennec, Y.","Etude structurale de gamma-Cd (O H)2 ou Cd2 O (O H)2 (H2 O)","Materials Research Bulletin","1990","25","","987","996","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537225","3.3053","","3.3053","","17.43239","","90","","90","","120","","164.934","","","","","","","","","","","","","3","P 63/m m c","-P 6c 2c","194","","Sn Ta S2","","- S2 Sn Ta -","- S2 Sn Ta -","- S4 Sn2 Ta2 -","2","0.0833333","","van der Lee, A.; Wiegers, G.A.","Single crystal x-ray study of Sn Ta S2 at 295 and 425 K","Materials Research Bulletin","1990","25","","1011","1018","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537269","3.9679","","3.9679","","4.9894","","90","","90","","90","","78.554","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Pb0.952 Ti0.048 O1.048","","- O1.048 Pb0.952 Ti0.048 -","- O1.048 Pb0.952 Ti0.048 -","- O2.096 Pb1.904 Ti0.096 -","2","0.125","","Garnier, P.; Moreau, J.; Gavarri, J.R.","Analyse de Rietveld de la structure de Pb(1-x) Ti(x) O(1+x) par diffraction des neutrons","Materials Research Bulletin","1990","25","","979","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537271","14.525","","14.525","","5.943","","90","","90","","90","","1253.83","","","","","","","","","","","","","3","I 41/a :1","I 4bw -1bw","88","","Cs.132 Ti O2","","- Cs0.132 O2 Ti -","- Cs0.1319 O2 Ti -","- Cs4.2208 O64 Ti32 -","32","2","","Latroche, M.; Brohan, L.; Marchand, R.; Tournoux, M.","Csx Ti O2 bronzes with hollandite structure: cationic ordering and physical properties","Materials Research Bulletin","1990","25","","139","148","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537272","3.967","","3.967","","4.9838","","90","","90","","90","","78.431","","","","","","","","","","","","","3","P 4/n m m :1","P 4ab 2ab -1ab","129","","Pb.941 Ti.059 O1.059","","- O1.059 Pb0.941 Ti0.059 -","- O1.059 Pb0.941 Ti0.059 -","- O2.118 Pb1.882 Ti0.118 -","2","0.125","","Garnier, P.; Moreau, J.; Gavarri, J.R.","Analyse de Rietveld de la structure de Pb(1-x) Ti(x) O(1+x) par diffraction des neutrons","Materials Research Bulletin","1990","25","","979","986","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537679","3.898","","3.898","","3.898","","90","","90","","90","","59.228","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pd9 Ta)0.4","","- Pt0 Ta4 -","- Pt0 Ta4 -","- Pt0 Ta4 -","1","0.00520833","","Baba, K.; Miyagawa, U.; Flanagan, T.B.; Watanabe, K.; Sakamoto, Y.","Electrical resistivity changes due to interstitial hydrogen in palladium-rich substitutional alloys","Journal of Materials Science","1990","25","","3910","3916","","","","","","","","","","","","","","","","","","","","","","has coordinates","165985","2020-10-21","18:00:00",""
"1537682","3.887","","3.887","","3.887","","90","","90","","90","","58.728","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pd9 Ti)0.4","","- Pd3.6 Ti0.4 -","- Pd3.6 Ti0.4 -","- Pd3.6 Ti0.4 -","1","0.00520833","","Baba, K.; Miyagawa, U.; Watanabe, K.; Sakamoto, Y.; Flanagan, T.B.","Electrical resistivity changes due to interstitial hydrogen in palladium-rich substitutional alloys","Journal of Materials Science","1990","25","","3910","3916","","","","","","","","","","","","","","","","","","","","","","has coordinates","165988","2020-10-21","18:00:00",""
"1537684","3.874","","3.874","","3.874","","90","","90","","90","","58.141","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pd9 V)0.4","","- Pd3.6 V0.4 -","- Pd3.6 V0.4 -","- Pd3.6 V0.4 -","1","0.00520833","","Baba, K.; Miyagawa, U.; Watanabe, K.; Flanagan, T.B.; Sakamoto, Y.","Electrical resistivity changes due to interstitial hydrogen in palladium-rich substitutional alloys","Journal of Materials Science","1990","25","","3910","3916","","","","","","","","","","","","","","","","","","","","","","has coordinates","165991","2020-10-21","18:00:00",""
"1537685","3.927","","3.927","","3.927","","90","","90","","90","","60.56","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Pd9 Zr)0.4","","- Pd3.6 Zr0.4 -","- Pd3.6 Zr0.4 -","- Pd3.6 Zr0.4 -","1","0.00520833","","Baba, K.; Miyagawa, U.; Watanabe, K.; Sakamoto, Y.; Flanagan, T.B.","Electrical resistivity changes due to interstitial hydrogen in palladium-rich substitutional alloys","Journal of Materials Science","1990","25","","3910","3916","","","","","","","","","","","","","","","","","","","","","","has coordinates","165994","2020-10-21","18:00:00",""
"1537688","3.897","","3.897","","3.897","","90","","90","","90","","59.182","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Nb Pd9)0.4","","- Nb0.4 Pd3.6 -","- Nb0.32 Pd3.68 -","- Nb0.32 Pd3.68 -","1","0.00520833","","Baba, K.; Miyagawa, U.; Watanabe, K.; Sakamoto, Y.; Flanagan, T.B.","Electrical resistivity changes due to interstitial hydrogen in palladium-rich substitutional alloys","Journal of Materials Science","1990","25","","3910","3916","","","","","","","","","","","","","","","","","","","","","","has coordinates","165997","2020-10-21","18:00:00",""
"1537770","5.842","","5.842","","3.184","","90","","90","","90","","108.667","","","","","","","","","","","","","2","I 41/a m d :1","I 4bw 2bw -1bw","141","","(In9 Sb11)0.2","","- In1.8 Sb2.2 -","- In1.8 Sb2.2 -","- In1.8 Sb2.2 -","1","0.03125","","Degtyareva, V.F.; Ponyatovskii, E.G.; Chipenko, G.V.; Belash, I.T.; Rashchupkin, V.I.","Indium antimonide**","Soviet Physics - Solid State (New York)","1983","25","","1712","1715","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1537849","5.477","","5.477","","5.477","","90","","90","","90","","164.296","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","U S","","- S U -","- S U -","- S4 U4 -","4","0.0208333","","Bon, Z.; Despotovic, Z.; Tudja, M.","Unusual low temperature oxidation behaviour of US and US-ZrS solid solutions","Journal of Nuclear Materials","1968","25","","106","110","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1537983","8.806","","8.806","","6.564","","90","","90","","90","","509.01","","","","","","","","","","","","","2","P 42/m b c","-P 4c 2ab","135","","Pb3 O4","","- O4 Pb3 -","- O4 Pb3 -","- O16 Pb12 -","4","0.25","","Bystroem, A.M.","Lead oxide","Arkiv foer Kemi, Mineralogi och Geologi","1947","25","","13","13","","","","","","","","","","","","","","","","","","","","","","has coordinates","166377","2020-10-21","18:00:00",""
"1538043","4.164","","4.164","","6.726","","90","","90","","120","","100.997","","","","","","","","","","","","","2","P 63/m m c","-P 6c 2c","194","","","","- Mn Te -","- Mn Te -","- Mn2 Te2 -","2","0.0833333","","Franzen, H.; Sterner, C.","The X-ray photoelectron spectra of Mn S, Mn Se, and Mn Te","Journal of Solid State Chemistry","1978","25","","227","230","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538156","5.838","","5.838","","5.838","","90","","90","","90","","198.972","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Nd P -","- Nd P -","- Nd4 P4 -","4","0.0208333","","Iandelli, A.; Botti, E.","Sulla struttura cristallina di alcuni composti intermetallici delle terre rare","Atti della Accademia Nazionale dei Lincei, Classe di Fisiche, Matematiche e Naturali, Rendiconti","1937","25","","638","644","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538265","7.35","","7.35","","7.35","","90","","90","","90","","397.065","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Hf V2 -","- Hf V2 -","- Hf8 V16 -","8","0.0416667","","Guzei, L.S.; Sokolovskaya, E.M.; Sokolova, I.G.; Ronami, G.N.; Kuznetsova, S.M.","An investigation of some Pd-Ti and some Pd-Ti-H alloys","Moscow university chemistry bulletin","1970","25","","39","41","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538442","8.1575","","8.1575","","6.1378","","90","","90","","120","","353.718","","","","","","","","","","","","","2","P -6 2 m","P -6 -2","189","","Eu As","","- As Eu -","- As Eu -","- As6 Eu6 -","6","0.5","","Ono, S.; Hui, F.L.; Despault, J.G.; Calvert, L.D.; Taylor, J.B.","Rare-Earth Pnictides: The Arsenic-Rich Europium Arsenides","Journal of the Less-Common Metals","1971","25","","287","294","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538531","8.065","","8.065","","8.065","","90","","90","","90","","524.582","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Co3 O4 -","- Co3 O4 -","- Co24 O32 -","8","0.0416667","","Roth, W.L.","The magnetic structure of Co3 O4","Journal of Physics and Chemistry of Solids","1964","25","","1","10","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538759","4.6325","","4.6325","","4.6325","","90","","90","","90","","99.414","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","(Hf2 Pu23)0.16","","- Hf0.32 Pu3.68 -","- Hf0.32 Pu3.68 -","- Hf0.32 Pu3.68 -","1","0.00520833","","Marples, J.A.C.","The lattice parameters of some delta- and epsilon-plutonium alloys","Journal of Physics and Chemistry of Solids","1964","25","","521","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","167443","2020-10-21","18:00:00",""
"1538762","4.642","","4.642","","4.642","","90","","90","","90","","100.027","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","","","- Pu Zr -","- Pu Zr -","- Pu2 Zr2 -","2","0.0104167","","Marples, J.A.C.","The lattice parameters of some delta- and epsilon-plutonium alloys","Journal of Physics and Chemistry of Solids","1964","25","","521","534","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1538959","10.664","","10.664","","18.989","","90","","90","","90","","2159.45","","","","","","","","","","","","","3","I 41/a c d :1","I 4bw 2aw -1bw","142","","Yb (P S4)","","- P S4 Yb -","- P S4 Yb -","- P16 S64 Yb16 -","16","0.5","","Palkina, K.K.; Chibiskova, N.T.; Maksimova, S.I.; Kuvshinova, T.B.; Tripol'skaya, T.A.","The crystal structure of Yb P S4","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1989","25","","1315","1316","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538962","6.072","","6.072","","6.072","","90","","90","","90","","223.87","","","","","","","","","","","","","2","F -4 3 m","F -4 2 3","216","","","","- Hg Se -","- Hg Se -","- Hg4 Se4 -","4","0.0416667","","Paranchich, S.Yu.; Paranchich, L.D.; Makogonenko, V.N.; Lototskii, V.B.","Structural, electric, and thermal properties of Fex Hg1-x Se","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1989","25","","198","201","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539200","6.3","","6.3","","6.3","","90","","90","","90","","250.047","","","","","","","","","","","","","3","F -4 3 m","F -4 2 3","216","","","","- Hg In Te2 -","- Hg In Te2 -","- Hg2 In2 Te4 -","2","0.0208333","","Vengel', P.G.; Tomashik, V.N.","The system Hg Te - In Te","Inorganic Materials (USSR) (see: Izv.Akad.Nauk, Neorg.Mater.)","1989","25","","336","340","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539293","10.2","","11.77","","6.99","","90","","90","","90","","839.177","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Co (N H3)3 (N O2)3","","- Co H9 N6 O6 -","- Co H9 N6 O6 -","- Co4 H36 N24 O24 -","4","1","","Tanito, Yoshimichi; Saito, Yoshihiko; Kuroya, Hisao","The Crystal Structure of Trinitrotriammine-cobalt (III), [Co(NH~3~)~3~(NO~2~)~3~]","Bulletin of the Chemical Society of Japan","1952","25","3","188","191","10.1246/bcsj.25.188","","","","","","","","","","","","","","","","","","","","","has coordinates","186592","2020-10-21","18:00:00",""
"1539463","3.514","","3.514","","3.514","","90","","90","","90","","43.392","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Tm Zn -","- Tm Zn -","- Tm Zn -","1","0.0208333","","Adamyan, V.E.; Aleksandryan, V.V.; Artsruni, A.A.; Ovsepyan, S.O.; Melikyan, M.A.","Temperature dependence of magnetic susceptibility, magnetization, and resistivity of Gdx Tm1-x Zn solid solutions","Sov. J. Contemp. Phys.","1990","25","","24","27","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539745","5.85","","2.99","","3.117","","90","","90","","90","","54.521","","","","","","","","","","","","","2","P m m 2","P 2 -2","25","","","","- In Sb -","- In Sb -","- In Sb -","1","0.25","","Degtyareva, V.F.; Belash, I.T.; Chipenko, G.V.; Rashchupkin, V.I.; Ponyatovskii, E.G.","Indium antimonide**","Soviet Physics - Solid State (New York)","1983","25","","1712","1715","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1539820","7.455","","5.3857","","5.3885","","90","","101.83","","90","","211.755","","","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","Ce Co C2","","- C2 Ce Co -","- C2 Ce Co -","- C8 Ce4 Co4 -","4","1","","Bodak, O.I.; Marusin, E.P.; Bruskov, V.A.","The crystal structure of compounds R Co C2 (R= Ce, La or Pr)","Soviet Physics, Crystallography (= Kristallografiya)","1980","25","","355","356","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539854","3.763","","3.763","","3.862","","90","","90","","120","","47.36","","","","","","","","","","","","","2","P -6 m 2","P -6 2","187","","Zr Te","","- Te Zr -","- Te Zr -","- Te Zr -","1","0.0833333","","Brattas, L.; Kjekshus, A.","The metal rich region of the Zr-Te system","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","2350","2371","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1539927","6.345","","6.345","","14.82","","90","","90","","120","","516.704","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Cs3 Fe2 F9","","- Cs3 F9 Fe2 -","- Cs3 F9 Fe2 -","- Cs6 F18 Fe4 -","2","0.166667","","Wall, F.; Pausewang, G.; Babel, D.","Die Kristallstruktur von Cs2 Fe2 F9 : Ein Zweikerniger Fluorokomplex","Journal of the Less-Common Metals","1971","25","","257","270","","","","","","","","","","","","","","","","","","","","","","has coordinates","169017","2020-10-21","18:00:00",""
"1540213","12.2942","","12.2942","","12.2942","","90","","90","","90","","1858.24","","","","","","","","","","","","","5","P m -3 m","-P 4 2 3","221","","Ca Na11.52 (Al11.09 Si11.47 O48)","","- Al11.09 Ca Na11.52 O48 Si11.47 -","- Al11.0928 Ca Na11.52 O48 Si11.4672 -","- Al11.0928 Ca Na11.52 O48 Si11.4672 -","1","0.0208333","","Kato, M.; Ohgushi, T.; Moriya, H.","Dependence of cation sites of zeolite A upon the thermal treatment method","X-sen Bunseki no Shinpo","1993","25","","111","120","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540223","5.822","","5.822","","5.822","","90","","90","","90","","197.341","","","","","","","","","","","","","2","F m -3 m","-F 4 2 3","225","","Np As","","- As Np -","- As Np -","- As4 Np4 -","4","0.0208333","","Langridge, S.; Stirling, W.G.; Rebizant, J.; Vogt, O.; Lander, G.H.; Gibbs, D.; Spirlet, J.C.","X-Ray Study of the Critical Magnetic Scattering in Np As","Europhysics Letters","1994","25","","137","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1540264","6.9207","","6.7945","","6.9613","","90","","117.735","","90","","289.731","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Bi2 Rh -","- Bi2 Rh -","- Bi8 Rh4 -","4","1","","Kjekshus, A.","On the properties of binary compounds with the Co Sb2 type crystal structure","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","411","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540266","6.6156","","6.5596","","6.6858","","90","","116.821","","90","","258.922","","","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- Rh Sb2 -","- Rh Sb2 -","- Rh4 Sb8 -","4","1","","Kjekshus, A.","On the properties of binary compounds with the Co Sb2 type crystal structure","Acta Chemica Scandinavica (1-27,1973-42,1988)","1971","25","","411","422","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1540322","3.855","","3.857","","11.653","","90","","90","","90","","173.265","","","","","","","","","","","","","4","P m m m","-P 2 2","47","","Y Ba2 Cu2.84 O6.58","","- Ba2 Cu2.84 O6.58 Y -","- Ba2 Cu2.836 O6.578 Y -","- Ba2 Cu2.836 O6.578 Y -","1","0.125","","Lu, Y.; Ding, S.","A study of superconducting phase on Y-Ba-Cu-O system","Nanjing Daxue Xuebaro, Ziran Kexue","1989","25","","238","246","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541312","4.152","","4.152","","4.152","","90","","90","","90","","71.577","","","","","","","","","","","","","3","F m -3 m","-F 4 2 3","225","","Li1.05 Fe.95 O2","","- Fe0.95 Li1.05 O2 -","- Fe0.95 Li1.05 O2 -","- Fe1.9 Li2.1 O4 -","2","0.0104167","","Anderson, J.C.; Schieber, M.","Order-Disorder Transition in Heat-Treated Rock-Salt Lithium Ferrite","Journal of Physics and Chemistry of Solids","1964","25","","961","968","","","","","","","","","","","","","","","","","","","","","","has coordinates","172608","2020-10-21","18:00:00",""
"1541335","7.331","","7.331","","7.331","","90","","90","","90","","393.994","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","(Zr7 Ti3 Zn20)0.8","","- Ti2.4 Zn16 Zr5.6 -","- Ti2.4 Zn16 Zr5.6 -","- Ti2.4 Zn16 Zr5.6 -","1","0.00520833","","Ogawa, S.","Magnetic properties of Zr1-x Tix Zn2, Zr1-x Yx Zn2, Zr1-x Nbx Zn2 and Zr1-x Hfx Zn2","Journal of the Physical Society of Japan","1968","25","","109","119","","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1541586","8.578","","10.446","","11.276","","68.92","","87.34","","67.01","","862.676","","","","","","","","","","","","","6","P -1","-P 1","2","","Na2 (N H4)4 ((V V8 Mo) O28) (H2 O)10","","- H36 Mo N4 Na2 O38 V9 -","- H36 Mo1.02 N4 Na2 O38 V8.98 -","- H36 Mo1.02 N4 Na2 O38 V8.98 -","1","0.5","","Hu, C.; Duan, C.; Reng, X.; Lu, C.; Liu, Y.; Meng, Q.; Chen, Y.; Cao, M.","Synthesis, structure and the e.s.r. spectrum of the mixed-valence molybdovanadate Na2 (N H4)4 ((V(IV) V(V)8 Mo) O28) (H2 O)10","Transition Metal Chemistry","2000","25","","141","144","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1541705","24.211","","7.153","","7.322","","90","","90","","90","","1268.03","","","","","","","","","","","","","3","P b a 2","P 2 -2ab","32","","K3 Sb5 O14","","- K3 O14 Sb5 -","- K3 O14 Sb5 -","- K12 O56 Sb20 -","4","1","","Aurivillius, B.","On the crystal structure of K3 Sb5 O14","Arkiv foer Kemi","1966","25","","505","514","","","","","","","","","","","","","","","","","","","","","","has coordinates","173143","2020-10-21","18:00:00",""
"1541847","3.474","","3.474","","13.75","","90","","90","","120","","143.712","","","","","","","","","","","","","3","R -3 m :H","-R 3 2""","166","","Na D F2","","- D F2 Na -","- D F2 Na -","- D3 F6 Na3 -","3","0.0833333","","Ibers, J.A.","The Nature of the Hydrogen Bond in the Bifluoride Ion","Journal de Physique (Paris)","1964","25","","474","477","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1551774","7.182","0.001","11.1","0.001","20.644","0.002","90","","90","","90","","1645.7","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2-[2-(4-Acetoxy-3-methoxyphenyl)-ethyl]-benzothiazole","","- C18 H15 N O3 S -","- C18 H16 N O3 S -","- C72 H64 N4 O12 S4 -","4","1","","CONCEPCIÓN LOZADA, M.; ENRÍQUEZ, Raúl G.; ORTÍZ, Benjamin; GNECCO, Dino; SORIANO-GARCÍA, Manuel","Crystal Structure of an Unexpected Derivative of Curcumin: 2-[2-(4-Acetoxy-3-methoxyphenyl)ethyl]benzothiazole","X-ray Structure Analysis Online","2009","25","","97","","10.2116/xraystruct.25.97","","","0.71073","MoKα","","0.2662","0.0552","","","0.0553","0.0672","","","","","","0.94","","","","has coordinates,has disorder","216386","2020-10-21","18:00:00",""
"1551775","7.9062","0.0009","10.4189","0.0012","10.5347","0.0012","62.983","0.002","70.57","0.002","76.828","0.003","726.01","0.14","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H16 F N5 O3 -","- C14 H16 F N5 O3 -","- C28 H32 F2 N10 O6 -","2","1","","XU, Zhi-hong; LI, Xue-feng; WANG, Hong-sheng","Synthesis and Crystal Structure of 1-Cyclopropyl-6-fluoro-7-hydrozino-8-methoxyl-1,4-dihydro-4-oxo-3-quinoline carbohydrazide","X-ray Structure Analysis Online","2009","25","","19","","10.2116/xraystruct.25.19","","","0.71073","MoKα","","0.0905","0.0494","","","0.1283","0.1594","","","","","","1.036","","","","has coordinates","216387","2020-10-21","18:00:00",""
"1551776","8.768","0.005","9.974","0.006","11.576","0.006","100.586","0.007","93.277","0.007","111.067","0.006","920.2","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H22 O6 -","- C21 H22 O6 -","- C42 H44 O12 -","2","1","","WANG, Tian-tian; LV, Zhi-liang; FENG, Ji-lu; SUN, Hai-ling; LIU, Jia; LI, Ke","Crystal Structure of (Z)-(±)-2-(3,5-dimethoxyphenyl)-4-(4-methoxybenzylidene)tetrahydrofuran-3-carboxylic Acid","X-ray Structure Analysis Online","2009","25","","77","","10.2116/xraystruct.25.77","","","0.71073","MoKα","","0.0699","0.06","","","0.1687","0.1769","","","","","","1.046","","","","has coordinates","216388","2020-10-21","18:00:00",""
"1551777","8.013","0.006","32.731","0.007","8.485","0.002","90","","113.5","0.04","90","","2040.8","1.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N3 O4 -","- C23 H21 N3 O4 -","- C92 H84 N12 O16 -","4","1","","LATXAGUE, Laurent; CHANSEAU, Christel; DURRIEU, Marie-Christine; MASSIP, Stéphane; LEGER, Jean-Michel","Synthesis and Crystal Structure of 2,2′-[(Allylimino)diethane-2,1-diyl]bisphthalimide","X-ray Structure Analysis Online","2009","25","","55","","10.2116/xraystruct.25.55","","","1.5418","CuKα","","0.1257","0.0654","","","0.1665","0.2251","","","","","","1.043","","","","has coordinates","216389","2020-10-21","18:00:00",""
"1551778","7.8481","0.0006","10.1203","0.0008","21.5728","0.0017","90","","90","","90","","1713.4","0.2","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C84 H76 N4 O20 -","4","1","","KAMIGAUCHI, Miyoko; MAEKAWA, Yukiko; IN, Yasuko; ISHIDA, Toshimasa","X-ray Structure Analysis of (d)-11-Oxo-corynoline, a Hexahydrobenzo[c]phenanthridine-type Alkaloid","X-ray Structure Analysis Online","2009","25","","87","","10.2116/xraystruct.25.87","","","0.71073","MoKα","","0.0496","0.0485","","","0.1214","0.1224","","","","","","1.184","","","","has coordinates","216390","2020-10-21","18:00:00",""
"1551779","14.439","0.003","8.3664","0.0018","39.656","0.008","90","","90","","90","","4790.5","1.7","293.1","","","","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C9 H10 Cl3 N3 O -","- C9 H10 Cl3 N3 O -","- C144 H160 Cl48 N48 O16 -","16","2","","KAWAMURA, Tomoko; HIRAYAMA, Noriaki","Addendum: Crystal Structure of Guanfacine Hydrochloride [X-ray Structure Analysis Online, Vol. 25, p. 3 (2009)]","X-ray Structure Analysis Online","2009","25","","47","","10.2116/xraystruct.25.47","","","1.54187","CuKα","","","0.064","","","","0.123","","","","","","1.149","","","","has coordinates","216391","2020-10-21","18:00:00",""
"1551780","6.9285","0.0006","10.8287","0.0009","12.9941","0.0011","100","0.004","104.942","0.003","94.865","0.004","918.99","0.14","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H32 N10 O16 -","- C32 H32 N10 O16 -","- C32 H32 N10 O16 -","1","0.5","","YAN, Zhen-Zhong; HOU, Na; LIANG, Hua-Ding; ZHAO, Song-Lin; TANG, Yu","Synthesis and Crystal Structure of 1,1′-Butane-1,4-diyl-dibenzimidazolium Picrate","X-ray Structure Analysis Online","2009","25","","31","","10.2116/xraystruct.25.31","","","0.71073","MoKα","","0.0861","0.064","","","0.1709","0.1932","","","","","","1.061","","","","has coordinates,has disorder","216392","2020-10-21","18:00:00",""
"1551781","7.1485","0.0008","13.919","0.002","15.156","0.002","100.28","0.007","101.783","0.007","96.176","0.007","1436.2","0.3","293.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 Cl2 N O3 -","- C12 H17 Cl2 N O3 -","- C48 H68 Cl8 N4 O12 -","4","2","","KAWAMURA, Tomoko; HIRAYAMA, Noriaki","Crystal Structure of Meclofenoxate Hydrochloride","X-ray Structure Analysis Online","2009","25","","23","","10.2116/xraystruct.25.23","","","1.5419","CuKα","","","0.05","","","","0.129","","","","","","0.902","","","","has coordinates","216393","2020-10-21","18:00:00",""
"1551782","25.057","0.003","42.713","0.005","5.792","0.001","90","","90","","90","","6198.9","1.5","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","4-(4-fluorophenyl)-2-hydroxy-2-methyl-3,4-dihydropyrano[3,2-c] chromen-5(2H)-one","","- C19 H15 F O4 -","- C19 H15 F O4 -","- C304 H240 F16 O64 -","16","1","","PENKOVA, Anita; RETAILLEAU, Pascal; MANOLOV, Ilia","Crystal Structure of (4-(4-Fluorophenyl)-2-hydroxy-2-methyl-3,4-dihydropyrano[3,2-c]chromen-5(2H)-one","X-ray Structure Analysis Online","2009","25","","89","","10.2116/xraystruct.25.89","","","0.71069","MoKα","","0.0444","0.0326","","","0.0752","0.0826","","","","","","1.072","","","","has coordinates","216394","2020-10-21","18:00:00",""
"1551783","13.542","0.003","12.7","0.003","22.049","0.004","90","","103.72","0.03","90","","3683.9","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H46 Cl6 Cu4 O13 -","- C19 H46 Cl6 Cu4 O13 -","- C76 H184 Cl24 Cu16 O52 -","4","1","","CUI, Zining; MA, Yongqiang; LING, Yun; YANG, Xinling","Crystal Structure of Hexa-μ2-chloro-μ4-oxo-tetrakis[(1,4-dioxane-κO4)copper(II)]","X-ray Structure Analysis Online","2009","25","","79","","10.2116/xraystruct.25.79","","","0.71073","MoKα","","0.1328","0.0566","","","0.0902","0.1008","","","","","","0.99","","","","has coordinates","216395","2020-10-21","18:00:00",""
"1551784","9.0471","0.0003","9.8171","0.0004","11.3071","0.0004","113.24","0.001","93.227","0.001","111.903","0.001","831.42","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H20 N4 -","- C19 H20 N4 -","- C38 H40 N8 -","2","1","","GOLCHOUBIAN, Hamid; EBRAHIMZADEH, Zeinab","Crystal and Molecular Structure of N,N-Propylene-bis(2-phenyl)glycinonitrile","X-ray Structure Analysis Online","2009","25","","57","","10.2116/xraystruct.25.57","","","0.71073","MoKα","","0.0479","0.0419","","","0.1089","0.114","","","","","","1.002","","","","has coordinates","216396","2020-10-21","18:00:00",""
"1551785","9.185","0.002","10.753","0.002","9.742","0.002","90","","92.98","0.014","90","","960.9","0.3","173.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H32 N2 -","- C24 H32 N2 -","- C48 H64 N4 -","2","0.5","","KUBO, Kanji; TAKAHASHI, Hajime; TAKECHI, Haruko; MORI, Akira","Crystal Structure of N,N,N′,N′-Tetraethyl-9,10-anthracenedimethanamine","X-ray Structure Analysis Online","2009","25","","99","","10.2116/xraystruct.25.99","","","1.54187","CuKα","","","0.0639","","","","0.1924","","","","","","1.071","","","","has coordinates","216397","2020-10-21","18:00:00",""
"1551786","5.69263","0.0001","25.1851","0.0005","13.8608","0.0003","90","","104.204","0.0007","90","","1926.47","0.07","293.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H28 N2 O -","- C22 H28 N2 O -","- C88 H112 N8 O4 -","4","1","","OGAWA, Noriko; NAGASE, Hiromasa; ENDO, Tomohiro; LOFTSSON, Thorsteinn; UEDA, Haruhisa","Crystal Structure of Fentanyl Base","X-ray Structure Analysis Online","2009","25","","83","","10.2116/xraystruct.25.83","","","1.54187","CuKα","","","0.0626","","","","0.1994","","","","","","1.001","","","","has coordinates","216398","2020-10-21","18:00:00",""
"1551787","9.5783","0.0012","12.323","0.002","10.279","0.002","90","","117.034","0.014","90","","1080.7","0.3","566","2","566","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","Di(m-N,S-thiocyanato)-bis[(N,N-dimethylbenzylamine-C^2^,N)palladium(II)]","","- C20 H24 N4 Pd2 S2 -","- C20 H24 N4 Pd2 S2 -","- C40 H48 N8 Pd4 S4 -","2","0.5","","MAURO, Antonio E.; NETTO, Adelino V. G.; MORO, Antonio C.; FERREIRA, Janaina G.; SANTOS, Regina H. A.; de ALMEIDA, Eduardo T.","Molecular and Crystal Structure of Di(μ-N,S-thiocyanato)-bis[(N,N-dimethylbenzylamine-C2,N)palladium(II)]","X-ray Structure Analysis Online","2009","25","","65","","10.2116/xraystruct.25.65","","x-ray","0.71073","MoKα","","0.1292","0.0477","","","0.0941","0.1167","","","","","","0.944","","","","has coordinates","216399","2020-10-21","18:00:00",""
"1551788","5.4651","0.0012","9.033","0.002","11.894","0.003","99.814","0.003","93.225","0.003","94.621","0.004","575.2","0.2","298","2","298","2","","","","","","","","7","P -1","-P 1","2","<i>N</i>-(3-chloropropionyl)-<i>N</i>'-(4-fluorophenyl)thiourea","3-Chloro-<i>N</i>-(4-fluorophenylcarbamothioyl)propanamide","","- C10 H10 Cl F N2 O S -","- C10 H10 Cl F N2 O S -","- C20 H20 Cl2 F2 N4 O2 S2 -","2","1","","ISMAIL, Nur Liyana; YAMIN, Bohari M.","Crystal Structure of N-(3-Chloropropionyl)-N′-(4-fluorophenyl)thiourea","X-ray Structure Analysis Online","2009","25","","39","","10.2116/xraystruct.25.39","","","0.71073","MoKα","","0.0373","0.0332","","","0.0918","0.0944","","","","","","1.071","","","","has coordinates","216400","2020-10-21","18:00:00",""
"1551789","7.1172","0.0016","15.099","0.002","7.5965","0.0018","90","","97.261","0.002","90","","809.8","0.3","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 N4 O3 S -","- C14 H18 N4 O3 S -","- C28 H36 N8 O6 S2 -","2","1","","TAI, Xishi; FENG, Yimin; LIANG, Zupei","Crystal Structure of N′-(2-Acetyl-3-methylpyrazine)-4-toluene-sulfonylhydrazide","X-ray Structure Analysis Online","2009","25","","17","","10.2116/xraystruct.25.17","","","0.71073","MoKα","","0.032","0.0302","","","0.0762","0.0784","","","","","","1.068","","","","has coordinates","216401","2020-10-21","18:00:00",""
"1551790","31.825","0.003","10.7775","0.0011","28.265","0.003","90","","101.658","0.003","90","","9494.7","1.7","294","2","294","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H56 Cu2 N8 O8 -","- C44 H56 Cu2 N8 O8 -","- C352 H448 Cu16 N64 O64 -","8","1","","WANG, Yuan; WU, Wei-Na; YANG, Zheng-Yin","Crystal Structure of a Copper(II) Complex with 1,2-Bis[3,4-dimethyl-5-ethyloxy-carbonyl-pyrrol-2-yl-methyleneamino]ethane","X-ray Structure Analysis Online","2009","25","","33","","10.2116/xraystruct.25.33","","","0.71073","MoKα","","0.1321","0.0543","","","0.1077","0.1395","","","","","","0.941","","","","has coordinates","216402","2020-10-21","18:00:00",""
"1551791","10.927","0.003","7.033","0.003","11.577","0.005","90","","99.1","0.03","90","","878.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H24 F12 N4 Zr2 -","- C6 H24 F12 N4 Zr2 -","- C12 H48 F24 N8 Zr4 -","2","0.5","","ALI, A. Ben; SMIRI, L. S.; LEBLANC, M.; MAISONNEUVE, V.","Synthesis and Crystal Structure of Zirconium Fluoride, (H2dap)2[Zr2F12]","X-ray Structure Analysis Online","2009","25","","37","","10.2116/xraystruct.25.37","","","0.71073","MoKα","","0.0163","0.0153","","","0.0413","0.0419","","","","","","1.232","","","","has coordinates","216403","2020-10-21","18:00:00",""
"1551792","9.1823","0.0005","10.9865","0.0008","11.4414","0.0005","62.374","0.006","77.784","0.008","83.464","0.008","999.31","0.12","294","2","","","","","","","","","","7","P -1","-P 1","2","","","","- C17 H19 Cl3 F N3 O2 S -","- C17 H19 Cl3 F N3 O2 S -","- C34 H38 Cl6 F2 N6 O4 S2 -","2","1","","DENIZ, N. Gulsah; IBIS, Cemil","Crystal Structure of 1-(4-Fluorophenyl)-4-[(1E)-3,4,4-trichloro-2-nitro-1-(propylsulfanyl)buta-1,3-dien-1-yl]piperazine","X-ray Structure Analysis Online","2009","25","","69","","10.2116/xraystruct.25.69","","","0.7107","MoKα","","","0.059","","","","0.079","","","","","","0.955","","","","has coordinates","216404","2020-10-21","18:00:00",""
"1551793","8.1761","0.0004","9.2255","0.0004","11.5258","0.0004","92.014","0.003","90.871","0.003","99.323","0.002","857.17","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","none","'3-(4-chlorobenzoyl)-pyrrolo[1,2-c]quinazoline-1-carboxylate'","","- C21 H15 Cl N2 O3 -","- C21 H15 Cl N2 O3 -","- C42 H30 Cl2 N4 O6 -","2","1","","CAIRA, Mino R.; GEORGESCU, Emilian; GEORGESCU, Florentina; DUMITRASCU, Florea","Addendum: Crystal Structure of Ethyl 3-(4-chlorobenzoyl)pyrrolo[1,2-c]quinazoline-1-carboxylate, a Pyrrolo[1,2-c]quinazoline Derivative [X-ray Structure Analysis Online, Vol. 25, p. 5 (2009)]","X-ray Structure Analysis Online","2009","25","","49","","10.2116/xraystruct.25.49","","","0.71073","MoKα","","0.0517","0.0375","","","0.0917","0.099","","","","","","1.043","","","","has coordinates","216405","2020-10-21","18:00:00",""
"1551794","9.2609","0.0008","22.665","0.002","10.0975","0.0008","90","0.007","100.4","0.007","90","0.007","2084.6","0.3","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H31 N3 O -","- C21 H31 N3 O -","- C84 H124 N12 O4 -","4","1","","ÇELIK, Ömer; TAS, Esref; IDE, Semra; ULUSOY, Mahmut","Crystal and Molecular Structure of N-[1-(3-Aminopropyl)imidazole]-3,5-di-t-butylsalicylaldimine","X-ray Structure Analysis Online","2009","25","","75","","10.2116/xraystruct.25.75","","x-ray","0.71073","MoKα","","","0.0695","","","","0.2389","","","","","","1.018","","","","has coordinates","216406","2020-10-21","18:00:00",""
"1551795","7.7133","0.0007","10.5873","0.0003","10.0548","0.0003","90","","93.282","0.009","90","","819.76","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- Dy H4 K O9 P2 -","- Dy H4 K O9 P2 -","- Dy4 H16 K4 O36 P8 -","4","1","","ALAOUI, A. Tahiri; El BALI, B.; LACHKAR, M.; GLAUM, R.","Synthesis and Crystal Structure of Dysprosium Diphosphate KDyP2O7·2H2O","X-ray Structure Analysis Online","2009","25","","11","","10.2116/xraystruct.25.11","","","0.71073","MoKα","","0.063","0.0403","","","0.1029","0.1197","","","","","","0.838","","","","has coordinates","216407","2020-10-21","18:00:00",""
"1551796","18.829","0.0008","24.515","0.002","9.6301","0.0018","90","","99.245","0.007","90","","4387.4","0.9","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 N2 O2 -","- C28 H22 N2 O2 -","- C224 H176 N16 O16 -","8","2","","ABBASI, Alireza; MOHAMMADI ZIARANI, Ghodsi; BADIEI, Alireza; FARAHANI, Zahra","Crystal Structure of (3-Hydroxy-4-methoxyphenyl)-(1,4,5-triphenyl)-1H-imidazole","X-ray Structure Analysis Online","2009","25","","85","","10.2116/xraystruct.25.85","","","0.71073","MoKα","","0.1305","0.0618","","","0.1064","0.1224","","","","","","0.958","","","","has coordinates","216408","2020-10-21","18:00:00",""
"1551797","10.105","0.002","20.061","0.003","11.213","0.003","90","","107.83","0.02","90","","2163.9","0.8","125","","125","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H23 N7 O6 -","- C20 H23 N7 O6 -","- C80 H92 N28 O24 -","4","1","","BANERT, Klaus; SCHUMANN, Patrick; RÜFFER, Tobias; LANG, Heinrich","Synthesis and Crystal Structure of 10,20-Dimethyl-15-oxa-1,3,6,8,9,21-hexaazapentacyclo[15.3.1.16,9.13,21.08,13]tricosa-11,18-diene-2,7,14,22,23-pentaone","X-ray Structure Analysis Online","2009","25","","9","","10.2116/xraystruct.25.9","","","1.54184","CuKα","","0.0327","0.031","","","0.078","0.0791","","","","","","1.067","","","","has coordinates","216409","2020-10-21","18:00:00",""
"1551798","32.997","0.002","5.8823","0.0008","9.8717","0.0009","90","","103.483","0.006","90","","1863.3","0.3","297","","297","","","","","","","","see text","4","C 1 2 1","C 2y","5","L-(S)-Tryptophane-D-(R)-Mandelate 1.5H2O","","","- C19 H23 N2 O6.5 -","- C19 H23 N2 O6.5 -","- C76 H92 N8 O26 -","4","1","","FUJII, Isao","Crystal Structure of L-(S)-Tryptophane D-(R)-mandelate 1.5H2O","X-ray Structure Analysis Online","2009","25","","35","","10.2116/xraystruct.25.35","","x-ray","1.54184","CuKα","","0.0368","0.0346","","","0.0948","0.0971","","","","","","1.043","","","","has coordinates","216410","2020-10-21","18:00:00",""
"1551799","9.808","0.009","14.308","0.013","10.951","0.01","90","","103.075","0.015","90","","1497","2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H39 Cl3 Cu2 N6 O15 -","- C16 H39 Cl3 Cu2 N6 O15 -","- C32 H78 Cl6 Cu4 N12 O30 -","2","1","","KIM, Youngmee; KIM, Junghee","Crystal Structure of Dinuclear Cu(II) Complex of 1,4-Di(1,4,7-triazonan-1-yl)butan-2-ol","X-ray Structure Analysis Online","2009","25","","7","","10.2116/xraystruct.25.7","","","0.71073","MoKα","","0.1004","0.082","","","0.2046","0.2219","","","","","","0.975","","","","has coordinates","216411","2020-10-21","18:00:00",""
"1551800","6.2054","0.0009","10.4169","0.0013","23.696","0.002","90","","90","","90","","1531.7","0.3","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 Br N2 O3 S -","- C14 H13 Br N2 O3 S -","- C56 H52 Br4 N8 O12 S4 -","4","1","","TAI, Xishi; FENG, Yimin","Crystal Structure of N′-(5-Bromosalicylaldehyde)-4-toluene-sulfonylhydrazide","X-ray Structure Analysis Online","2009","25","","41","","10.2116/xraystruct.25.41","","","0.71073","MoKα","","0.1317","0.0797","","","0.177","0.202","","","","","","1.015","","","","has coordinates","216413","2020-10-21","18:00:00",""
"1551801","7.031","0.001","12.143","0.002","24.15","0.003","90","","90","","90","","2061.9","0.5","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","17α-acetoxy-6,7-epoxypregn-4-ene-3,20-dione","","- C23 H30 O5 -","- C23 H30 O5 -","- C92 H120 O20 -","4","1","","SORIANO-GARCIA, Manuel; ZAMBRANO, Armando; CABEZA, Marisa; BRATOEFF, Eugene","Crystal Structure and Synthesis of 17α-Acetoxy-6,7-epoxypregn-4-ene-3,20-dione","X-ray Structure Analysis Online","2009","25","","61","","10.2116/xraystruct.25.61","","","0.71073","MoKα","","0.056","0.04","","","0.0821","0.0864","","","","","","0.907","","","","has coordinates","216414","2020-10-21","18:00:00",""
"1551802","19.3525","0.0004","35.446","0.0004","27.9608","0.0007","90","","110.124","0.001","90","","18009.3","0.6","93.1","","","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C157 H252 Al6 O41 S11 -","- C157 H247 Al6 O41 S11 -","- C628 H988 Al24 O164 S44 -","4","1","","KAMEI, Yuya; MIZUGUCHI, Jin","Crystal Structure of a Hexa-Nuclear Al-Complex with Ligands of 3,5-Di-t-butylsalicylate Ions","X-ray Structure Analysis Online","2009","25","","81","","10.2116/xraystruct.25.81","","","1.54187","CuKα","","","0.1589","","","","0.437","","","","","","1.498","","","","has coordinates,has disorder","216415","2020-10-21","18:00:00",""
"1551803","4.052","0.0009","6.55","0.001","9.17","0.002","100.148","0.004","100.814","0.004","96.831","0.004","232.39","0.08","123.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C3 H4 N2 O S -","- C3 H4 N2 O S -","- C6 H8 N4 O2 S2 -","2","1","","OGAWA, Toshiakzu; OKUMURA, Hisako; HONDA, Mitsunori; SUDA, Mitsuhiro; FUJINAMI, Shuhei; KUWAE, Akio; HANAI, Kazuhiko; KUNIMOTO, Ko-Ki","A New Polymorph of 2-Thiohydantoin","X-ray Structure Analysis Online","2009","25","","91","","10.2116/xraystruct.25.91","","","0.7107","MoKα","","","0.069","","","","0.1951","","","","","","1.544","","","","has coordinates","216416","2020-10-21","18:00:00",""
"1551804","8.889","0.002","14.379","0.003","19.92","0.005","90","","96.629","0.004","90","","2529.1","1","240","2","240","2","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","Fluoresecein hudrazide","","- C28 H22 N2 O8 -","- C28 H22 N2 O8 -","- C112 H88 N8 O32 -","4","1","","NAKAHARA, Ryosuke; DOI, Mitsunobu; KITANI, Yuuki; YAMAGUCHI, Takako; FUJITA, Yoshikazu","Crystal Structure of Tetraacetyl Fluorescein Hydrazide","X-ray Structure Analysis Online","2009","25","","21","","10.2116/xraystruct.25.21","","","0.71073","MoKα","","0.1335","0.0985","","","0.2455","0.2723","","","","","","0.999","","","","has coordinates","216417","2020-10-21","18:00:00",""
"1551805","20.945","0.005","14.358","0.005","12.976","0.004","90","","113.356","0.007","90","","3582.5","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H30 Cu3 N6 O12 -","- C39 H30 Cu3 N6 O12 -","- C156 H120 Cu12 N24 O48 -","4","0.5","","SIDDIQI, Zafar Ahmad; KHALID, Mohd; KUMAR, Sarvendra; SHAHID, Mohd","Synthesis of [Cu(dipic)(4-picoline)]n Possessing 1D Coordination Polymeric Structure and Single Crystal X-ray Studies","X-ray Structure Analysis Online","2009","25","","71","","10.2116/xraystruct.25.71","","","0.71073","MoKα","","0.2226","0.0939","","","0.2464","0.3345","","","","","","1.057","","","","has coordinates","216418","2020-10-21","18:00:00",""
"1551806","4.3803","0.0015","10.909","0.004","11.601","0.004","90","","99.11","0.03","90","","547.4","0.3","293.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H13 N5 O4 -","- C9 H13 N5 O4 -","- C18 H26 N10 O8 -","2","1","","KAWAMURA, Tomoko; HIRAYAMA, Noriaki","Crystal Structure of Ganciclovir","X-ray Structure Analysis Online","2009","25","","51","","10.2116/xraystruct.25.51","","","1.54187","CuKα","","","0.0583","","","","0.0561","","","","","","0.826","","","","has coordinates","216419","2020-10-21","18:00:00",""
"1551807","8.4879","0.0006","13.9842","0.001","7.316","0.0005","90","","96.366","0.001","90","","863.03","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N4 -","- C20 H22 N4 -","- C40 H44 N8 -","2","0.5","","GOLCHOUBIAN, Hamid; EBRAHIMZADEH, Zeinab","Crystal Structure of N,N-Buthylene-bis(2-phenyl)glycinonitrile","X-ray Structure Analysis Online","2009","25","","59","","10.2116/xraystruct.25.59","","","0.71073","MoKα","","0.0699","0.0577","","","0.1568","0.1699","","","","","","1","","","","has coordinates","216420","2020-10-21","18:00:00",""
"1551808","10.887","0.003","4.663","0.001","15.784","0.003","90","","103.09","0.02","90","","780.5","0.3","295","2","295","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(R)-(+)-1-[1-methylpyrrol-2-yl)acetyl]-4-[(1-phenylethyl)semicarbazide","","- C16 H20 N4 O2 -","- C16 H20 N4 O2 -","- C32 H40 N8 O4 -","2","1","","PITUCHA, Monika; RZACZYNSKA, Zofia; MAZUR, Liliana","Synthesis and Structural Studies of (R)-(+)-1-[(1-Methylpyrrol-2-yl)acetyl]-4-(1-phenylethyl)semicarbazide","X-ray Structure Analysis Online","2009","25","","67","","10.2116/xraystruct.25.67","","","0.71073","MoKα","","0.1979","0.0568","","","0.0904","0.1247","","","","","","0.969","","","","has coordinates","216421","2020-10-21","18:00:00",""
"1551809","9.702","0.002","11.936","0.003","13.977","0.004","90","","104.677","0.001","90","","1565.8","0.7","123.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C38 H52 O2 -","- C38 H52 O2 -","- C76 H104 O4 -","2","1","","KUBO, Kanji; TSUJI, Kazuki; MATSUMOTO, Taisuke; MORI, Akira","Crystal Structure of Cholesteryl 1-Naphthoate","X-ray Structure Analysis Online","2009","25","","29","","10.2116/xraystruct.25.29","","","0.7107","MoKα","","","0.0611","","","","0.1481","","","","","","1.13","","","","has coordinates","216422","2020-10-21","18:00:00",""
"1551810","10.953","0.002","5.5272","0.0006","18.754","0.004","90","","108.306","0.016","90","","1077.9","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N2 O4 -","- C10 H12 N2 O4 -","- C40 H48 N8 O16 -","4","1","","KILIÇ, Isin; ERSAHIN, Ferda; AGAR, Erbil; ISIK, Samil","Crystal Structure of N-n-Propylalcohol-2-oxo-5-nitro-1-benzylidene-methylamine","X-ray Structure Analysis Online","2009","25","","25","","10.2116/xraystruct.25.25","","","0.71073","MoKα","","0.1606","0.0719","","","0.1109","0.1368","","","","","","1.084","","","","has coordinates","216423","2020-10-21","18:00:00",""
"1551811","20.375","0.003","41.499","0.003","8.139","0.003","90","","90","","90","","6882","3","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H19 N O5 -","- C21 H19 N O5 -","- C336 H304 N16 O80 -","16","2","","KAMIGAUCHI, Miyoko; NODA, Yuko; IWASA, Kinuko; IN, Yasuko; ISHIDA, Toshimasa","Addendum: Crystal Structure of (dl)-Corynoloxine [X-ray Structure Analysis Online, Vol. 25, p. 1 (2009)]","X-ray Structure Analysis Online","2009","25","","45","","10.2116/xraystruct.25.45","","","1.54178","CuKα","","0.1548","0.0695","","","0.1712","0.2034","","","","","","1.113","","","","has coordinates","216424","2020-10-21","18:00:00",""
"1551812","13.435","0.003","23.358","0.003","10.139","0.003","90","","90","","90","","3181.8","1.2","298","2","298","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H20 O5 -","- C20 H20 O5 -","- C160 H160 O40 -","8","1","","KAMIGAUCHI, Miyoko; IN, Yasuko; ISHIDA, Toshimasa","X-ray Structure Analysis of (dl)-DeN-Corynoline, Derived from Hexahydorobenzo[c]phenanthridine Type Alkaloid Corynoline","X-ray Structure Analysis Online","2009","25","","27","","10.2116/xraystruct.25.27","","","1.54178","CuKα","","0.0649","0.05","","","0.1388","0.1462","","","","","","1.191","","","","has coordinates","216425","2020-10-21","18:00:00",""
"1551813","15.5243","0.0007","10.0196","0.0005","20.0731","0.001","90","","100.292","0.004","90","","3072.1","0.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 Cl Hg I2 O2 P S -","- C28 H26 Cl Hg I2 O2 P S -","- C112 H104 Cl4 Hg4 I8 O8 P4 S4 -","4","1","","SABOUNCHEI, Seyyed Javad; NEMATTALAB, Hassan; KHAVASI, Hamid Reza","Crystal Structure of Diiodo, (4′-Chlorobenzoylmethylenetriphenylphosphorane), (dimethylsulfoxide), Mercury(II) Complex, C28H26ClHgI2O2PS","X-ray Structure Analysis Online","2009","25","","13","","10.2116/xraystruct.25.13","","","0.71073","MoKα","","0.0344","0.0315","","","0.0823","0.084","","","","","","1.079","","","","has coordinates","216426","2020-10-21","18:00:00",""
"1551814","4.9865","0.0007","5.5716","0.0007","12.544","0.002","74.793","0.008","80.413","0.009","85.001","0.01","331.26","0.08","123.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C5 H6 N2 O2 S -","- C5 H6 N2 O2 S -","- C10 H12 N4 O4 S2 -","2","1","","TANIGUCHI, Kazutaka; OKUMURA, Hisako; HONDA, Mitsunori; SUDA, Mitsuhiro; FUJINAMI, Shuhei; KUWAE, Akio; HANAI, Kazuhiko; MAEDA, Shiro; KUNIMOTO, Ko-Ki","A New Polymorph of 1-Acetyl-2-thiohydantoin","X-ray Structure Analysis Online","2009","25","","93","","10.2116/xraystruct.25.93","","","0.7107","MoKα","","","0.0355","","","","0.101","","","","","","1.104","","","","has coordinates","216427","2020-10-21","18:00:00",""
"1551815","17.6158","0.0013","9.2327","0.0007","17.6983","0.0013","90","","102.771","0.002","90","","2807.3","0.4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Br2 Co N4 O4 -","- C30 H26 Br2 Co N4 O4 -","- C120 H104 Br8 Co4 N16 O16 -","4","0.5","","GOLCHOUBIAN, Hamid; GHOLAMNEZHAD, Parisa","Crystal and Molecular Structure of Co(II) Complex with N,N′-Bis(pyridine-2-ylmethyl)-N,N′-bis(5-bromo-3-formyl-2-hydroxybenzyl)-1,2-diamine Ligand","X-ray Structure Analysis Online","2009","25","","95","","10.2116/xraystruct.25.95","","","0.71073","MoKα","","0.0557","0.0339","","","0.0605","0.0648","","","","","","1.009","","","","has coordinates","216428","2020-10-21","18:00:00",""
"1551816","8.6324","0.0006","6.8543","0.0005","27.61","0.002","89.982","0.004","89.783","0.004","89.99","0.005","1633.6","0.2","296.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C38 H38 Si2 -","- C38 H38 Si2 -","- C76 H76 Si4 -","2","1","","ANZAI, Fumiaki; KATAISHI, Takumi; NAKANO, Taichi; HIRAYAMA, Mieko; HIRAYAMA, Noriaki","Crystal Structure of a Novel Diyne, 1,4-Bis(4-((Z)-1-phenyl-2-(trimethylsilyl)vinyl)phenyl)buta-1,3-diyne","X-ray Structure Analysis Online","2009","25","","63","","10.2116/xraystruct.25.63","","","1.54187","CuKα","","","0.0501","","","","0.1413","","","","","","1.052","","","","has coordinates","216429","2020-10-21","18:00:00",""
"1551817","7.5424","0.0004","11.9347","0.0006","15.2506","0.0007","90","","90","","90","","1372.8","0.12","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C16 H16 O2 S -","- C16 H16 O2 S -","- C64 H64 O8 S4 -","4","1","","POOR HERAVI, Mohammad R.; LOGHMANI-KHOUZANI, Hossein; SADEGHI, Majid M. M.; ZENDEHDEL, Mahmoud; JACKSON, Richard F. W.; ADAMS, H.","Crystal Structure of 2-(4-Methoxybenzylthio)-1-phenylethanone","X-ray Structure Analysis Online","2009","25","","43","","10.2116/xraystruct.25.43","","","0.71073","MoKα","","0.0313","0.0274","","","0.0673","0.0692","","","","","","1.035","","","","has coordinates","216430","2020-10-21","18:00:00",""
"1557240","20.9331","0.0009","6.0827","0.0003","15.253","0.0011","90","","132.9","0.001","90","","1422.72","0.14","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Br4 Se -","- C10 H16 Br4 Se -","- C40 H64 Br16 Se4 -","4","0.5","","Potapov, Vladimir A.; Musalov, Maxim V.; Kurkutov, Evgeny O.; Yakimov, Vladimir A.; Khabibulina, Alfiya G.; Musalova, Maria V.; Amosova, Svetlana V.; Borodina, Tatyana N.; Albanov, Alexander I.","Remarkable Alkene-to-Alkene and Alkene-to-Alkyne Transfer Reactions of Selenium Dibromide and PhSeBr. Stereoselective Addition of Selenium Dihalides to Cycloalkenes.","Molecules (Basel, Switzerland)","2020","25","1","194","","10.3390/molecules25010194","","","0.71073","MoKα","","0.0216","0.0183","","","0.0395","0.0405","","","","","","1.103","","","","has coordinates","247876","2020-10-21","18:00:00",""
"1557241","20.6655","0.0016","6.0655","0.0005","14.7555","0.0019","90","","133.69","0.002","90","","1337.4","0.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H16 Cl4 Se -","- C10 H16 Cl4 Se -","- C40 H64 Cl16 Se4 -","4","0.5","","Potapov, Vladimir A.; Musalov, Maxim V.; Kurkutov, Evgeny O.; Yakimov, Vladimir A.; Khabibulina, Alfiya G.; Musalova, Maria V.; Amosova, Svetlana V.; Borodina, Tatyana N.; Albanov, Alexander I.","Remarkable Alkene-to-Alkene and Alkene-to-Alkyne Transfer Reactions of Selenium Dibromide and PhSeBr. Stereoselective Addition of Selenium Dihalides to Cycloalkenes.","Molecules (Basel, Switzerland)","2020","25","1","194","","10.3390/molecules25010194","","","0.71073","MoKα","","0.0274","0.0266","","","0.0633","0.0637","","","","","","1.138","","","","has coordinates","247877","2020-10-21","18:00:00",""
"1557242","9.1273","0.0002","12.0439","0.0002","12.0526","0.0002","62.4993","0.0008","75.9211","0.001","79.9212","0.0009","1136.88","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H19 Co N2 O7 S -","- C23 H19 Co N2 O7 S -","- C46 H38 Co2 N4 O14 S2 -","2","1","","Chhetri, Pradhumna Mahat; Wu, Ming-Hao; Hsieh, Chou-Ting; Yang, Xiang-Kai; Wu, Chen-Ming; Yang, En-Che; Wang, Chih-Chieh; Chen, Jhy-Der","A Pair of Co<sup>II</sup> Supramolecular Isomers Based on Flexible Bis-Pyridyl-Bis-Amide and Angular Dicarboxylate Ligands.","Molecules (Basel, Switzerland)","2020","25","1","201","","10.3390/molecules25010201","","","0.71073","MoKα","","0.033","0.0293","","","0.0787","0.0815","","","","","","1.038","","","","has coordinates","247878","2020-10-21","18:00:00",""
"1557243","9.2206","0.0008","11.0642","0.001","13.345","0.0012","96.611","0.005","109.696","0.005","103.697","0.005","1216.7","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C23.5 H22 Co N2 O8 S -","- C23.5 H21.5 Co N2 O8 S -","- C47 H43 Co2 N4 O16 S2 -","2","1","","Chhetri, Pradhumna Mahat; Wu, Ming-Hao; Hsieh, Chou-Ting; Yang, Xiang-Kai; Wu, Chen-Ming; Yang, En-Che; Wang, Chih-Chieh; Chen, Jhy-Der","A Pair of Co<sup>II</sup> Supramolecular Isomers Based on Flexible Bis-Pyridyl-Bis-Amide and Angular Dicarboxylate Ligands.","Molecules (Basel, Switzerland)","2020","25","1","201","","10.3390/molecules25010201","","","0.71073","MoKα","","0.0946","0.0573","","","0.1348","0.1531","","","","","","1.024","","","","has coordinates","247878","2020-10-21","18:00:00",""
"1557745","13.9484","0.0012","18.528","0.0016","7.0215","0.0008","90","","90","","90","","1814.6","0.3","293","1","293","1","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C9 H8 K N O3 -","- C9 H8 K N O3 -","- C72 H64 K8 N8 O24 -","8","1","","Bakalorz, Karolina; Przypis, Łukasz; Tomczyk, Mateusz Michał; Książek, Maria; Grzesik, Ryszard; Kuźnik, Nikodem","Unprecedented Water Effect as a Key Element in Salicyl-Glycine Schiff Base Synthesis.","Molecules (Basel, Switzerland)","2020","25","5","1257","","10.3390/molecules25051257","","","0.71073","MoKα","","0.0525","0.0387","","","0.084","0.0894","","","","","","1.084","","","","has coordinates","250388","2020-10-21","18:00:00",""
"1557746","18.879","0.003","6.2395","0.0006","8.7555","0.0009","90","","99.765","0.012","90","","1016.4","0.2","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H9 K N O4 -","- C9 H9 K N O4 -","- C36 H36 K4 N4 O16 -","4","1","","Bakalorz, Karolina; Przypis, Łukasz; Tomczyk, Mateusz Michał; Książek, Maria; Grzesik, Ryszard; Kuźnik, Nikodem","Unprecedented Water Effect as a Key Element in Salicyl-Glycine Schiff Base Synthesis.","Molecules (Basel, Switzerland)","2020","25","5","1257","","10.3390/molecules25051257","","","1.54184","CuKα","","0.0869","0.0615","","","0.1611","0.1854","","","","","","1.077","","","","has coordinates,has disorder","250388","2020-10-21","18:00:00",""
"1558995","13.7178","0.0014","20.452","0.002","27.659","0.003","90","","90","","90","","7759.9","1.4","296","2","296","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","[Bis(3,7-dibenzyl-1,5-di(1’-(R)-phenylethyl)-1,5-diaza-3,7-diphosphacyclooctane)- bis(acetonitrile)iron(II)] tetrafluoroborate","","- C76 H92 B2 F8 Fe N8 P4 -","- C76 H92 B2 F8 Fe N8 P4 -","- C304 H368 B8 F32 Fe4 N32 P16 -","4","1","","Spiridonova, Yulia S.; Nikolaeva, Yulia A.; Balueva, Anna S.; Musina, Elvira I.; Litvinov, Igor A.; Strelnik, Igor D.; Khrizanforova, Vera V.; Budnikova, Yulia G.; Karasik, Andrey A.","Synthesis and Structure of Iron (II) Complexes of Functionalized 1,5-Diaza-3,7-Diphosphacyclooctanes.","Molecules (Basel, Switzerland)","2020","25","17","3775","","10.3390/molecules25173775","","","0.71073","MoKα","","0.2051","0.0791","","","0.1537","0.2081","","","","","","1.007","","","","has coordinates","256195","2020-10-21","18:00:00",""
"1558996","22.651","0.002","22.651","0.002","15.3431","0.0017","90","","90","","120","","6817.4","1.1","100","2","100","2","","","","","","","","8","P 3 2 1","P 3 2""","150","","[Bis(3,7-dibenzyl-1,5-di(1?-(R)-phenylethyl)-1,5-diaza-3,7-diphosphacyclooctane)- tetrafluoroboratoiron(II)] tetrafluoroborate","","- C249 H294 B5 F20 Fe3 N12 O15 P12 -","- C249 H330 B5 F20 Fe3 N12 O15 P12 -","- C249 H330 B5 F20 Fe3 N12 O15 P12 -","1","0.166667","","Spiridonova, Yulia S.; Nikolaeva, Yulia A.; Balueva, Anna S.; Musina, Elvira I.; Litvinov, Igor A.; Strelnik, Igor D.; Khrizanforova, Vera V.; Budnikova, Yulia G.; Karasik, Andrey A.","Synthesis and Structure of Iron (II) Complexes of Functionalized 1,5-Diaza-3,7-Diphosphacyclooctanes.","Molecules (Basel, Switzerland)","2020","25","17","3775","","10.3390/molecules25173775","","","0.71073","MoKα","","0.2191","0.104","","","0.2221","0.2794","","","","","","0.973","","","","has coordinates","256196","2020-10-21","18:00:00",""
"1559974","8.882","0.0006","11.638","0.0007","18.0177","0.001","90","","100.305","0.002","90","","1832.42","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10,12-dimethoxy-7-phenyl-5H,7H-7λ4,14λ4-benzo[d]benzo[5,6][1,3,2]oxazaborinino[2,3-b][1,3,2]oxazaborinin-5-one","","- C22 H18 B N O5 -","- C22 H18 B N O5 -","- C88 H72 B4 N4 O20 -","4","1","","Guieu, Samuel; Esteves, Cátia I C; Rocha, João; Silva, Artur M. S.","Multicomponent Synthesis of Luminescent Iminoboronates.","Molecules (Basel, Switzerland)","2020","25","24","6039","","10.3390/molecules25246039","","","0.71073","MoKα","","0.1052","0.06","","","0.1091","0.1243","","","","","","1.063","","","","has coordinates","260832","2021-01-07","16:06:01",""
"1559975","28.3","0.002","7.6129","0.0007","17.6359","0.0014","90","","121.819","0.004","90","","3228.6","0.5","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H14 B N O3 -","- C20 H14 B N O3 -","- C160 H112 B8 N8 O24 -","8","1","","Guieu, Samuel; Esteves, Cátia I C; Rocha, João; Silva, Artur M. S.","Multicomponent Synthesis of Luminescent Iminoboronates.","Molecules (Basel, Switzerland)","2020","25","24","6039","","10.3390/molecules25246039","","","0.71073","MoKα","","0.1076","0.0663","","","0.139","0.1549","","","","","","1.128","","","","has coordinates","260833","2021-01-07","16:06:26",""
"1559976","11.1926","0.0005","10.5497","0.0005","15.8352","0.0008","90","","91.214","0.002","90","","1869.38","0.15","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","10,12-dihydroxy-7-phenyl-5H,7H-7l4,14l4-benzo[d]benzo[5,6][1,3,2]oxazaborinino[2,3-b][1,3,2]oxazaborinin-5-one","","- C21 H18 B N O6 -","- C21 H18 B N O6 -","- C84 H72 B4 N4 O24 -","4","1","","Guieu, Samuel; Esteves, Cátia I C; Rocha, João; Silva, Artur M. S.","Multicomponent Synthesis of Luminescent Iminoboronates.","Molecules (Basel, Switzerland)","2020","25","24","6039","","10.3390/molecules25246039","","","0.71073","MoKα","","0.0533","0.0418","","","0.114","0.1203","","","","","","1.098","","","","has coordinates","260834","2021-01-07","16:06:49",""
"1559977","13.044","0.0008","9.8669","0.0006","18.6798","0.0011","90","","98.266","0.001","90","","2379.2","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H29 B17 N2 Ni -","- C14 H29 B17 N2 Ni -","- C56 H116 B68 N8 Ni4 -","4","1","","Andreichuk, Ekaterina P.; Anufriev, Sergey A.; Suponitsky, Kyrill Yu; Sivaev, Igor B.","The First Nickelacarborane with <i>closo</i>-<i>nido</i> Structure.","Molecules (Basel, Switzerland)","2020","25","24","6009","","10.3390/molecules25246009","","","0.71073","MoKα","","0.0785","0.0408","","","0.0843","0.099","","","","","","1.02","","","","has coordinates","260835","2021-01-07","16:07:14",""
"1571394","10.1298","0.0006","10.14","0.0006","24.4558","0.0013","84.557","0.005","85.566","0.005","78.612","0.005","2447","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C56 H90 Si -","- C56 H90 Si -","- C112 H180 Si2 -","2","1","","Mochihara, Kazuki; Morimoto, Tatsuto; Ota, Kei; Marumoto, Shinsuke; Hashizume, Daisuke; Matsuo, Tsukasa","Approach to the “Missing” Diarylsilylene: Formation, Characterization, and Intramolecular C–H Bond Activation of Blue Diarylsilylenes with Bulky Rind Groups","International Journal of Molecular Sciences","2024","25","7","3761","","10.3390/ijms25073761","","x-ray","0.71073","MoKα","","0.1496","0.0768","","","0.163","0.1914","","","","","","1.023","","","","has coordinates","291085","2024-04-05","11:49:03",""
"1571395","32.72","0.007","18.594","0.004","16.662","0.004","90","","104.756","0.003","90","","9803","4","100","","100","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C56 H90 Si -","- C56 H90 Si -","- C448 H720 Si8 -","8","1","","Mochihara, Kazuki; Morimoto, Tatsuto; Ota, Kei; Marumoto, Shinsuke; Hashizume, Daisuke; Matsuo, Tsukasa","Approach to the “Missing” Diarylsilylene: Formation, Characterization, and Intramolecular C–H Bond Activation of Blue Diarylsilylenes with Bulky Rind Groups","International Journal of Molecular Sciences","2024","25","7","3761","","10.3390/ijms25073761","","","0.71073","MoKα","","0.0969","0.0757","","","0.1704","0.1823","","","","","","1.098","","","","has coordinates,has disorder","291086","2024-04-05","11:49:26",""
"1571396","12.9236","0.0003","18.9633","0.0004","20.6577","0.0005","90","","102.518","0.002","90","","4942.3","0.2","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H92 O Si -","- C56 H92 O Si -","- C224 H368 O4 Si4 -","4","1","","Mochihara, Kazuki; Morimoto, Tatsuto; Ota, Kei; Marumoto, Shinsuke; Hashizume, Daisuke; Matsuo, Tsukasa","Approach to the “Missing” Diarylsilylene: Formation, Characterization, and Intramolecular C–H Bond Activation of Blue Diarylsilylenes with Bulky Rind Groups","International Journal of Molecular Sciences","2024","25","7","3761","","10.3390/ijms25073761","","","0.71073","MoKα","","0.0657","0.0455","","","0.107","0.1147","","","","","","1.048","","","","has coordinates,has disorder","291087","2024-04-05","11:49:47",""
"2002434","8.3542","0.0004","8.3542","0.0004","8.3542","0.0004","90","","90","","90","","583.1","","","","","","","","","","","","","4","P m -3 m","-P 4 2 3","221","","Barium platinum(IV) platinum yttrium oxide (8/3/1/3/17.5)","","- Ba8 O17.5 Pt4 Y3 -","- Ba8 O17.496 Pt4 Y3 -","- Ba8 O17.496 Pt4 Y3 -","1","0.0208333","","Gutau, W; Mueller-Buschbaum, Hk","Isolierte planare Pt O4-Baugruppen in Ba8 Pt4 Y3 O17.5","European Journal of Solid State Inorganic Chemistry","1988","25","","231","234","","","","","","","0.055","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"2105366","10.31","","8.07","","6.62","","90","","90","","90","","550.795","","","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ag4 Mn Sb2 S6","","- Ag4 Mn S6 Sb2 -","- Ag4 Mn S6 Sb2 -","- Ag8 Mn2 S12 Sb4 -","2","0.5","","Synecek, V.; Hruskova, J.","The crystal structure of samsonite, (Ag2 S)2 (Mn S) (Sb2 S3)","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1004","1006","","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"2105368","8.627","","8.627","","8.627","","90","","90","","90","","642.066","","","","","","","","","","","","","4","P 21 3","P 2ac 2ab 3","198","","Ag4 Te (N O3)2","","- Ag4 N2 O6 Te -","- Ag4 N2 O6 Te -","- Ag16 N8 O24 Te4 -","4","0.333333","","Bergerhoff, G.; Schultze-Rhonhof, E.","Die Kristallstruktur des beta-Tetraargentotellurnitrates, beta-Ag4 Te (N O3)2","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2645","2648","10.1107/S0567740869006182","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105407","11.38","","6.382","","11.304","","90","","90","","90","","820.977","","","","","","","","","","","","","3","P n a 21","P 2c -2n","33","","Ca B2 O4","","- B2 Ca O4 -","- B2 Ca O4 -","- B24 Ca12 O48 -","12","3","","Remeika, J.P.; Marezio, M.; Dernier, P.D.","The Crystal Structure of the High Pressure Phase Ca B2 O4 (III)","Acta Crystallographica B (24,1968-38,1982)","1969","25","","955","964","10.1107/S0567740869003244","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105408","9.008","","9.008","","9.008","","90","","90","","90","","730.946","","","","","","","","","","","","","3","P a -3","-P 2ac 2ab 3","205","","Ca (B2 O4)","","- B2 Ca O4 -","- B2 Ca O4 -","- B24 Ca12 O48 -","12","0.5","","Marezio, M.; Dernier, P.D.; Remeika, J.P.","The crystal structure of the high pressure phase, Ca B2 O4 (IV), and polymorphism in Ca B2 O4","Acta Crystallographica B (24,1968-38,1982)","1969","25","","965","970","10.1107/S0567740869003256","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105429","23.44","","23.44","","23.44","","90","","90","","90","","12878.7","","","","","","","","","","","","","2","F m -3 c","-F 4a 2 3","226","","Y B65.9","","- B65.9 Y -","- B65.864 Y -","- B1580.74 Y24 -","24","0.125","","Richards, S.M.; Kasper, J.S.","The crystal structure of Y B66","Acta Crystallographica B (24,1968-38,1982)","1969","25","","237","251","10.1107/S056774086900207X","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2105432","8.56","","8.56","","13.2","","90","","90","","90","","967.212","","","","","","","","","","","","","3","P 41 2 2","P 4w 2c","91","","Ba B8 O13","","- B8 Ba O13 -","- B8 Ba O13 -","- B32 Ba4 O52 -","4","0.5","","Ihara, M.; Krogh-Moe, J.","On the crystal structure of barium tetraborate, Ba O (B2 O3)4","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2153","2154","10.1107/S0567740869005279","","","","","","","","","","","","","","","","","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"2106081","4.223","","4.223","","11.19","","90","","90","","90","","199.559","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","","","- Ga4 Na -","- Ga4 Na -","- Ga8 Na2 -","2","0.0625","","Bruzzone, G.","The Al4 Ba structure type in intermetallic compounds","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1206","1207","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106134","7.86","","6.52","","5.3","","90","","90","","90","","271.61","","","","","","","","","","","","","2","P m m m","-P 2 2","47","","","","- Cd2 Zr3 -","- Cd2 Zr3 -","- Cd2 Zr3 -","1","0.125","","Arunsingh; Dayal, B.","On the crystal structure of Cd-Zr intermetallic compounds","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1010","1011","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106135","4.4151","","4.4151","","4.307","","90","","90","","90","","83.957","","","","","","","","","","","","","2","P 4/m m m","-P 4 2","123","","","","- Cd3 Zr -","- Cd3 Zr -","- Cd3 Zr -","1","0.0625","","Arunsingh; Dayal, B.","On the crystal structure of Cd-Zr intermetallic compounds","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1010","1011","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106161","6.057","","6.057","","6.057","","90","","90","","90","","222.215","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","(Cu0.25 Ga0.25 Zn0.5) Te","","- Cu0.25 Ga0.25 Te Zn0.5 -","- Cu0.25 Ga0.25 Te Zn0.5 -","- Cu Ga Te4 Zn2 -","4","0.0416667","","Parthe, E.; Yvon, K.; Deich, R.H.","The crystal structure of Cu2 Cd Ge S4 and other quaternary normal tetrahedral structure compounds","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1164","1174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106162","5.475","","5.475","","5.475","","90","","90","","90","","164.117","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","(Cu0.25 In0.25 Zn0.5) S","","- Cu0.25 In0.25 S Zn0.5 -","- Cu0.25 In0.25 S Zn0.5 -","- Cu In S4 Zn2 -","4","0.0416667","","Parthe, E.; Yvon, K.; Deitch, R.H.","The crystal structure of Cu2 Cd Ge S4 and other quaternary normal tetrahedral structure componds","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1164","1174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106163","5.733","","5.733","","5.733","","90","","90","","90","","188.428","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","(Cu0.25 In0.25 Zn0.5) Se","","- Cu0.25 In0.25 Se Zn0.5 -","- Cu0.25 In0.25 Se Zn0.5 -","- Cu In Se4 Zn2 -","4","0.0416667","","Parthe, E.; Yvon, K.; Deitch, R.H.","The crystal structure of Cu2 Cd Ge S4 and other quaternary normal tetrahedral structure componds","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1164","1174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106263","8.7021","","11.4769","","7.035","","90","","90","","90","","702.607","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","K U2 F9","","- F9 K U2 -","- F9 K U2 -","- F36 K4 U8 -","4","0.5","","Brunton, G.","The crystal structure of K U2 F9","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1919","1921","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106285","9.178","","5.378","","16.55","","90","","111.3","","90","","761.095","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Zr (H As O4)2 H2 O","","- As2 H4 O9 Zr -","- As2 O9 Zr -","- As8 O36 Zr4 -","4","1","","Clearfield, A.; Duax, W.L.","The crystal structure of the ion exchanger zirconium bis(monohydrogen orthoarsenate) monohydrate","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2658","2662","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106297","8.9","","5.24","","6.04","","90","","101.2","","90","","276.317","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Na2 (C O3)","","- C Na2 O3 -","- C Na2 O3 -","- C4 Na8 O12 -","4","0.5","","Dubbeldam, G.C.; de Wolff, P.M.","The average crystal structure of gamma Na2 C O3","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2665","2667","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106382","7.306","","7.54","","7.692","","90","","90.881","","90","","423.681","","","","","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","W O3","","- O3 W -","- O3 W -","- O24 W8 -","8","2","","Loopstra, B.O.; Rietveld, H.M.","Further refinement of the structure of W O3","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1420","1421","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106785","5.5562","","5.4069","","16.073","","90","","95.886","","90","","480.316","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Na4 (Zr2 F12)","","- F12 Na4 Zr2 -","- F12 Na4 Zr2 -","- F24 Na8 Zr4 -","2","0.5","","Brunton, G.","The cyrstal structure of gamma-Na2 Zr F6","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2164","2166","","","","","","","","","","","","","","","","","","","","","","has coordinates","283803","2023-05-16","08:05:53",""
"2106791","8.477","","8.364","","7.308","","88.383","","96.083","","106.333","","494.438","","","","","","","","","","","","","4","P -1","-P 1","2","","(N H4)4 Th F8","","- F8 H16 N4 Th -","- F8 N4 Th -","- F16 N8 Th2 -","2","1","","Ryan, R.R.; Penneman, R.A.; Rosenzweig, A.","The Crystal Structure of Ammonium Thorium(IV) Octafluoride, (N H4)4 Th F8","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1958","1962","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106811","9.691","","8.017","","7.828","","90","","90","","90","","608.179","","","","","","","","","","","","","4","P 21 21 2","P 2 2ab","18","","Ba S4 (H2 O)","","- Ba H2 O S4 -","- Ba H2 O S4 -","- Ba4 H8 O4 S16 -","4","1","","Abrahams, S. C.; Bernstein, J. L.","Measurement of the Structure of Piezoelectric Ba S4 (H2 O)","Acta Crystallographica B (24,1968-38,1982)","1969","25","11","2365","2370","10.1107/S0567740869005711","","","","","","","","","","","","","","","","","","","","","has coordinates","189185","2020-10-21","18:00:00",""
"2106827","13.091","","3.277","","5.897","","90","","118.91","","90","","221.451","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Co Mo2 S4 -","- Co Mo2 S4 -","- Co2 Mo4 S8 -","2","0.25","","Anzenhofer, K.; de Boer, J.J.","Refinement of crystal structure of Co Mo2 S4","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1419","1420","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106829","5.898","","5.898","","5.898","","95.4","","95.4","","95.4","","202.253","","","","","","","","","","","","","4","R 3 :R","P 3*","146","","Ni (S O3) (H2 O)6","","- H12 Ni O9 S -","- H12 Ni O9 S -","- H12 Ni O9 S -","1","0.333333","","Baggio, S.; Becka, L.N.","A reinvestigation of the structure of nickel sulphite hexahydrate, Ni S O3 (H2 O)6","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1150","1155","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106835","12.04","","6.36","","8.28","","93","","92.4","","95.9","","629.1","","","","","","","","","","","","","4","P -1","-P 1","2","","Zr2 (S O4)4 (H2 O)14","","- H28 O30 S4 Zr2 -","- O30 S4 Zr2 -","- O30 S4 Zr2 -","1","0.5","","Bear, I.J.; Mumme, W.G.","The Crystal Chemistry of Zirconium Sulphates. I. The Structure of the Heptahydrate, a Dimer with the Formula Zr2 (S O4)4 (H2 O)7","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1558","1565","","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"2106836","11.9","","6.17","","7.57","","106.5","","95.7","","104.6","","506.891","","","","","","","","","","","","","4","P -1","-P 1","2","","Zr2 (S O4)4 (H2 O)10","","- H20 O26 S4 Zr2 -","- O26 S4 Zr2 -","- O26 S4 Zr2 -","1","0.5","","Bear, I.J.; Mumme, W.G.","The Crystal Chemistry of Zirconium Sulphates. II. The Structure of the alpha-Pentahydrate, Zr2 (S O4)4 (H2 O)8 * (H2 O)2","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1566","1572","","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"2106837","8.55","","7.6","","7.71","","101.4","","98.6","","89.9","","485.39","","","","","","","","","","","","","4","P -1","-P 1","2","","Zr2 (S O4)4 (H2 O)10","","- H20 O26 S4 Zr2 -","- O26 S4 Zr2 -","- O26 S4 Zr2 -","1","0.5","","Bear, I.J.; Mumme, W.G.","The Crystal Chemistry of Zirconium Sulphates. III. The Structure of the beta-Pentahydrate, Zr2 (S O4)4 (H2 O)8 * (H2 O)2, and the Inter-relationship of the Four Higher Hydrates","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1572","1580","","","","","","","","","","","","","","","","","","","","","","has coordinates","200438","2020-10-21","18:00:00",""
"2106848","6.5528","","6.5528","","3.749","","90","","90","","120","","139.412","","","","","","","","","","","","","3","P -6 2 m","P -6 -2","189","","K2 (U F6)","","- F6 K2 U -","- F6 K2 U -","- F6 K2 U -","1","0.0833333","","Brunton, G.","Refinement of the crystal structure of beta1-K2 U F6","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2163","2164","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106849","9.9056","","9.9056","","13.282","","90","","90","","120","","1128.64","","","","","","","","","","","","","4","P 3 c 1","P 3 -2""c","158","","Na3 Li4 Th6 F31","","- F31 Li4 Na3 Th6 -","- F31 Li4 Na3 Th6 -","- F62 Li8 Na6 Th12 -","2","0.333333","","Brunton, G.; Sears, D.R.","The Neutron and X-ray Crystal Structure of (Na Li)7 Th6 F31 with More Than One Least-Squares Minimum","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2519","2525","","","","","","","","","","","","","","","","","","","","","","has coordinates","160915","2020-10-21","18:00:00",""
"2106857","9.59","","4.39","","5.42","","90","","99.75","","90","","224.887","","","","","","","","","","","","","2","P 1 21/m 1","-P 2yb","11","","Ba (N3)2","","- Ba N6 -","- Ba N6 -","- Ba2 N12 -","2","0.5","","Choi, C.S.","Neutron diffraction study of Ba (N3)2","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2638","2644","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106860","13.992","","3.422","","9.283","","90","","91.76","","90","","444.266","","","","","","","","","","","","","2","C 1 2/m 1","-C 2y","12","","","","- Nb2 Se -","- Nb2 Se -","- Nb16 Se8 -","8","1","","Conard, B.R.; Norrby, L.J.; Franzen, H.F.","The crystal structure of Nb2 Se","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1729","1735","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106863","36.69","","36.57","","3.945","","90","","90","","90","","5293.22","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","Nb8 W9 O47","","- Nb8 O32 W9 -","- Nb8 O32 W9 -","- Nb48 O192 W54 -","6","0.75","","Craig, D.C.; Stephenson, N.C.","The crystal structure of Nb8 W9 O47","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2071","2083","","","","","","","","","","","","","","","","","","","","","","has coordinates","161063","2020-10-21","18:00:00",""
"2106903","5.28","","9.14","","8.786","","90","","90","","90","","424.005","","","","","","","","","","","","","5","P 21 c n","P -2n 2a","33","","(N H4) Li (S O4)","","- H4 Li N O4 S -","- H4 Li N O4 S -","- H16 Li4 N4 O16 S4 -","4","1","","Dollase, W. A.","N H4 Li S O4: A variant of the general tridymite structure","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2298","2302","","","","","","","","","","","","","","","","","","","","","","has coordinates","189062","2020-10-21","18:00:00",""
"2106924","9.19","","10.891","","14.522","","90","","90","","90","","1453.48","","","","","","","","","","","","","3","P b c n","-P 2n 2ab","60","","K2 S5 O16","","- K2 O16 S5 -","- K2 O16 S5 -","- K8 O64 S20 -","4","0.5","","de Vries, R.; Mijlhoff, F.C.","The Crystal Structure of Potassium Pentasulphate K2 S5 O16","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1696","1699","","","","","","","","","","","","","","","","","","","","","","has coordinates","163784","2020-10-21","18:00:00",""
"2106954","7.379","","5.574","","15.19","","90","","90","","90","","624.773","","","","","","","","","","","","","2","P b c m","-P 2c 2b","57","","Ta2 S","","- S Ta2 -","- S Ta2 -","- S12 Ta24 -","12","1.5","","Franzen, H.F.; Smeggil, J.G.","The Crystal Structure of Ta2 S","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1736","1741","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106966","9.9","","5.408","","5.171","","90","","90","","90","","276.851","","","","","","","","","","","","","2","P n a 21","P 2c -2n","33","","","","- Cd P2 -","- Cd P2 -","- Cd4 P8 -","4","1","","Goodyear, J.; Steigmann, G.A.","The crystal structure of alpha-Cd P2","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2371","2374","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106975","10.274","","10.274","","3.125","","90","","90","","90","","329.86","","","","","","","","","","","","","2","P 4/m b m","-P 4 2ab","127","","","","- Li2 Sn5 -","- Li2 Sn5 -","- Li4 Sn10 -","2","0.125","","Hansen, D.A.; Chang, L.J.","Crystal Structure of Li2 Sn5","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2392","2395","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2106976","4.5961","","4.5961","","8.93","","90","","90","","120","","163.366","","","","","","","","","","","","","3","P -6 2 c","P -6c -2c","190","","Sr Be3 O4","","- Be3 O4 Sr -","- Be3 O4 Sr -","- Be6 O8 Sr2 -","2","0.166667","","Harris, L.A.; Yakel, H.L.jr.","The Crystal Structure of Sr Be3 O4","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1647","1651","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2106981","4.136","","11.816","","6.822","","90","","90","","90","","333.398","","","","","","","","","","","","","2","A m m 2","A 2 -2","38","","U3 O8","","- O8 U3 -","- O8 U3 -","- O16 U6 -","2","0.25","","Herak, R.","The Crystal Structure of the High Temperature Modification of U3 O8","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2505","2508","","","","","","","","","","","","","","","","","","","","","","has coordinates","165540","2020-10-21","18:00:00",""
"2106983","17.6","","17.6","","17.6","","90","","90","","90","","5451.78","","","","","","","","","","","","","2","I a -3","-I 2b 2c 3","206","","","","- P4 S9 -","- P4 S9 -","- P64 S144 -","16","0.333333","","Hilmer, W.","Die Struktur eines Phosphor(III,V)-Sulfids der ungefaehren Zusammensetzung P4 S9","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1229","1231","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107006","14.02","","4.54","","10.28","","90","","101.5","","90","","641.194","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","K (P O3)","","- K O3 P -","- K O3 P -","- K8 O24 P8 -","8","2","","Jost, K.H.; Schulze, H.J.","Zur Phasentransformation des Kaliumpolyphosphates (K P O3)x","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1110","1118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107007","14.03","","4.54","","11.56","","90","","64.7","","90","","665.701","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","K (P O3)","","- K O3 P -","- K O3 P -","- K8 O24 P8 -","8","2","","Jost, K.H.; Schulze, H.J.","Zur Phasentransformation des Kaliumpolyphosphates (K P O3)x","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1110","1118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107008","12.8","","4.54","","5.89","","90","","90","","90","","342.28","","","","","","","","","","","","","3","P b n m","-P 2c 2ab","62","","K (P O3)","","- K O3 P -","- K O3 P -","- K4 O12 P4 -","4","0.5","","Jost, K.H.; Schulze, H.J.","Zur Phasentransformation des Kaliumpolyphosphates (K P O3)x","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1110","1118","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107025","12.39","","6.105","","7.56","","90","","115.96","","90","","514.146","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","K2 (W O4)","","- K2 O4 W -","- K2 O4 W -","- K8 O16 W4 -","4","0.5","","Koster, A.S.; Kools, F.X.N.M.; Rieck, G.D.","The crystal structure of potassium tungstate, K2 W O4","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1704","1708","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107075","12.422","","16.53","","7.073","","89.96","","108.76","","123.97","","1110.45","","","","","","","","","","","","","4","P -1","-P 1","2","","Na5 P3 O8 (H2 O)14","","- H28 Na5 O22 P3 -","- H28 Na5 O22 P3 -","- H56 Na10 O44 P6 -","2","1","","Mootz, D.; Altenburg, H.","Die Kristallstruktur von Na5 P3 O8 (H2 O)14, Pentanatrium-triphosphat(IV,III,IV)-14-Wasser","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1077","1089","","","","","","","","","","","","","","","","","","","","","","has coordinates","166777","2020-10-21","18:00:00",""
"2107076","6.593","","6.972","","7.512","","86.54","","73.14","","90.75","","329.686","","","","","","","","","","","","","5","P -1","-P 1","2","","(N H4)2 (P O2 S (N H2))","","- H10 N3 O2 P S -","- H10 N3 O2 P S -","- H20 N6 O4 P2 S2 -","2","1","","Mootz, D.; Goldmann, J.","Die Kristallstruktur von Diammonium-amidothiophosphat","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1256","1262","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107078","9.435","","10.65","","8.583","","108.75","","120.85","","91.75","","680.577","","","","","","","","","","","","","4","P -1","-P 1","2","","((Sn Cl3 P O Cl3) (P O2 Cl2))2","","- Cl16 O6 P4 Sn2 -","- Cl16 O6 P4 Sn2 -","- Cl16 O6 P4 Sn2 -","1","0.5","","Moras, D.; Mitschler, A.; Weiss, R.","Etude Structure du Dioxychlorure de Phosphore-hexachloro dietain(IV)-di-mue-dichlorophosphate. I. Structure Cristalline","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1720","1726","","","","","","","","","","","","","","","","","","","","","","has coordinates","166789","2020-10-21","18:00:00",""
"2107082","8.486","","8.486","","7.465","","90","","90","","90","","537.571","","","","","","","","","","","","","2","I 41/a m d :2","-I 4bd 2","141","","Th Cl4","","- Cl4 Th -","- Cl4 Th -","- Cl16 Th4 -","4","0.125","","Mucker, K.F.; Smith, G.S.; Johnson, Q.; Elson, R.E.","Refinement of the crystal structure of Th Cl4","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2362","2365","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107097","9.72","","9.72","","9.72","","90","","90","","90","","918.33","","","","","","","","","","","","","5","P 21 3","P 2ac 2ab 3","198","","Ca Na (H2 P O2)3","","- Ca H6 Na O6 P3 -","- Ca Na O6 P3 -","- Ca4 Na4 O24 P12 -","4","0.333333","","Matsuzaki, T.; Iitaka, Y.","The Crystal Structure of Calcium Sodium Hypophosphite, Ca Na (H2 P O2)3","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1933","1938","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107110","13.16","","13.16","","13.16","","90","","90","","90","","2279.12","","","","","","","","","","","","","4","I a -3 d","-I 4bd 2c 3","230","","Ba3 (Al (O H)6)2","","- Al2 Ba3 H12 O12 -","- Al2 Ba3 H12 O12 -","- Al16 Ba24 H96 O96 -","8","0.0833333","","Moinuddin Ahmed, A.H.; Dent Glasser, L.S.","Barium aluminate hydrates. I. A barium analogue of hydrogarnet.","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2169","2170","","","","","","","","","","","","","","","","","","","","","","has coordinates","199471","2020-10-21","18:00:00",""
"2107116","14.289","","12.777","","6.038","","90","","90","","90","","1102.36","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","N3 P3 Cl5 F","","- Cl5 F N3 P3 -","- Cl5 F N3 P3 -","- Cl20 F4 N12 P12 -","4","0.5","","Olthof, R.","The Crystal Structure of Compounds with (P-N)n rings. VI. Fluoropentachlorocyclotriphosphazene","Acta Crystallographica B (24,1968-38,1982)","1969","25","","2040","2045","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107119","7.692","","6.555","","6.299","","90","","90","","90","","317.602","","","","","","","","","","","","","4","P m n 21","P 2ac -2","31","","Cu2 Cd Ge S4","","- Cd Cu2 Ge S4 -","- Cd Cu2 Ge S4 -","- Cd2 Cu4 Ge2 S8 -","2","0.5","","Parthe, E.; Yvon, K.; Deitch, R.H.","The Crystal Structure of Cu2 Cd Ge S4 and Other Quaternary Normal Tetrahedral Structure Compounds","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1164","1174","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107200","7.67","","14.02","","7.52","","90","","98.33","","90","","800.12","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Ba Ti5 O11","","- Ba O11 Ti5 -","- Ba O11 Ti5 -","- Ba4 O44 Ti20 -","4","1","","Tillmanns, E.","Die Kristallstruktur von Ba Ti5 O11","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1444","1452","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107204","5.491","","5.491","","15.67","","90","","90","","120","","409.169","","","","","","","","","","","","","2","P -3 m 1","-P 3 2""","164","","","","- Pt3 Ti -","- Pt3 Ti -","- Pt21 Ti7 -","7","0.583333","","Sinha, A.K.","The crystal structure of Ti (Pt.89 Ni.11)3","Acta Crystallographica B (24,1968-38,1982)","1969","25","","996","997","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2107335","19.07","","10.42","","8.98","","90","","90","","90","","1784.41","","","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","Ni (S C (N H2)2)4 S2 O3 H2 O","","- C4 H18 N8 Ni O4 S6 -","- C4 H18 N8 Ni O4 S6 -","- C16 H72 N32 Ni4 O16 S24 -","4","1","","Gasparri, G.F.; Mangia, A.; Musatti, A.; Nardelli, M.","The Crystal and Molecular Structure of Tetra(thiourea)nickel(II) Thiosulphate Monohydrate","Acta Crystallographica B (24,1968-38,1982)","1969","25","","203","213","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107372","8.138","","12.789","","7.156","","94.33","","116.57","","87.65","","664.194","","","","","","","","","","","","","4","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","Na Al Si3 O8","","- Al Na O8 Si3 -","- Al Na O8 Si3 -","- Al4 Na4 O32 Si12 -","4","","","Ribbe, P.H.; Megaw, H.D.; Ferguson, R.B.; Taylor, W.H.; Traill, R.J.","The albite structures","Acta Crystallographica B (24,1968-38,1982)","1969","25","","1503","1518","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"2107377","9.21","","9.15","","22.6","","90","","106.1","","90","","1829.84","","","","","","","","","","","","","1","P 1 2/c 1","-P 2yc","13","","","","- P -","- P -","- P84 -","84","21","","Thurn, H.; Krebs, H.","Ueber Struktur und Eigenschaften der Halbmetalle. XXII. Die Kristallstruktur des Hittorfschen Phosphors","Acta Crystallographica B (24,1968-38,1982)","1969","25","","125","135","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"2310717","5.175","","6.092","","5.488","","90","","90","","90","","173.015","","","","","","","","","","","","","2","P m a 2","P 2 -2a","28","","Tl F","","- F Tl -","- F Tl -","- F4 Tl4 -","4","1","","Alcock, N.W.","The crystal structure of thallous fluoride","Acta Crystallographica A (24,1968-38,1982)","1969","25","","S101","S101","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"3000001","7.8266","0.0003","13.5847","0.0005","15.6119","0.0006","90","","90","","90","","1659.89","0.11","293","","293","","","","","","","","","6","C m c a","-C 2ac 2","64","Di-μ-fluoro-bis[aqua-(dimethyl sulfoxide)-trifluorozirconium(IV)]","","","- C4 H16 F8 O4 S2 Zr2 -","- C4 H16 F8 O4 S2 Zr2 -","- C16 H64 F32 O16 S8 Zr8 -","4","","","Youping Gao; Armel Le Bail","Di-mu-fluoro-bis[aqua-(dimethyl sulfoxide)-trifluorozirconium(IV)]","Powder Diffraction","2010","25","","329","","10.1154/1.3499814","powder diffraction","","1.5418","CuKα","","","","","","","","","4.7283","23.6","","","","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4001713","27.282","0.0009","17.7669","0.0006","18.6716","0.0006","90","","96.77","0.003","90","","8987.3","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H42 N2 S4 Sn -","- C28 H42 N2 S4 Sn -","- C336 H504 N24 S48 Sn12 -","12","1.5","","Ramasamy, Karthik; Kuznetsov, Vladimir L.; Gopal, Kandasamy; Malik, Mohammad A.; Raftery, James; Edwards, Peter P.; O'Brien, Paul","Organotin Dithiocarbamates: Single-Source Precursors for Tin Sulfide Thin Films by Aerosol-Assisted Chemical Vapor Deposition (AACVD)","Chemistry of Materials","2013","25","3","266","276","10.1021/cm301660n","","","0.71073","MoKα","","0.0447","0.0339","","","0.0821","0.0857","","","","","","1.054","","","","has coordinates","218803","2020-10-21","18:00:00",""
"4001714","21.936","0.003","7.164","0.0012","21.873","0.002","90","","127.452","0.009","90","","2728.8","0.7","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H42 N2 S4 Sn -","- C20 H42 N2 S4 Sn -","- C80 H168 N8 S16 Sn4 -","4","0.5","","Ramasamy, Karthik; Kuznetsov, Vladimir L.; Gopal, Kandasamy; Malik, Mohammad A.; Raftery, James; Edwards, Peter P.; O'Brien, Paul","Organotin Dithiocarbamates: Single-Source Precursors for Tin Sulfide Thin Films by Aerosol-Assisted Chemical Vapor Deposition (AACVD)","Chemistry of Materials","2013","25","3","266","276","10.1021/cm301660n","","","0.71073","MoKα","","0.0715","0.0378","","","0.0601","0.0647","","","","","","0.763","","","","has coordinates","218803","2020-10-21","18:00:00",""
"4001715","20.345","0.005","9.597","0.005","34.35","0.005","90","0.005","91.27","0.005","90","0.005","6705","4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H51 N2 S4 Sn -","- C26 H54 N2 S4 Sn -","- C208 H432 N16 S32 Sn8 -","8","2","","Ramasamy, Karthik; Kuznetsov, Vladimir L.; Gopal, Kandasamy; Malik, Mohammad A.; Raftery, James; Edwards, Peter P.; O'Brien, Paul","Organotin Dithiocarbamates: Single-Source Precursors for Tin Sulfide Thin Films by Aerosol-Assisted Chemical Vapor Deposition (AACVD)","Chemistry of Materials","2013","25","3","266","276","10.1021/cm301660n","","","0.71073","MoKα","","0.0482","0.0318","","","0.0755","0.0927","","","","","","1.016","","","","has coordinates","218803","2020-10-21","18:00:00",""
"4001716","9.629","0.0019","9.9","0.002","12.559","0.003","74.57","0.03","84.4","0.03","62.82","0.03","1026.2","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H50 N2 O2 S4 -","- C48 H50 N2 O2 S4 -","- C48 H50 N2 O2 S4 -","1","0.5","","Cai, Zhengxu; Guo, Yunlong; Yang, Sifen; Peng, Qian; Luo, Hewei; Liu, Zitong; Zhang, Guanxin; Liu, Yunqi; Zhang, Deqing","New Donor‒Acceptor‒Donor Molecules with Pechmann Dye as the Core Moiety for Solution-Processed Good-Performance Organic Field-Effect Transistors","Chemistry of Materials","2013","25","3","471","","10.1021/cm303793g","","","0.71073","MoKα","","0.1088","0.0891","","","0.2173","0.2348","","","","","","1.112","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001717","9.5525","0.0019","9.7452","0.0019","12.66","0.003","73.02","0.03","83.17","0.03","63.39","0.03","1007.7","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H50 N2 O4 S2 -","- C48 H50 N2 O4 S2 -","- C48 H50 N2 O4 S2 -","1","0.5","","Cai, Zhengxu; Guo, Yunlong; Yang, Sifen; Peng, Qian; Luo, Hewei; Liu, Zitong; Zhang, Guanxin; Liu, Yunqi; Zhang, Deqing","New Donor‒Acceptor‒Donor Molecules with Pechmann Dye as the Core Moiety for Solution-Processed Good-Performance Organic Field-Effect Transistors","Chemistry of Materials","2013","25","3","471","","10.1021/cm303793g","","","0.71073","MoKα","","0.1126","0.0959","","","0.225","0.2393","","","","","","1.124","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001718","8.188","0.0008","7.676","0.0007","8.7944","0.0009","90","","110.57","0.008","90","","517.5","0.09","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- Al9 K O14 -","- Al9 K O14 -","- Al18 K2 O28 -","2","0.5","","Lazic, Biljana; Krüger, Hannes; Kaindl, Reinhard; Perfler, Lukas; Kremenović, Aleksandar; Cvetković, Vladica; Withers, Ray L.","Superstructure of Mullite-type KAl9O14","Chemistry of Materials","2013","25","3","496","","10.1021/cm3038476","","","0.71073","MoKα","","0.033","0.0296","","","0.0395","0.04","","","","2.94","2.94","2.83","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001754","11.751","0.002","6.8398","0.0012","18.669","0.003","90","","95.385","0.002","90","","1493.9","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H36 Co N4 O14 S2 -","- C22 H36 Co N4 O14 S2 -","- C44 H72 Co2 N8 O28 S4 -","2","0.5","","Fei, Honghan; Han, Cari S.; Robins, Jeremy C.; Oliver, Scott R. J.","A Cationic Metal‒Organic Solid Solution Based on Co(II) and Zn(II) for Chromate Trapping","Chemistry of Materials","2013","25","5","647","","10.1021/cm302585r","","","0.71073","MoKα","","0.072","0.0511","","","0.1292","0.1443","","","","","","1.018","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001755","11.7309","0.0015","6.8571","0.0009","18.701","0.002","90","","95.331","0.002","90","","1497.8","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 N2 O7 S Zn0.5 -","- C11 H18 N2 O7 S Zn0.5 -","- C44 H72 N8 O28 S4 Zn2 -","4","1","","Fei, Honghan; Han, Cari S.; Robins, Jeremy C.; Oliver, Scott R. J.","A Cationic Metal‒Organic Solid Solution Based on Co(II) and Zn(II) for Chromate Trapping","Chemistry of Materials","2013","25","5","647","","10.1021/cm302585r","","","0.71073","MoKα","","0.041","0.0334","","","0.0894","0.0952","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001756","16.666","0.002","16.666","0.002","7.0012","0.0014","90","","90","","120","","1684.1","0.4","173","2","173","2","","","","","","","","5","P -6 2 m","P -6 -2","189","","","","- C15 H16 N2 Ni O6 -","- C15 H15 N2 Ni O6 -","- C45 H45 N6 Ni3 O18 -","3","0.25","","Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo","Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks","Chemistry of Materials","2013","25","7","1047","","10.1021/cm303624p","","","0.71073","MoKα","","0.0975","0.0866","","","0.2182","0.2362","","","","","","1.081","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001757","16.586","0.005","16.586","0.005","18.124","0.007","90","","90","","120","","4318","2","173","2","173","2","","","","","","","","5","P 3","P 3","143","","","","- C31.67 H31.67 N4 Ni2 O12.67 -","- C31.6 H28.4 N4 Ni2 O12.6 -","- C94.8 H85.2 N12 Ni6 O37.8 -","3","1","","Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo","Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks","Chemistry of Materials","2013","25","7","1047","","10.1021/cm303624p","","","0.71073","MoKα","","0.2403","0.1172","","","0.2531","0.3168","","","","","","0.877","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001758","16.634","0.002","16.634","0.002","18.194","0.004","90","","90","","120","","4359.7","1.2","173","2","173","2","","","","","","","","5","P 3","P 3","143","","","","- C34 H28 N4 Ni2 O12 -","- C34 H26 N4 Ni2 O12 -","- C102 H78 N12 Ni6 O36 -","3","1","","Jeong, Seok; Kim, Dongwook; Song, Xiaokai; Choi, Min; Park, Noejung; Lah, Myoung Soo","Postsynthetic Exchanges of the Pillaring Ligand in Three-Dimensional Metal‒Organic Frameworks","Chemistry of Materials","2013","25","7","1047","","10.1021/cm303624p","","","0.71073","MoKα","","0.1403","0.0945","","","0.2337","0.27","","","","","","0.959","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001759","10.498797","0.000034","14.91631","0.00005","8.846944","0.000032","90","","106.057","0.0002","90","","1331.41","0.008","298","","298","","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C7 F N2 O24 Si12 -","- C7 F N2 O24 Si12 -","- C14 F2 N4 O48 Si24 -","2","0.5","","Rojas, Alex; San-Roman, María Luisa; Zicovich-Wilson, Claudio M.; Camblor, Miguel A.","Host‒Guest Stabilization of a Zeolite Strained Framework: In Situ Transformation of Zeolite MTW into the Less Dense and More Strained ITW","Chemistry of Materials","2013","25","5","729","","10.1021/cm303709e","powder diffraction","x-ray","1.55","","","","","","","","","0.06182","","2.13","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001760","9.5507","","9.5507","","7.0155","","90","","90","","120","","554.191","","100","","100","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.468 O26 Si6 -","- Nd9.468 O26 Si6 -","- Nd9.468 O26 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71069","MoKα","","0.0222","0.0213","","","0.058","0.0588","","","","1.83","1.83","1.82","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001761","9.5567","","9.5567","","7.0563","","90","","90","","120","","558.115","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al0.5 Nd9.772 O26 Si5.5 -","- Al0.4998 Nd9.772 O26 Si5.5002 -","- Al0.4998 Nd9.772 O26 Si5.5002 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71069","MoKα","","0.0483","0.047","","","0.1217","0.1222","","","","3.27","3.27","3.22","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001762","9.5537","","9.5537","","7.0528","","90","","90","","120","","557.488","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al Nd9.782 O26 Si5 -","- Al1.0002 Nd9.78 O26 Si4.9998 -","- Al1.0002 Nd9.78 O26 Si4.9998 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71069","MoKα","","0.0372","0.0364","","","0.107","0.1072","","","","3.22","3.22","3.2","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001763","9.5604","","9.5604","","7.0622","","90","","90","","120","","559.014","","100","","100","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al1.5 Nd9.924 O26 Si4.5 -","- Al1.5 Nd9.924 O26 Si4.5 -","- Al1.5 Nd9.924 O26 Si4.5 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71069","MoKα","","0.0276","0.0272","","","0.0873","0.0875","","","","3.05","3.05","3.04","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001764","9.5567","0.0001","9.5567","0.0001","7.0189","0.0001","90","","90","","120","","555.157","0.011","293","","293","","","","","","","","","3","P 63/m","-P 6c","176","","","","- Nd9.348 O26 Si6 -","- Nd9.348 O26 Si6 -","- Nd9.348 O26 Si6 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71073","MoKα","","0.0259","0.0253","","","0.0699","0.0702","","","","1.87","1.87","1.86","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001765","9.5516","0.0002","9.5516","0.0002","7.0288","0.0002","90","","90","","120","","555.35","0.02","293","","293","","","","","","","","","4","P 63/m","-P 6c","176","","","","- Al0.5 Nd9.508 O26 Si5.5 -","- Al0.5004 Nd9.508 O26 Si5.4996 -","- Al0.5004 Nd9.508 O26 Si5.4996 -","1","0.0833333","","An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J.","Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes","Chemistry of Materials","2013","25","7","1109","","10.1021/cm4000685","","","0.71073","MoKα","","0.0233","0.0221","","","0.0703","0.0707","","","","2.32","2.32","2.3","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001766","8.771","0.009","15.632","0.017","17.623","0.02","71.72","0.02","86.96","0.02","86.73","0.03","2289","4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H27 Cl14 Fe -","- C39 H27 Cl14 Fe -","- C78 H54 Cl28 Fe2 -","2","1","","Guasch, Judith; Grisanti, Luca; Jung, Stefan; Morales, Dayana; D’Avino, Gabriele; Souto, Manuel; Fontrodona, Xavier; Painelli, Anna; Renz, Franz; Ratera, Imma; Veciana, Jaume","Bistability of Fc-PTM-Based Dyads: The Role of the Donor Strength","Chemistry of Materials","2013","25","5","808","","10.1021/cm400147p","","","0.71073","MoKα","","0.33","0.1698","","","0.3785","0.4274","","","","","","0.997","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001767","8.33406","0.00004","8.33406","0.00004","8.33406","0.00004","90","","90","","90","","578.855","0.005","293","","293","","","","","","","","","3","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga2 O4 Zn -","- Ga2 O4 Zn -","- Ga16 O32 Zn8 -","8","0.0416667","","Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck","Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4","Chemistry of Materials","2013","25","9","1600","","10.1021/cm304101n","powder diffraction","neutron","1.2252","","","0.0094","0.0094","","0.0172","0.0172","","","","2.23","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001768","8.33665","0.00005","8.33665","0.00005","8.33665","0.00005","90","","90","","90","","579.395","0.006","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga1.8 Ge0.1 O4 Zn1.1 -","- Ga1.8 Ge0.1 O4 Zn1.1 -","- Ga14.4 Ge0.8 O32 Zn8.8 -","8","0.0416667","","Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck","Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4","Chemistry of Materials","2013","25","9","1600","","10.1021/cm304101n","powder diffraction","neutron","1.2255","","","0.0149","0.0149","","0.0246","0.0245","","","","3.02","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001769","8.34115","0.00004","8.34115","0.00004","8.34115","0.00004","90","","90","","90","","580.334","0.005","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga1.5 Ge0.25 O4 Zn1.25 -","- Ga1.4999 Ge0.251 O4 Zn1.25 -","- Ga11.9992 Ge2.008 O32 Zn10 -","8","0.0416667","","Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck","Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4","Chemistry of Materials","2013","25","9","1600","","10.1021/cm304101n","powder diffraction","neutron","1.2252","","","0.0101","0.0101","","0.0189","0.0189","","","","2.33","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001770","8.35049","0.00006","8.35049","0.00006","8.35049","0.00006","90","","90","","90","","582.285","0.007","293","","293","","","","","","","","","4","F d -3 m :2","-F 4vw 2vw 3","227","","","","- Ga Ge0.5 O4 Zn1.5 -","- Ga Ge0.5 O4 Zn1.5 -","- Ga8 Ge4 O32 Zn12 -","8","0.0416667","","Allix, Mathieu; Chenu, Sébastien; Véron, Emmanuel; Poumeyrol, Thomas; Kouadri-Boudjelthia, El Amin; Alahraché, Salaheddine; Porcher, Florence; Massiot, Dominique; Fayon, Franck","Considerable Improvement of Long-Persistent Luminescence in Germanium and Tin Substituted ZnGa2O4","Chemistry of Materials","2013","25","9","1600","","10.1021/cm304101n","powder diffraction","neutron","1.2252","","","0.0108","0.0108","","0.0185","0.0185","","","","2.94","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001771","11.5128","0.0002","11.5128","0.0002","8.9087","0.0002","90","","90","","90","","1180.8","0.04","298","2","298","2","","","","","","","","5","I 41/a m d :2","-I 4bd 2","141","","","","- C4 H8 Dy K O12 -","- C4 H8 Dy K O12 -","- C16 H32 Dy4 K4 O48 -","4","0.125","","Mohapatra, Sudip; Rajeswaran, Bharath; Chakraborty, Anindita; Sundaresan, A.; Maji, Tapas Kumar","Bimodal Magneto-Luminescent Dysprosium (DyIII)-Potassium (KI)-Oxalate Framework: Magnetic Switchability with High Anisotropic Barrier and Solvent Sensing","Chemistry of Materials","2013","25","9","1673","","10.1021/cm400116h","","","0.71073","MoKα","","0.0205","0.0193","","","0.0405","0.0415","","","","","","1.16","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001772","13.0357","0.0007","13.035","0.0007","9.16771","0.00019","90","","90","","90","","1557.78","0.12","298","","","","","","","","","","","4","P c c 2","P 2 -2c","27","","","","- Al6 Ca4 O16 S -","- Al6 Ca4 O16 S -","- Al24 Ca16 O64 S4 -","4","1","","Cuesta, Ana; De la Torre, Angeles G.; Losilla, Enrique R.; Peterson, Vanessa K.; Rejmak, Pawel; Ayuela, Andrés; Frontera, Carlos; Aranda, Miguel A. G.","Structure, Atomistic Simulations, and Phase Transition of Stoichiometric Yeelimite","Chemistry of Materials","2013","25","9","1680","","10.1021/cm400129z","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","250899","2020-10-21","18:00:00",""
"4001773","6.4351","0.0018","13.119","0.004","14.261","0.005","83.81","0.02","88.486","0.017","83.745","0.016","1189.7","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,3-bis(tert-butyltelluro)propane-bis(trichlorogallium(III))","","- C11 H24 Cl6 Ga2 Te2 -","- C11 H24 Cl6 Ga2 Te2 -","- C22 H48 Cl12 Ga4 Te4 -","2","1","","George, Kathryn; de Groot, C. H. (Kees); Gurnani, Chitra; Hector, Andrew L.; Huang, Ruomeng; Jura, Marek; Levason, William; Reid, Gillian","Telluroether and Selenoether Complexes as Single Source Reagents for Low Pressure Chemical Vapor Deposition of Crystalline Ga2Te3and Ga2Se3Thin Films","Chemistry of Materials","2013","25","9","1829","","10.1021/cm400382j","","","0.71073","MoKα","","0.0946","0.0697","","","0.0983","0.1084","","","","","","1.138","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001774","18.6563","0.0002","18.6563","0.0002","18.6563","0.0002","90","","90","","90","","6493.47","0.12","123","2","123","2","","","","","","","","2","F -4 3 m","F -4 2 3","216","Lithium Silicide","","","- Li17 Si4 -","- Li17 Si4 -","- Li340 Si80 -","20","0.208333","","Zeilinger, Michael; Benson, Daryn; Häussermann, Ulrich; Fässler, Thomas F.","Single Crystal Growth and Thermodynamic Stability of Li17Si4","Chemistry of Materials","2013","25","9","1960","","10.1021/cm400612k","","","0.71073","MoKα","","0.0284","0.0207","","","0.0352","0.0369","","","","","","1.061","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001775","18.7353","0.0003","18.7353","0.0003","18.7353","0.0003","90","","90","","90","","6576.31","0.18","298","2","298","2","","","","","","","","2","F -4 3 m","F -4 2 3","216","Lithium Silicide","","","- Li17 Si4 -","- Li17 Si4 -","- Li340 Si80 -","20","0.208333","","Zeilinger, Michael; Benson, Daryn; Häussermann, Ulrich; Fässler, Thomas F.","Single Crystal Growth and Thermodynamic Stability of Li17Si4","Chemistry of Materials","2013","25","9","1960","","10.1021/cm400612k","","","0.71073","MoKα","","0.0205","0.0203","","","0.0549","0.055","","","","","","1.255","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001776","11.708","0.002","11.712","0.002","23.051","0.005","90","","97.28","0.03","90","","3135.4","1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cd2 Cs2 In2 Se6 -","- Cd2 Cs2 In2 Se6 -","- Cd16 Cs16 In16 Se48 -","8","1","","Li, Hao; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Jin, Hosub; Morris, Collin D.; Zhao, Li-Dong; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.","CsCdInQ3(Q = Se, Te): New Photoconductive Compounds As Potential Materials for Hard Radiation Detection","Chemistry of Materials","2013","25","10","2089","","10.1021/cm400634v","","","0.71073","MoKα","","0.0903","0.0496","","","0.0777","0.0882","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001777","12.523","0.003","12.517","0.003","24.441","0.005","90","","97.38","0.03","90","","3799.4","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- Cd2 Cs2 In2 Te6 -","- Cd2 Cs2 In2 Te6 -","- Cd16 Cs16 In16 Te48 -","8","1","","Li, Hao; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Jin, Hosub; Morris, Collin D.; Zhao, Li-Dong; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.","CsCdInQ3(Q = Se, Te): New Photoconductive Compounds As Potential Materials for Hard Radiation Detection","Chemistry of Materials","2013","25","10","2089","","10.1021/cm400634v","","","0.71073","MoKα","","0.0762","0.0434","","","0.0991","0.1105","","","","","","0.986","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001778","3.6749","0.0004","3.6749","0.0004","16.827","0.004","90","","90","","120","","196.8","0.06","293","","293","","","","","","","","","4","P 63/m m c","-P 6c 2c","194","","","","- K1.316 Mg0.658 S4 Sn1.342 -","- K1.32 Mg0.66 S4 Sn1.34 -","- K1.32 Mg0.66 S4 Sn1.34 -","1","0.0416667","","Mertz, Joshua L.; Fard, Zohreh Hassanzadeh; Malliakas, Christos D.; Manos, Manolis J.; Kanatzidis, Mercouri G.","Selective Removal of Cs+, Sr2+, and Ni2+by K2xMgxSn3‒xS6(x= 0.5‒1) (KMS-2) Relevant to Nuclear Waste Remediation","Chemistry of Materials","2013","25","10","2116","","10.1021/cm400699r","","","0.4428","synchrotron","","0.0557","0.0437","","","0.1198","0.123","","","","2.51","2.51","2.4","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001779","9.7094","0.0001","9.7094","0.0001","7.1816","0.0001","90","","90","","120","","586.323","0.012","293","","293","","","","","","","","","3","P 63/m","-P 6c","176","","","","- La9.5 O26 Si5.87 -","- La9.5024 O26 Si5.8728 -","- La9.5024 O26 Si5.8728 -","1","0.0833333","","Fukuda, Koichiro; Asaka, Toru; Hara, Shinji; Oyabu, Masayuki; Berghout, Abid; Béchade, Emilie; Masson, Olivier; Julien, Isabelle; Thomas, Philippe","Crystal Structure and Oxide-Ion Conductivity alongc-Axis of Si-Deficient Apatite-Type Lanthanum Silicate","Chemistry of Materials","2013","25","10","2154","","10.1021/cm400892p","","","0.71073","MoKα","","0.0267","0.0156","","","0.0173","0.0185","","","","1.04","1.04","0.98","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001780","12.132","0.0002","6.0606","0.0001","8.0956","0.0001","90","","90","","90","","595.247","0.016","","","","","","","","","","","","4","P b 21 m","P -2 -2b","26","","","","- Ba2 Fe O5.5 Y -","- Ba2 Fe O5.5 Y -","- Ba8 Fe4 O22 Y4 -","4","1","","Luo, Kun; Johnson, Roger D.; Tran, Thao T.; Halasyamani, P. Shiv; Radaelli, Paolo G.; Hayward, Michael A.","Ba2YFeO5.5: A Ferromagnetic Pyroelectric Phase Prepared by Topochemical Oxidation.","Chemistry of Materials","2013","25","9","1800","","10.1021/cm400364y","","","","","","","","","","","","","","","","","","","","","has coordinates","176427","2020-10-21","18:00:00",""
"4001781","14.931","0.003","8.2217","0.0016","6.5989","0.0013","90","","90","","90","","810.1","0.3","173","2","173","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Li4 Se4 Sn -","- Li4 Se4 Sn -","- Li16 Se16 Sn4 -","4","0.5","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0517","0.049","","","0.1367","0.139","","","","","","1.13","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001782","12.522","0.003","7.2137","0.0014","7.7692","0.0016","90","","120.96","0.03","90","","601.8","0.3","173","2","173","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- Li2 Se3 Sn -","- Li2 Se3 Sn -","- Li8 Se12 Sn4 -","4","1","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0623","0.0623","","","0.1634","0.1634","","","","","","1.117","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001783","12.84","0.003","12.93","0.003","13.274","0.003","90","","90","","90","","2203.8","0.9","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Li4 O13 Se4 Sn -","- Li4 O13 Se4 Sn -","- Li16 O52 Se16 Sn4 -","4","1","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0593","0.054","","","0.0882","0.0893","","","","","","1.331","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001784","7.2602","0.0015","9.5887","0.0019","10.496","0.002","77.46","0.03","71.1","0.03","74","0.03","657.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- H28 Li4 O14 Se6 Sn2 -","- H28 Li4 O14 Se6 Sn2 -","- H28 Li4 O14 Se6 Sn2 -","1","0.5","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0234","0.0213","","","0.0527","0.0536","","","","","","1.035","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001785","13.73","0.0019","13.73","0.0019","11.9","0.002","90","","90","","90","","2243.3","0.6","193","2","193","2","","","","","","","","6","I -4","I -4","82","","","","- C16 H62 Li4 O16 Se4 Sn -","- C16 H64 Li4 O16 Se4 Sn -","- C32 H128 Li8 O32 Se8 Sn2 -","2","0.25","","Kaib, Thomas; Bron, Philipp; Haddadpour, Sima; Mayrhofer, Leonhard; Pastewka, Lars; Järvi, Tommi T.; Moseler, Michael; Roling, Bernhard; Dehnen, Stefanie","Lithium Chalcogenidotetrelates: LiChT—Synthesis and Characterization of New Li+Ion Conducting Li/Sn/Se Compounds","Chemistry of Materials","2013","25","15","2961","","10.1021/cm400541n","","","0.71073","MoKα","","0.0383","0.0347","","","0.0846","0.086","","","","","","1.003","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001786","8.98593","0.00011","6.73577","0.00005","5.15998","0.00004","90","","90.1225","0.0012","90","","312.318","0.005","300","","300","","","","","","","","synthetic","5","P 1 21/m 1","-P 2yb","11","sidorenkite","","","- C Mn Na3 O7 P -","- C Mn Na3 O7 P -","- C2 Mn2 Na6 O14 P2 -","2","0.5","","Chen, Hailong; Hao, Qing; Zivkovic, Olivera; Hautier, Geoffroy; Du, Lin-Shu; Tang, Yuanzhi; Hu, Yan-Yan; Ma, Xiaohua; Grey, Clare P.; Ceder, Gerbrand","Sidorenkite (Na3MnPO4CO3): A New Intercalation Cathode Material for Na-Ion Batteries","Chemistry of Materials","2013","25","14","2777","","10.1021/cm400805q","powder diffraction","","0.775192","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001787","18.4852","0.0005","18.4852","0.0005","18.4852","0.0005","90","","90","","90","","6316.4","0.3","296","2","296","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C41 H12 Cl Cu Mn7 N48 O5 -","- C36 H12 Cl1.5 Cu6.12 Mn0.6 N48 O6 -","- C72 H24 Cl3 Cu12.24 Mn1.2 N96 O12 -","2","0.0416667","","Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea","Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion","Chemistry of Materials","2013","25","15","2998","","10.1021/cm400858d","","","0.71073","MoKα","","0.1441","0.1291","","","0.3587","0.4042","","","","","","1.883","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001788","19.0218","0.0005","19.0218","0.0005","19.0218","0.0005","90","","90","","90","","6882.6","0.3","296","2","296","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C41 H12 Cl Fe Mn7 N48 O5 -","- C18 H6 Cl0.75 Fe0.09 Mn2.91 N24 O3 -","- C72 H24 Cl3 Fe0.36 Mn11.64 N96 O12 -","4","0.0833333","","Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea","Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion","Chemistry of Materials","2013","25","15","2998","","10.1021/cm400858d","","","0.7749","","","0.1485","0.1384","","","0.3635","0.3865","","","","","","3.309","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001789","18.9153","0.0005","18.9153","0.0005","18.9153","0.0005","90","","90","","90","","6767.7","0.3","296","2","296","2","","","","","","","","6","P m -3 m","-P 4 2 3","221","","","","- C41 H12 Cl Mn7 N48 O5 -","- C36 H12 Cl1.5 Mn6.882 N48 O6 -","- C72 H24 Cl3 Mn13.764 N96 O12 -","2","0.0416667","","Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea","Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion","Chemistry of Materials","2013","25","15","2998","","10.1021/cm400858d","","","0.7749","","","0.1676","0.1551","","","0.3978","0.428","","","","","","1.912","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001790","18.8285","0.0004","18.8285","0.0004","18.8285","0.0004","90","","90","","90","","6674.9","0.2","296","2","296","2","","","","","","","","7","P m -3 m","-P 4 2 3","221","","","","- C41 H12 Cl Mn7 N48 O5 Zn -","- C18 H6 Cl0.75 Mn0.75 N24 O3 Zn2.61 -","- C72 H24 Cl3 Mn3 N96 O12 Zn10.44 -","4","0.0833333","","Brozek, Carl K.; Cozzolino, Anthony F.; Teat, Simon J.; Chen, Yu-Sheng; Dincă, Mircea","Quantification of Site-Specific Cation Exchange in Metal‒Organic Frameworks Using Multi-Wavelength Anomalous X-ray Dispersion","Chemistry of Materials","2013","25","15","2998","","10.1021/cm400858d","","","0.71073","MoKα","","0.2086","0.1991","","","0.494","0.5026","","","","","","4.488","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001791","12.32","0.01","12.32","0.01","3.907","0.001","90","","90","","90","","593","0.7","293","2","293","2","","","","","","","","4","P 4/m b m","-P 4 2ab","127","","","","- K5.06 Nb4.724 O30 Ta6.264 -","- K5.06 Nb4.724 O30 Ta6.264 -","- K5.06 Nb4.724 O30 Ta6.264 -","1","0.0625","","Simon, Q.; Dorcet, V.; Boullay, P.; Demange, V.; Députier, S.; Bouquet, V.; Guilloux-Viry, M.","Nanorods of Potassium Tantalum Niobate Tetragonal Tungsten Bronze Phase Grown by Pulsed Laser Deposition","Chemistry of Materials","2013","25","14","2793","","10.1021/cm401018k","","","0.0196","electron","","0.2851","0.2849","","","0.3203","0.3203","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001792","9.1758","0.0013","9.1758","0.0013","9.5879","0.0019","90","","90","","90","","807.3","0.2","293","2","293","2","","","","","","","","3","P 4/m n c","-P 4 2n","128","","","","- I4 S Tl6 -","- I4 S Tl6 -","- I8 S2 Tl12 -","2","0.125","","Nguyen, Sandy L.; Malliakas, Christos D.; Peters, John A.; Liu, Zhifu; Im, Jino; Zhao, Li-Dong; Sebastian, Maria; Jin, Hosub; Li, Hao; Johnsen, Simon; Wessels, Bruce W.; Freeman, Arthur J.; Kanatzidis, Mercouri G.","Photoconductivity in Tl6SI4: A Novel Semiconductor for Hard Radiation Detection","Chemistry of Materials","2013","25","14","2868","","10.1021/cm401406j","","","0.71073","MoKα","","0.0584","0.048","","","0.0891","0.0912","","","","","","1.388","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001793","8.007","0.003","15.91","0.005","13.916","0.005","90","","101.318","0.004","90","","1738.3","1.1","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C3 F Lu Na4 O8 -","- C3 F Lu Na4 O9 -","- C24 F8 Lu8 Na32 O72 -","8","2","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0201","0.019","","","0.0367","0.0371","","","","","","1.008","","","","has coordinates","183806","2020-10-21","18:00:00",""
"4001794","7.073","0.006","29.77","0.02","6.909","0.007","90","","111.924","0.015","90","","1350","2","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C2 F2 Lu Na3 O6 -","- C2 F2 Lu Na3 O6 -","- C16 F16 Lu8 Na24 O48 -","8","2","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0439","0.0355","","","0.0967","0.1054","","","","","","1.074","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001795","7.5879","0.0003","7.5879","0.0003","11.5313","0.0009","90","","90","","90","","663.93","0.06","293","2","293","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- C4 H4 Lu Na5 O14 -","- C4 H4 Lu Na5 O14 -","- C8 H8 Lu2 Na10 O28 -","2","0.25","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0145","0.0139","","","0.0307","0.0309","","","","","","1.302","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001796","17.534","0.004","6.1084","0.0014","11.285","0.003","90","","95.429","0.016","90","","1203.3","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C2 F Lu Na2 O6 -","- C2 F Lu Na2 O6 -","- C16 F8 Lu8 Na16 O48 -","8","1","","Luo, Min; Ye, Ning; Zou, Guohong; Lin, Chensheng; Cheng, Wendan","Na8Lu2(CO3)6F2and Na3Lu(CO3)2F2: Rare Earth Fluoride Carbonates as Deep-UV Nonlinear Optical Materials","Chemistry of Materials","2013","25","15","3147","","10.1021/cm4023369","","","0.71073","MoKα","","0.0305","0.0259","","","0.0655","0.0928","","","","","","1.118","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001797","38.3106","","7.72437","","38.2799","","90","","90","","90","","11328","","","","","","","","","","","","","4","P 1 m 1","P -2y","6","","","","- Li25 Nd125 O600 Ti200 -","- Li25 Nd125 O600 Ti200 -","- Li25 Nd125 O600 Ti200 -","1","0.5","","Abakumov, Artem M.; Erni, Rolf; Tsirlin, Alexander A.; Rossell, Marta D.; Batuk, Dmitry; Nénert, Gwilherm; Van Tendeloo, Gustaaf","Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3‒xTiO3 Perovskites","Chemistry of Materials","2013","25","13","2670","2683","10.1021/cm4012052","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001798","38.3106","","38.279869","","7.724372","","90","","90","","90","","11328","","","","","","","","","","","","","4","P 2 m m","P -2 2","25","","","","- Li25 Nd125 O600 Ti200 -","- Li25 Nd125 O600 Ti200 -","- Li25 Nd125 O600 Ti200 -","1","0.25","","Abakumov, Artem M.; Erni, Rolf; Tsirlin, Alexander A.; Rossell, Marta D.; Batuk, Dmitry; Nénert, Gwilherm; Van Tendeloo, Gustaaf","Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3‒xTiO3 Perovskites","Chemistry of Materials","2013","25","13","2670","2683","10.1021/cm4012052","","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001799","12.0872","0.0007","24.8979","0.0008","21.0015","0.001","90","","90","","90","","6320.3","0.5","293","","295","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- Ba4 Nb2 O9 -","- Ba4 Nb2 O9 -","- Ba96 Nb48 O216 -","24","6","","Dunstan, Matthew T.; Blanc, Frédéric; Avdeev, Maxim; McIntyre, Garry J.; Grey, Clare P.; Ling, Chris D.","Long-Range-Ordered Coexistence of 4-, 5-, and 6-Coordinate Niobium in the Mixed Ionic-Electronic Conductor γ-Ba4Nb2O9","Chemistry of Materials","2013","25","15","3154","","10.1021/cm4014656","","neutron","1.2467","Neutron","","0.0822","0.0669","","","0.0683","0.0696","","","","3.75","3.75","3.48","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4001800","25.9981","","26.2767","","26.5511","","90","","90","","90","","18138.2","","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C288 H192 Cu48 I108.75 O240 -","- C288 H192 Cu48 I108.75 O240 -","- C288 H192 Cu48 I108.75 O240 -","1","1","","Sava, Dorina F.; Chapman, Karena W.; Rodriguez, Mark A.; Greathouse, Jeffery A.; Crozier, Paul S.; Zhao, Haiyan; Chupas, Peter J.; Nenoff, Tina M.","Competitive I2Sorption by Cu-BTC from Humid Gas Streams","Chemistry of Materials","2013","25","13","2591","","10.1021/cm401762g","","","0.2128","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001801","3.831048","0.000005","3.827977","0.000004","7.724355","0.000008","90","","90","","90","","113.279","0.0002","293","","293","","","","","","","","","4","Pmmm(\a,1/2,0)000(1/2,\b,0)000","","","","","","- Li0.15 Nd0.617 O3 Ti -","","","2","","","Abakumov, Artem M.; Erni, Rolf; Tsirlin, Alexander A.; Rossell, Marta D.; Batuk, Dmitry; Nénert, Gwilherm; Van Tendeloo, Gustaaf","Frustrated Octahedral Tilting Distortion in the Incommensurately Modulated Li3xNd2/3‒xTiO3 Perovskites","Chemistry of Materials","2013","25","13","2670","2683","10.1021/cm4012052","powder diffraction","x-ray","0.3962","","","0.0517","0.045","","0.0235","0.0232","","","","2.02","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001802","6.44903","0.00005","9.48247","0.00008","10.99331","0.00008","64.8468","0.0004","86.2397","0.0005","73.1333","0.0005","581.05","0.008","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Fe2 Na4 O14 P4 -","- Fe2 Na4 O14 P4 -","- Fe4 Na7.99999 O28 P8 -","2","1","","Barpanda, Prabeer; Liu, Guandong; Ling, Chris D.; Tamaru, Mao; Avdeev, Maxim; Chung, Sai-Cheong; Yamada, Yuki; Yamada, Atsuo","Na2FeP2O7: A Safe Cathode for Rechargeable Sodium-ion Batteries","Chemistry of Materials","2013","25","17","3480","","10.1021/cm401657c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001803","6.3297","0.0013","9.4646","0.0019","11.1","0.0023","62.6109","0.0006","83.29","0.0007","72.2418","0.0007","562.1","0.2","","","","","","","","","","","","4","P -1","-P 1","2","","","","- Fe4 Na4 O28 P8 -","- Fe4 Na4 O28 P8 -","- Fe4 Na4 O28 P8 -","1","0.5","","Barpanda, Prabeer; Liu, Guandong; Ling, Chris D.; Tamaru, Mao; Avdeev, Maxim; Chung, Sai-Cheong; Yamada, Yuki; Yamada, Atsuo","Na2FeP2O7: A Safe Cathode for Rechargeable Sodium-ion Batteries","Chemistry of Materials","2013","25","17","3480","","10.1021/cm401657c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001804","8.9903","0.0008","6.8681","0.0006","5.0441","0.0005","90","","90","","90","","311.45","0.05","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Na O4 P -","- Fe Na O4 P -","- Fe4 Na4 O16 P4 -","4","0.5","","Barpanda, Prabeer; Liu, Guandong; Ling, Chris D.; Tamaru, Mao; Avdeev, Maxim; Chung, Sai-Cheong; Yamada, Yuki; Yamada, Atsuo","Na2FeP2O7: A Safe Cathode for Rechargeable Sodium-ion Batteries","Chemistry of Materials","2013","25","17","3480","","10.1021/cm401657c","powder diffraction","","","","","","","","","","","","","","","","","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001805","7.6635","0.0002","12.7242","0.0005","17.7724","0.0006","90","","90","","90","","1733.02","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Ge3 Mg Se8 -","- Cs2 Ge3 Mg Se8 -","- Cs8 Ge12 Mg4 Se32 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0719","0.0467","","","0.0771","0.0837","","","","","","1.026","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001806","7.2624","0.0004","16.9801","0.0009","12.6231","0.0008","90","","97.706","0.005","90","","1542.58","0.15","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- Cs2 Ge3 S8 Zn -","- Cs2 Ge3 S8 Zn -","- Cs8 Ge12 S32 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0514","0.0428","","","0.1044","0.1085","","","","","","1.059","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001807","7.5756","0.0005","12.6191","0.001","17.6543","0.0011","90","","90","","90","","1687.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Ge3 Se8 Zn -","- Cs2 Ge3 Se8 Zn -","- Cs8 Ge12 Se32 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.119","0.088","","","0.2048","0.2238","","","","","","1.077","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001808","8.1345","0.0006","13.1145","0.0013","18.8263","0.0019","90","","90","","90","","2008.4","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Ge3 Te8 Zn -","- Cs2 Ge3 Te8 Zn -","- Cs8 Ge12 Te32 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.1023","0.0614","","","0.1505","0.1711","","","","","","0.9","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001809","7.4192","0.0002","12.5099","0.0004","17.0843","0.0006","90","","90","","90","","1585.65","0.09","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd Cs2 Ge3 S8 -","- Cd Cs2 Ge3 S8 -","- Cd4 Cs8 Ge12 S32 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0415","0.0318","","","0.0529","0.0551","","","","","","1.082","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001810","7.7048","0.0003","12.6822","0.0006","17.8208","0.0007","90","","90","","90","","1741.34","0.13","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd Cs2 Ge3 Se8 -","- Cd Cs2 Ge3 Se8 -","- Cd4 Cs8 Ge12 Se32 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0622","0.0502","","","0.1045","0.1088","","","","","","1.053","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001811","7.9055","0.0003","12.7661","0.0005","18.474","0.0006","90","","90","","90","","1864.44","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Mg Se8 Sn3 -","- Cs2 Mg Se8 Sn3 -","- Cs8 Mg4 Se32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0643","0.0489","","","0.0991","0.104","","","","","","1.041","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001812","7.8146","0.0003","12.6534","0.0004","18.3747","0.0005","90","","90","","90","","1816.91","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Se8 Sn3 Zn -","- Cs2 Se8 Sn3 Zn -","- Cs8 Se32 Sn12 Zn4 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0631","0.047","","","0.0901","0.0959","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001813","7.9335","0.0004","12.7336","0.0009","18.5387","0.001","90","","90","","90","","1872.82","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cd Cs2 Se8 Sn3 -","- Cd Cs2 Se8 Sn3 -","- Cd4 Cs8 Se32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0857","0.0621","","","0.1267","0.137","","","","","","1.064","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001814","7.6672","0.0004","12.3405","0.001","17.9011","0.0012","90","","90","","90","","1693.7","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Hg S8 Sn3 -","- Cs2 Hg S8 Sn3 -","- Cs8 Hg4 S32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0928","0.0844","","","0.1996","0.2075","","","","","","1.088","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001815","7.9196","0.0003","12.6657","0.0007","18.5375","0.0009","90","","90","","90","","1859.45","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- Cs2 Hg Se8 Sn3 -","- Cs2 Hg Se8 Sn3 -","- Cs8 Hg4 Se32 Sn12 -","4","1","","Morris, Collin D.; Li, Hao; Jin, Hosub; Malliakas, Christos D.; Peters, John A.; Trikalitis, Pantelis N.; Freeman, Arthur J.; Wessels, Bruce W.; Kanatzidis, Mercouri G.","Cs2MIIMIV3Q8(Q = S, Se, Te): An Extensive Family of Layered Semiconductors with Diverse Band Gaps","Chemistry of Materials","2013","25","16","3344","","10.1021/cm401817r","","","0.71073","MoKα","","0.0649","0.0498","","","0.1047","0.1122","","","","","","1.049","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001816","13.527","0.004","13.527","0.004","4.1422","0.0012","90","","90","","90","","757.9","0.4","298","2","298","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Al3.75 Dy3 Fe Mg0.25 Si2 -","- Al3.75 Dy2.976 Fe Mg0.25 Si2 -","- Al15 Dy11.904 Fe4 Mg Si8 -","4","0.25","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.0155","0.0131","","","0.022","0.0223","","","","","","1.079","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001817","13.562","0.004","13.562","0.004","4.1201","0.0013","90","","90","","90","","757.8","0.4","298","2","298","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Al3.5 Er3 Fe Ge2 Mg0.5 -","- Al3.5 Er2.9648 Fe Ge2 Mg0.5 -","- Al14 Er11.8592 Fe4 Ge8 Mg2 -","4","0.25","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.0156","0.0152","","","0.0292","0.0293","","","","","","1.23","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001818","13.6799","0.0011","13.6799","0.0011","4.1507","0.0003","90","","90","","90","","776.76","0.1","296","2","296","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Al3.5 Fe Ge2 Mg0.5 Y3 -","- Al3.5 Fe Ge2 Mg0.5 Y2.9788 -","- Al14 Fe4 Ge8 Mg2 Y11.9152 -","4","0.25","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.0231","0.0187","","","0.0393","0.0405","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001819","13.3479","0.0009","13.3479","0.0009","4.0996","0.0003","90","","90","","90","","730.41","0.09","296","2","296","2","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- Al3.72 Fe Mg0.28 Si2 Yb2.77 -","- Al3.5 Fe Mg0.5 Si2 Yb2.714 -","- Al14 Fe4 Mg2 Si8 Yb10.856 -","4","0.25","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.0182","0.0172","","","0.0385","0.0388","","","","","","1.175","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001820","11.433","0.008","11.433","0.008","4.04","0.003","90","","90","","90","","528.1","0.7","296","2","296","2","","","","","","","","4","P 4/m m m","-P 4 2","123","","","","- Al17 Fe4 Si6 Yb5 -","- Al17 Fe4 Si6 Yb5 -","- Al17 Fe4 Si6 Yb5 -","1","0.0625","","Ma, Xiaowei; Whalen, Jeffrey B.; Cao, Huibo; Latturner, Susan E.","Competing Phases, Complex Structure, and Complementary Diffraction Studies of R3-δFeAl4-xMgxTt2Intermetallics (R = Y, Dy, Er, Yb; Tt = Si or Ge;x< 0.5)","Chemistry of Materials","2013","25","16","3363","","10.1021/cm401976s","","","0.71073","MoKα","","0.019","0.017","","","0.0378","0.0383","","","","","","1.159","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001821","7.1634","0.0005","7.3956","0.0005","19.2069","0.0012","93.698","0.004","90.474","0.004","105.266","0.004","979.25","0.11","100","2","100.03","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H48 B10 N4 O12 -","- C30 H48 B10 N4 O12 -","- C30 H48 B10 N4 O12 -","1","0.5","","Kennedy, Robert D.; Krungleviciute, Vaiva; Clingerman, Daniel J.; Mondloch, Joseph E.; Peng, Yang; Wilmer, Christopher E.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Mirkin, Chad A.","Carborane-Based Metal‒Organic Framework with High Methane and Hydrogen Storage Capacities","Chemistry of Materials","2013","25","17","3539","","10.1021/cm4020942","","","0.71073","MoKα","","0.0982","0.052","","","0.1294","0.1451","","","","","","0.955","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001822","7.0603","0.0003","10.4871","0.0005","10.8766","0.0005","111.528","0.003","93.925","0.003","103.985","0.003","715.84","0.06","100","2","100.04","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H36 B10 O8 -","- C26 H36 B10 O8 -","- C26 H36 B10 O8 -","1","0.5","","Kennedy, Robert D.; Krungleviciute, Vaiva; Clingerman, Daniel J.; Mondloch, Joseph E.; Peng, Yang; Wilmer, Christopher E.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Mirkin, Chad A.","Carborane-Based Metal‒Organic Framework with High Methane and Hydrogen Storage Capacities","Chemistry of Materials","2013","25","17","3539","","10.1021/cm4020942","","","0.71073","MoKα","","0.0577","0.0484","","","0.1329","0.1415","","","","","","1.032","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001823","18.6953","0.0007","18.6953","0.0007","39.1379","0.0017","90","","90","","120","","11846.6","0.8","100","2","100.02","","","","","","","","","5","R -3 m","-R 3 2""","166","","","","- C9 H10 B5 Cu O5 -","- C9 H10 B5 Cu O5 -","- C162 H180 B90 Cu18 O90 -","18","","","Kennedy, Robert D.; Krungleviciute, Vaiva; Clingerman, Daniel J.; Mondloch, Joseph E.; Peng, Yang; Wilmer, Christopher E.; Sarjeant, Amy A.; Snurr, Randall Q.; Hupp, Joseph T.; Yildirim, Taner; Farha, Omar K.; Mirkin, Chad A.","Carborane-Based Metal‒Organic Framework with High Methane and Hydrogen Storage Capacities","Chemistry of Materials","2013","25","17","3539","","10.1021/cm4020942","","","1.54178","CuKα","","0.1267","0.1173","","","0.3735","0.3904","","","","","","1.764","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001824","12.0769","0.0003","12.0769","0.0003","12.0769","0.0003","90","","90","","90","","1761.43","0.08","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cu2.77 K8 Sn43.23 -","- Cu2.772 K8 Sn43.228 -","- Cu2.772 K8 Sn43.228 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0171","0.0155","","","0.0319","0.0325","","","","","","1.157","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001825","12.0868","0.0008","12.0868","0.0008","12.0868","0.0008","90","","90","","90","","1765.8","0.2","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cu2.76 Rb8 Sn43.24 -","- Cu2.76 Rb8 Sn43.24 -","- Cu2.76 Rb8 Sn43.24 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0178","0.0145","","","0.0324","0.0337","","","","","","1.083","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001826","12.1234","0.0006","12.1234","0.0006","12.1234","0.0006","90","","90","","90","","1781.86","0.15","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cs8 Cu2.69 Sn43.31 -","- Cs8 Cu2.682 Sn43.318 -","- Cs8 Cu2.682 Sn43.318 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0153","0.014","","","0.0285","0.029","","","","","","1.208","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001827","12.0671","0.0004","12.0671","0.0004","12.0671","0.0004","90","","90","","90","","1757.15","0.1","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- K8 Sn42.22 Zn3.78 -","- K8 Sn42.22 Zn3.78 -","- K8 Sn42.22 Zn3.78 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0166","0.0138","","","0.0268","0.0275","","","","","","1.315","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001828","12.0913","0.0005","12.0913","0.0005","12.0913","0.0005","90","","90","","90","","1767.74","0.13","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Rb8 Sn42.48 Zn3.52 -","- Rb8 Sn42.484 Zn3.516 -","- Rb8 Sn42.484 Zn3.516 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0269","0.0176","","","0.0278","0.0306","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001829","12.1239","0.0004","12.1239","0.0004","12.1239","0.0004","90","","90","","90","","1782.08","0.1","200","2","200","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Cs8 Sn42.57 Zn3.43 -","- Cs8 Sn42.568 Zn3.432 -","- Cs8 Sn42.568 Zn3.432 -","1","0.0208333","","Schäfer, Marion C.; Bobev, Svilen","Copper and Zinc Substitutions in Clathrates of Tin: Synthesis, Structural Characterization, and Physical Properties of A8Cu2.67Sn43.33 and A8Zn4Sn42 (A= K, Rb, Cs) with the Type-I Structure","Chemistry of Materials","2013","25","18","3737","","10.1021/cm402276n","","","0.71073","MoKα","","0.0106","0.0102","","","0.0212","0.0213","","","","","","1.279","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001830","14.4807","0.0004","4.55923","0.00011","20.7613","0.0006","90","","110.159","0.008","90","","1286.71","0.09","298","","298","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 O -","- C20 H12 O -","- C80 H48 O4 -","4","1","","Mitsui, Chikahiko; Okamoto, Toshihiro; Matsui, Hiroyuki; Yamagishi, Masakazu; Matsushita, Takeshi; Soeda, Junshi; Miwa, Kazumoto; Sato, Hiroyasu; Yamano, Akihito; Uemura, Takafumi; Takeya, Jun","Dinaphtho[1,2-b:2′,1′-d]chalcogenophenes: Comprehensive Investigation of the Effect of the Chalcogen Atoms in the Phenacene-Type π-Electronic Cores","Chemistry of Materials","2013","25","20","3952","","10.1021/cm303376g","","","1.54187","CuKα","","","0.0568","","","","0.1394","","","","","","0.995","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001831","6.729","0.0003","26.7472","0.0012","7.7813","0.0004","90","","90","","90","","1400.49","0.11","296","","296","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H12 Se -","- C20 H12 Se -","- C80 H48 Se4 -","4","0.5","","Mitsui, Chikahiko; Okamoto, Toshihiro; Matsui, Hiroyuki; Yamagishi, Masakazu; Matsushita, Takeshi; Soeda, Junshi; Miwa, Kazumoto; Sato, Hiroyasu; Yamano, Akihito; Uemura, Takafumi; Takeya, Jun","Dinaphtho[1,2-b:2′,1′-d]chalcogenophenes: Comprehensive Investigation of the Effect of the Chalcogen Atoms in the Phenacene-Type π-Electronic Cores","Chemistry of Materials","2013","25","20","3952","","10.1021/cm303376g","","","0.71075","MoKα","","","0.0629","","","","0.1654","","","","","","1.124","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001832","6.9337","0.0017","26.576","0.007","7.5281","0.0018","90","","90","","90","","1387.2","0.6","298","","298","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H12 S -","- C20 H12 S -","- C80 H48 S4 -","4","0.5","","Mitsui, Chikahiko; Okamoto, Toshihiro; Matsui, Hiroyuki; Yamagishi, Masakazu; Matsushita, Takeshi; Soeda, Junshi; Miwa, Kazumoto; Sato, Hiroyasu; Yamano, Akihito; Uemura, Takafumi; Takeya, Jun","Dinaphtho[1,2-b:2′,1′-d]chalcogenophenes: Comprehensive Investigation of the Effect of the Chalcogen Atoms in the Phenacene-Type π-Electronic Cores","Chemistry of Materials","2013","25","20","3952","","10.1021/cm303376g","","","0.71075","MoKα","","","0.0983","","","","0.2875","","","","","","0.992","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001833","12.8934","0.0003","15.642","0.0004","23.0349","0.0005","109.545","0.002","101.108","0.0018","96.454","0.002","4216.64","0.19","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C44.5 H36 B Cl Cu F4 N3 O P2 -","- C44.5 H36 B Cl Cu F4 N3 O P2 -","- C178 H144 B4 Cl4 Cu4 F16 N12 O4 P8 -","4","2","","Chen, Xu-Lin; Yu, Rongmin; Zhang, Qi-Kai; Zhou, Liu-Jiang; Wu, Xiao-Yuan; Zhang, Qing; Lu, Can-Zhong","Rational Design of Strongly Blue-Emitting Cuprous Complexes with Thermally Activated Delayed Fluorescence and Application in Solution-Processed OLEDs","Chemistry of Materials","2013","25","19","3910","","10.1021/cm4024309","","","1.54184","CuKα","","0.0718","0.0626","","","0.1799","0.1917","","","","","","1.094","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001834","9.8109","0.0014","13.494","0.002","18.885","0.002","100.677","0.004","94.954","0.006","107.203","0.005","2320.3","0.5","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C45.5 H38 B Cl Cu F4 N3 O P2 -","- C45.5 H38 B Cl Cu F4 N3 O P2 -","- C91 H76 B2 Cl2 Cu2 F8 N6 O2 P4 -","2","1","","Chen, Xu-Lin; Yu, Rongmin; Zhang, Qi-Kai; Zhou, Liu-Jiang; Wu, Xiao-Yuan; Zhang, Qing; Lu, Can-Zhong","Rational Design of Strongly Blue-Emitting Cuprous Complexes with Thermally Activated Delayed Fluorescence and Application in Solution-Processed OLEDs","Chemistry of Materials","2013","25","19","3910","","10.1021/cm4024309","","","0.71073","MoKα","","0.0957","0.0709","","","0.2025","0.2315","","","","","","1.066","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001835","9.846","0.003","13.394","0.005","17.194","0.005","95.74","0.014","90.447","0.015","109.394","0.015","2126.1","1.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C45 H34 B Cu F7 N3 O P2 -","- C45 H34 B Cu F7 N3 O P2 -","- C90 H68 B2 Cu2 F14 N6 O2 P4 -","2","1","","Chen, Xu-Lin; Yu, Rongmin; Zhang, Qi-Kai; Zhou, Liu-Jiang; Wu, Xiao-Yuan; Zhang, Qing; Lu, Can-Zhong","Rational Design of Strongly Blue-Emitting Cuprous Complexes with Thermally Activated Delayed Fluorescence and Application in Solution-Processed OLEDs","Chemistry of Materials","2013","25","19","3910","","10.1021/cm4024309","","","0.71073","MoKα","","0.135","0.0852","","","0.2467","0.3435","","","","","","1.108","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001836","10.6322","0.0009","10.6322","0.0009","10.6322","0.0009","90","","90","","90","","1201.9","0.18","123","2","123","2","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","Lithium Silicide","","","- Li15 Si4 -","- Li15 Si4 -","- Li60 Si16 -","4","0.0833333","","Zeilinger, Michael; Baran, Volodymyr; van Wüllen, Leo; Häussermann, Ulrich; Fässler, Thomas F.","Stabilizing the Phase Li15Si4through Lithium‒Aluminum Substitution in Li15‒xAlxSi4(0.4 <x< 0.8)—Single Crystal X-ray Structure Determination of Li15Si4and Li14.37Al0.63Si4","Chemistry of Materials","2013","25","20","4113","","10.1021/cm402721n","","","0.71073","MoKα","","0.0103","0.0103","","","0.0299","0.0299","","","","","","1.145","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001837","10.687","0.007","10.687","0.007","10.687","0.007","90","","90","","90","","1220.6","1.4","298","2","298","2","","","","","","","","2","I -4 3 d","I -4bd 2c 3","220","Lithium Silicide","","","- Li15 Si4 -","- Li15 Si4 -","- Li60 Si16 -","4","0.0833333","","Zeilinger, Michael; Baran, Volodymyr; van Wüllen, Leo; Häussermann, Ulrich; Fässler, Thomas F.","Stabilizing the Phase Li15Si4through Lithium‒Aluminum Substitution in Li15‒xAlxSi4(0.4 <x< 0.8)—Single Crystal X-ray Structure Determination of Li15Si4and Li14.37Al0.63Si4","Chemistry of Materials","2013","25","20","4113","","10.1021/cm402721n","","","0.71073","MoKα","","0.0104","0.01","","","0.0267","0.027","","","","","","1.195","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001838","10.6172","0.0004","10.6172","0.0004","10.6172","0.0004","90","","90","","90","","1196.82","0.08","123","2","123","2","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","Al-doped Lithium Silicide","","","- Al0.63 Li14.37 Si4 -","- Al0.6333 Li14.3667 Si4 -","- Al2.5332 Li57.4668 Si16 -","4","0.0833333","","Zeilinger, Michael; Baran, Volodymyr; van Wüllen, Leo; Häussermann, Ulrich; Fässler, Thomas F.","Stabilizing the Phase Li15Si4through Lithium‒Aluminum Substitution in Li15‒xAlxSi4(0.4 <x< 0.8)—Single Crystal X-ray Structure Determination of Li15Si4and Li14.37Al0.63Si4","Chemistry of Materials","2013","25","20","4113","","10.1021/cm402721n","","","0.71073","MoKα","","0.0065","0.0063","","","0.0165","0.0165","","","","","","1.299","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001839","10.664","0.0012","10.664","0.0012","10.664","0.0012","90","","90","","90","","1212.7","0.2","298","2","298","2","","","","","","","","3","I -4 3 d","I -4bd 2c 3","220","Al-doped Lithium Silicide","","","- Al0.59 Li14.41 Si4 -","- Al0.5904 Li14.4096 Si4 -","- Al2.3616 Li57.6384 Si16 -","4","0.0833333","","Zeilinger, Michael; Baran, Volodymyr; van Wüllen, Leo; Häussermann, Ulrich; Fässler, Thomas F.","Stabilizing the Phase Li15Si4through Lithium‒Aluminum Substitution in Li15‒xAlxSi4(0.4 <x< 0.8)—Single Crystal X-ray Structure Determination of Li15Si4and Li14.37Al0.63Si4","Chemistry of Materials","2013","25","20","4113","","10.1021/cm402721n","","","0.71073","MoKα","","0.0129","0.0128","","","0.0314","0.0315","","","","","","1.307","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001841","8.608","0.003","10.221","0.004","13.297","0.005","97.85","0.03","96.79","0.03","113.64","0.04","1042.2","0.8","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H54 I2 N2 O2 -","- C44 H54 I2 N2 O2 -","- C44 H54 I2 N2 O2 -","1","0.5","","González, Lucía; Gimeno, Nélida; Tejedor, Rosa María; Polo, Víctor; Ros, M. Blanca; Uriel, Santiago; Serrano, José Luis","Halogen-Bonding Complexes Based on Bis(iodoethynyl)benzene Units: A New Versatile Route to Supramolecular Materials","Chemistry of Materials","2013","25","22","4503","","10.1021/cm401849f","","","0.71073","MoKα","","0.2913","0.1092","","","0.1476","0.2204","","","","","","0.952","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001842","7.728","0.003","9.453","0.004","14.8","0.005","75.71","0.03","84","0.03","66.93","0.04","963.9","0.7","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H54 I2 N2 O2 -","- C40 H54 I2 N2 O2 -","- C40 H54 I2 N2 O2 -","1","0.5","","González, Lucía; Gimeno, Nélida; Tejedor, Rosa María; Polo, Víctor; Ros, M. Blanca; Uriel, Santiago; Serrano, José Luis","Halogen-Bonding Complexes Based on Bis(iodoethynyl)benzene Units: A New Versatile Route to Supramolecular Materials","Chemistry of Materials","2013","25","22","4503","","10.1021/cm401849f","","","0.71073","MoKα","","0.2226","0.1115","","","0.1637","0.2118","","","","","","0.997","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001843","10.124","0.01","9.681","0.009","12.008","0.012","90","","106.047","0.013","90","","1131.1","1.9","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 Ag2 N4 -","- C20 H38 Ag2 N4 -","- C40 H76 Ag4 N8 -","2","0.5","","Coyle, Jason P.; Gordon, Peter G.; Wells, Adam P.; Mandia, David J.; Sirianni, Eric R.; Yap, Glenn P. A.; Barry, Se T.","Thermally Robust Gold and Silver Iminopyrrolidinates for Chemical Vapor Deposition of Metal Films","Chemistry of Materials","2013","25","22","4566","","10.1021/cm402658c","","","0.71073","MoKα","","0.0273","0.0235","","","0.0564","0.0588","","","","","","1.082","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001844","10.1692","0.0014","9.7129","0.0013","12.0353","0.0017","90","","106.605","0.002","90","","1139.2","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H38 Au2 N4 -","- C20 H38 Au2 N4 -","- C40 H76 Au4 N8 -","2","0.5","","Coyle, Jason P.; Gordon, Peter G.; Wells, Adam P.; Mandia, David J.; Sirianni, Eric R.; Yap, Glenn P. A.; Barry, Se T.","Thermally Robust Gold and Silver Iminopyrrolidinates for Chemical Vapor Deposition of Metal Films","Chemistry of Materials","2013","25","22","4566","","10.1021/cm402658c","","","0.71073","MoKα","","0.0153","0.0141","","","0.0335","0.0343","","","","","","1.039","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001845","10.336","0.0002","6.006","0.0003","4.6932","0.0005","90","","90","","90","","291.34","0.03","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","x-ray","0.7107","MoKα","","0.0189","0.018","","","0.0472","0.0476","","","","1.69","1.69","1.68","","","","has coordinates","288070","2023-12-06","12:50:23",""
"4001846","10.336","0.0002","6.006","0.0003","4.6932","0.0005","90","","90","","90","","291.34","0.03","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe Li1.1 O4.126 P -","- Fe4 Li4.4 O16.504 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","x-ray","0.7107","MoKα","","0.0189","0.0179","","","0.0472","0.0476","","","","1.7","1.7","1.68","","","","has coordinates","288070","2023-12-06","12:50:25",""
"4001847","10.3244","0.0002","6.0064","0.0003","4.6901","0.0005","90","","90","","90","","290.84","0.03","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","x-ray","0.7107","MoKα","","0.0177","0.0153","","","0.0423","0.0432","","","","1.45","1.45","1.41","","","","has coordinates","288070","2023-12-06","12:50:26",""
"4001848","10.3244","0.0002","6.0064","0.0003","4.6901","0.0005","90","","90","","90","","290.84","0.03","293","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Fe Li O4 P -","- Fe1.004 Li O4.125 P -","- Fe4.016 Li4 O16.5 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","x-ray","0.7107","MoKα","","0.0178","0.0154","","","0.0413","0.0421","","","","1.42","1.42","1.38","","","","has coordinates","288070","2023-12-06","12:50:26",""
"4001849","10.3165","0.001","6.0095","0.0021","4.6988","0.0007","90","","90","","90","","291.31","0.11","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","Lithium iron phosphate","","","- Fe Li O4 P -","- Fe Li O4 P -","- Fe4 Li4 O16 P4 -","4","0.5","","Janssen, Yuri; Santhanagopalan, Dhamodaran; Qian, Danna; Chi, Miaofang; Wang, Xiaoping; Hoffmann, Christina; Meng, Ying Shirley; Khalifah, Peter G.","Reciprocal Salt Flux Growth of LiFePO4Single Crystals with Controlled Defect Concentrations","Chemistry of Materials","2013","25","22","4574","","10.1021/cm4027682","","neutron","","neutron","","0.046","0.046","","","0.125","0.125","","","","","","2.292","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001850","12.2332","0.0019","9.4949","0.0015","38.973","0.006","90","","94.17","0.02","90","","4514.8","1.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H64 N2 O4 -","- C52 H64 N2 O4 -","- C208 H256 N8 O16 -","4","1","","Zhao, Xiaotao; Huang, Cancan; Gulcur, Murat; Batsanov, Andrei S.; Baghernejad, Masoud; Hong, Wenjing; Bryce, Martin R.; Wandlowski, Thomas","Oligo(aryleneethynylene)s with Terminal Pyridyl Groups: Synthesis and Length Dependence of the Tunneling-to-Hopping Transition of Single-Molecule Conductances","Chemistry of Materials","2013","25","21","4340","","10.1021/cm4029484","","","0.6889","synchrotron","","0.0764","0.0515","","","0.1239","0.1352","","","","","","1.03","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4001851","24.021","0.004","4.8652","0.0009","28.577","0.005","90","","106.733","0.019","90","","3198.3","1","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H92 N2 O6 -","- C72 H92 N2 O6 -","- C144 H184 N4 O12 -","2","0.5","","Zhao, Xiaotao; Huang, Cancan; Gulcur, Murat; Batsanov, Andrei S.; Baghernejad, Masoud; Hong, Wenjing; Bryce, Martin R.; Wandlowski, Thomas","Oligo(aryleneethynylene)s with Terminal Pyridyl Groups: Synthesis and Length Dependence of the Tunneling-to-Hopping Transition of Single-Molecule Conductances","Chemistry of Materials","2013","25","21","4340","","10.1021/cm4029484","","","0.6889","Synchrotron","","0.0936","0.0713","","","0.1635","0.1767","","","","","","1.106","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001852","8.8088","0.0013","16.589","0.003","17.178","0.003","117.735","0.017","95.132","0.018","97.491","0.017","2170.4","0.8","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C95 H120 Cl2 N2 O9 -","- C91 H108 Cl2 N2 O7 -","- C91 H108 Cl2 N2 O7 -","1","0.5","","Zhao, Xiaotao; Huang, Cancan; Gulcur, Murat; Batsanov, Andrei S.; Baghernejad, Masoud; Hong, Wenjing; Bryce, Martin R.; Wandlowski, Thomas","Oligo(aryleneethynylene)s with Terminal Pyridyl Groups: Synthesis and Length Dependence of the Tunneling-to-Hopping Transition of Single-Molecule Conductances","Chemistry of Materials","2013","25","21","4340","","10.1021/cm4029484","","x-ray","0.6889","Synchrotron","","0.0824","0.061","","","0.1805","0.1943","","","","","","1.076","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001853","19.637","0.007","8.175","0.003","23.803","0.008","90","","112.222","0.004","90","","3537","2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C88 H88 N2 O6 -","- C88 H80 N2 O5.4 -","- C176 H160 N4 O10.8 -","2","0.5","","Zhao, Xiaotao; Huang, Cancan; Gulcur, Murat; Batsanov, Andrei S.; Baghernejad, Masoud; Hong, Wenjing; Bryce, Martin R.; Wandlowski, Thomas","Oligo(aryleneethynylene)s with Terminal Pyridyl Groups: Synthesis and Length Dependence of the Tunneling-to-Hopping Transition of Single-Molecule Conductances","Chemistry of Materials","2013","25","21","4340","","10.1021/cm4029484","","x-ray","0.6889","Synchrotron","","0.0751","0.0519","","","0.1337","0.1449","","","","","","1.038","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001854","4.5246","0.0002","21.9437","0.001","13.2001","0.0006","90","","90","","90","","1310.59","0.1","100","2","100","2","","","","","","","","2","C m c m","-C 2c 2","63","Lithium Silicide","","","- Li4.106 Si -","- Li4.10625 Si -","- Li65.7 Si16 -","16","1","","Zeilinger, Michael; Kurylyshyn, Iryna M.; Häussermann, Ulrich; Fässler, Thomas F.","Revision of the Li‒Si Phase Diagram: Discovery and Single-Crystal X-ray Structure Determination of the High-Temperature Phase Li4.11Si","Chemistry of Materials","2013","25","22","4623","","10.1021/cm4029885","","","0.71073","MoKα","","0.0171","0.012","","","0.0274","0.0294","","","","","","1.087","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001855","4.5467","0.0009","22.065","0.004","13.24","0.003","90","","90","","90","","1328.3","0.5","298","2","298","2","","","","","","","","2","C m c m","-C 2c 2","63","Lithium Silicide","","","- Li4.105 Si -","- Li4.1045 Si -","- Li65.672 Si16 -","16","1","","Zeilinger, Michael; Kurylyshyn, Iryna M.; Häussermann, Ulrich; Fässler, Thomas F.","Revision of the Li‒Si Phase Diagram: Discovery and Single-Crystal X-ray Structure Determination of the High-Temperature Phase Li4.11Si","Chemistry of Materials","2013","25","22","4623","","10.1021/cm4029885","","","0.71073","MoKα","","0.0213","0.0188","","","0.0311","0.0319","","","","","","1.206","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001856","18.8164","0.0001","18.8164","0.0001","18.8164","0.0001","90","","90","","90","","6662.08","0.06","100","2","100","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- B18 H6 O63 V12 Zn3 -","- B18 H6 O63 V12 Zn3 -","- B72 H24 O252 V48 Zn12 -","4","0.166667","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","1.5418","CuKα","","0.0451","0.0411","","","0.136","0.1404","","","","","","0.963","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001857","32.7924","0.0001","32.7924","0.0001","28.322","0.0002","90","","90","","90","","30455.8","0.3","293","2","","","","","","","","","","7","I 41/a c d :2","-I 4bd 2c","142","","","","- C8 H36 B18 N6 O61 V12 Zn2 -","- C8 H36 B18 N6 O61 V12 Zn2 -","- C128 H576 B288 N96 O976 V192 Zn32 -","16","0.5","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","0.6889","synchrotron","","0.0368","0.036","","","0.1694","0.172","","","","","","1.099","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001858","18.9594","0.0004","18.5495","0.0003","19.4909","0.0004","90","","94.065","0.002","90","","6837.5","0.2","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B18 H6 O60 V12 -","- B18 H6 O60 V12 -","- B72 H24 O240 V48 -","4","0.5","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","0.71073","MoKα","","0.0557","0.0401","","","0.1027","0.1083","","","","","","1.025","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4001859","22.0072","0.0006","22.0072","0.0006","11.2578","0.0004","90","","90","","120","","4721.9","0.2","373","2","373","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C18 B27 N18 O90 V18 -","- C18 B27 N18 O90 V18 -","- C36 B54 N36 O180 V36 -","2","0.111111","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","1.54184","CuKα","","0.0717","0.0661","","","0.1826","0.187","","","","","","1.142","","","","has coordinates,has disorder","178377","2020-10-21","18:00:00",""
"4001860","18.9393","0.0002","18.9393","0.0002","18.9393","0.0002","90","","90","","90","","6793.47","0.12","298","2","298","2","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- B36 Ni6 O132 V24 -","- B36 Ni6 O132 V24 -","- B72 Ni12 O264 V48 -","2","0.0833333","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","0.71073","MoKα","","0.1027","0.0675","","","0.1732","0.1918","","","","","","1.036","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001861","18.9341","0.0003","18.9341","0.0003","18.9341","0.0003","90","","90","","90","","6787.88","0.19","298","2","298","2","","","","","","","","4","P n -3 :2","-P 2ab 2bc 3","201","","","","- B24 Mn4 O88 V16 -","- B24 Mn4 O88 V16 -","- B72 Mn12 O264 V48 -","3","0.125","","Chen, Hong; Deng, Youqian; Yu, Zhengbao; Zhao, Huishuang; Yao, Qingxia; Zou, Xiaodong; Bäckvall, Jan-E.; Sun, Junliang","3D Open-Framework Vanadoborate as a Highly Effective Heterogeneous Pre-catalyst for the Oxidation of Alkylbenzenes","Chemistry of Materials","2013","25","24","5031","","10.1021/cm401400m","","","0.71073","MoKα","","0.0903","0.0684","","","0.1854","0.2008","","","","","","1.184","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001947","13.0397","0.0012","13.0397","0.0012","6.3042","0.0012","90","","90","","90","","1071.9","0.2","296","2","296","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ba Cu0.25 Ga1.25 S3 -","- Ba Cu0.25 Ga1.25 S3 -","- Ba8 Cu2 Ga10 S24 -","8","1","","Kuo, Shu-Ming; Chang, Yu-Ming; Chung, In; Jang, Joon-Ik; Her, Bo-Hsian; Yang, Siao-Han; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","New Metal Chalcogenides Ba4CuGa5Q12(Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response","Chemistry of Materials","2013","25","12","2427","","10.1021/cm400311v","","","0.71073","MoKα","","0.0212","0.0211","","","0.0577","0.0578","","","","","","1.181","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001948","13.1585","0.0002","13.1585","0.0002","6.352","0.0002","90","","90","","90","","1099.82","0.04","296","2","296","2","","","","","","","","5","P -4 21 c","P -4 2n","114","","","","- Ba Cu0.25 Ga1.25 S2.32 Se0.68 -","- Ba Cu0.25 Ga1.25 S2.248 Se0.719 -","- Ba8 Cu2 Ga10 S17.984 Se5.752 -","8","1","","Kuo, Shu-Ming; Chang, Yu-Ming; Chung, In; Jang, Joon-Ik; Her, Bo-Hsian; Yang, Siao-Han; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","New Metal Chalcogenides Ba4CuGa5Q12(Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response","Chemistry of Materials","2013","25","12","2427","","10.1021/cm400311v","","","0.71073","MoKα","","0.0193","0.0181","","","0.0398","0.0402","","","","","","1.119","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001949","13.5975","0.0014","13.5975","0.0014","6.5266","0.0013","90","","90","","90","","1206.7","0.3","294","2","294","2","","","","","","","","4","P -4 21 c","P -4 2n","114","","","","- Ba Cu0.25 Ga1.25 Se3 -","- Ba Cu0.25 Ga1.25 Se3 -","- Ba8 Cu2 Ga10 Se24 -","8","1","","Kuo, Shu-Ming; Chang, Yu-Ming; Chung, In; Jang, Joon-Ik; Her, Bo-Hsian; Yang, Siao-Han; Ketterson, John B.; Kanatzidis, Mercouri G.; Hsu, Kuei-Fang","New Metal Chalcogenides Ba4CuGa5Q12(Q = S, Se) Displaying Strong Infrared Nonlinear Optical Response","Chemistry of Materials","2013","25","12","2427","","10.1021/cm400311v","","","0.71073","MoKα","","0.0278","0.0264","","","0.0665","0.0673","","","","","","1.138","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001950","41.257","0.006","10.1464","0.0014","24.038","0.004","90","","96.739","0.004","90","","9993","3","173","2","173","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","10132","","","- C46 H36 -","- C46 H36 -","- C552 H432 -","12","1.5","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0919","0.0475","","","0.097","0.1131","","","","","","1.017","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001951","12.7495","0.001","9.4141","0.0007","14.5027","0.0011","90","","99.576","0.002","90","","1716.4","0.2","173","2","173","2","","","","","","","","2","P 1 21 1","P 2yb","4","10150","","","- C48 H40 -","- C48 H40 -","- C96 H80 -","2","1","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0606","0.0431","","","0.0958","0.1051","","","","","","1.024","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001952","15.2045","0.0008","13.901","0.0008","14.3104","0.0008","90","","90","","90","","3024.6","0.3","173","2","173","2","","","","","","","","2","P n a 21","P 2c -2n","33","11253b","","","- C44 H32 -","- C44 H32 -","- C176 H128 -","4","1","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0635","0.0421","","","0.0861","0.0964","","","","","","1.037","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001953","7.1443","0.0006","14.051","0.0012","34.143","0.003","90","","90","","90","","3427.4","0.5","123","2","123","2","","","","","","","","3","P b c m","-P 2c 2b","57","11079_0m","","","- C46 H30 F6 -","- C46 H30 F6 -","- C184 H120 F24 -","4","0.5","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.1207","0.0952","","","0.2648","0.2828","","","","","","1.143","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001954","7.5317","0.001","14.634","0.002","32.424","0.004","90","","90","","90","","3573.7","0.8","123","2","123","2","","","","","","","","3","P b c m","-P 2c 2b","57","11008a","","","- C48 H34 F6 -","- C48 H34 F6 -","- C192 H136 F24 -","4","0.5","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0976","0.0761","","","0.2043","0.2221","","","","","","1.057","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4001955","7.1162","0.0005","31.179","0.002","14.2075","0.001","90","","90","","90","","3152.3","0.4","123","2","123","2","","","","","","","","3","P n m a","-P 2ac 2n","62","11080","","","- C44 H26 F6 -","- C44 H26 F6 -","- C176 H104 F24 -","4","0.5","","McGarry, Kathryn A.; Xie, Wei; Sutton, Christopher; Risko, Chad; Wu, Yanfei; Young, Victor G.; Brédas, Jean-Luc; Frisbie, C. Daniel; Douglas, Christopher J.","Rubrene-Based Single-Crystal Organic Semiconductors: Synthesis, Electronic Structure, and Charge-Transport Properties","Chemistry of Materials","2013","25","11","2254","","10.1021/cm400736s","","","0.71073","MoKα","","0.0736","0.0459","","","0.1241","0.1477","","","","","","1.038","","","","has coordinates","178377","2020-10-21","18:00:00",""
"4029203","8.19","","8.19","","8.19","","90","","90","","90","","549.353","","","","","","","","","","","","","3","F d -3 m :1","F 4d 2 3 -1d","227","","Lithium Manganese(IV) Oxide (1.33/1.67/4)","","- Li1.333 Mn1.667 O4 -","- Li1.334 Mn1.666 O4 -","- Li10.672 Mn13.328 O32 -","8","0.0416667","","Blasse, G.","The structure of some new mixed metal oxides containing lithium","Journal of Inorganic and Nuclear Chemistry","1963","25","6","743","744","10.1016/0022-1902(63)80175-X","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4030144","7.341","0.002","7.341","0.002","10.015","0.003","90","","90","","120","","467.4","0.2","","","293","","","","","","","","","4","P -3 m 1","-P 3 2""","164","","","","- Bi3 O21 Pb4 Sb5 -","- Bi3 O21 Pb4 Sb5 -","- Bi3 O21 Pb4 Sb5 -","1","0.0833333","","Champarnaud-Mesjard, Jean-Claude; Manier, Michel; Frit, Bernard; Roult, Georges","Structure cristalline de l'oxyde complexe Bi3Pb4Sb5O21","European Journal of Solid State and Inorganic Chemistry","1988","25","","21","34","","powder diffraction","neutron","","white-beam","","","","","","","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030153","7.295","0.004","10.397","0.006","9.314","0.005","90","","93.93","0.04","90","","704.8","0.7","","","293","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- Cl4 Fe K -","- Cl4 Fe K -","- Cl16 Fe4 K4 -","4","2","","Cerisier, J.; Guillot, C.; Palvadeau, P.; Rouxel, J.","Caracterisation et etude de proprietes physiques de conducteurs ioniques MFeCl4 (M = Li, Na, K, Rb, Cs)","European Journal of Solid State and Inorganic Chemistry","1988","25","","35","52","","","x-ray","1.542","CuKα","","","","","","","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030154","11.224","0.009","7.138","0.005","9.31","0.006","90","","90","","90","","745.9","0.9","","","293","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- Cl4 Fe Rb -","- Cl4 Fe Rb -","- Cl16 Fe4 Rb4 -","4","0.5","","Cerisier, J.; Guillot, C.; Palvadeau, P.; Rouxel, J.","Caracterisation et etude de proprietes physiques de conducteurs ioniques MFeCl4 (M = Li, Na, K, Rb, Cs)","European Journal of Solid State and Inorganic Chemistry","1988","25","","35","52","","","x-ray","1.542","CuKα","","","","","","","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030176","9.569","0.002","4.2654","0.0007","20.954","0.003","90","","90","","90","","855.3","0.3","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- F7 H5 N2 Sn3 -","- F7.1 N2 Sn3 -","- F28.4 N8 Sn12 -","4","0.5","","Granier, W.; Vilminot, S.","Etude structurale de N2H5Sn3F7","European Journal of Solid State and Inorganic Chemistry","1988","25","","53","64","","","x-ray","0.71069","MoKα","","","0.02","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030177","6.688","0.009","6.72","0.017","7.402","0.008","67.9","0.1","111.6","0.1","119.7","0.1","260.8","0.9","","","293","","","","","","","","","3","P -1","-P 1","2","","","","- Br2 Nb Se2 -","- Br2 Nb Se2 -","- Br4 Nb2 Se4 -","2","1","","Grenouilleau, P.; Meerschaut, A.","NbSe2Br2 : Etude cristallographique des phases ""basse temperature"" et ""haute temperature""","European Journal of Solid State and Inorganic Chemistry","1988","25","","77","89","","","x-ray","0.71069","MoKα","","","0.057","","","0.07","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030178","6.662","0.01","11.677","0.017","7.083","0.012","90","","111.82","0.19","90","","511.5","1.5","","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Br2 Nb Se2 -","- Br2 Nb Se2 -","- Br8 Nb4 Se8 -","4","0.5","","Grenouilleau, P.; Meerschaut, A.","NbSe2Br2 : Etude cristallographique des phases ""basse temperature"" et ""haute temperature""","European Journal of Solid State and Inorganic Chemistry","1988","25","","77","89","","","x-ray","0.71069","MoKα","","","0.02","","","0.024","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030179","8.8508","","6.6297","","5.9055","","124.3","","97.8","","99.5","","270.984","","","","293","","","","","","","","","3","P -1","-P 1","2","","","","- Na4 O4 Sn -","- Na4 O4 Sn -","- Na8 O8 Sn2 -","2","1","","Hoppe, Rudolf; Bernet, Kirsten","Zum aufbau von Na4[SnO4]","European Journal of Solid State and Inorganic Chemistry","1988","25","","119","134","","","x-ray","0.71069","MoKα","","","0.0508","","","0.0314","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030180","11.09","0.02","5.543","0.001","6.656","0.002","90","","90","","90","","409.2","0.8","","","293","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- H2 O6 S Zr -","- O6 S Zr -","- O24 S4 Zr4 -","4","0.5","","El Brahimi, M.; Durand, J.; Cot, L.","Structure cristalline du sulfate basique de zirconium Zr(OH)2SO4","European Journal of Solid State and Inorganic Chemistry","1988","25","","185","189","","","x-ray","0.71069","MoKα","","","0.024","","","","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030181","4.8246","0.0008","4.8246","0.0008","9.226","0.002","90","","90","","120","","185.98","0.06","","","293","","","","","","","","","4","P -3","-P 3","147","","","","- Cs O8 P2 Sb -","- Cs O8 P2 Sb -","- Cs O8 P2 Sb -","1","0.166667","","Oyetola, S.; Verbaere, A.; Piffard, Y.; Tournoux, M.","The layered compounds AM(V)(PO4)2 (A = K, Rb, Cs and M = Sb, Nb, Ta)","European Journal of Solid State and Inorganic Chemistry","1988","25","","259","278","","","x-ray","0.71069","MoKα","","","0.028","","","0.032","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030182","18.097","0.002","3.9582","0.0002","18.118","0.002","90","","116.089","0.007","90","","1165.6","0.2","","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cu14 Se10 Tl5 -","- Cu14 Se10 Tl5 -","- Cu28 Se20 Tl10 -","2","0.25","","Berger, Rolf; Meerschaut, Alain","The crystal structure of Tl5Cu14Se10","European Journal of Solid State and Inorganic Chemistry","1988","25","","279","288","","","x-ray","0.71069","MoKα","","","0.047","","","0.057","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030183","7.305","0.002","19.265","0.004","13.648","0.003","90","","117.77","0.02","90","","1699.5","0.8","","","293","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Br3 Nb3 Se10 -","- Br3 Nb3 Se10 -","- Br12 Nb12 Se40 -","4","1","","Grenouilleau, Philippe; Guemas, Louisette; Meerschaut, Alain","Un nouvel exemple de polymorphisme dans un compose de basse dimensionnalite : Nb3Se10Br3","European Journal of Solid State and Inorganic Chemistry","1988","25","","341","350","","","x-ray","0.71069","MoKα","","","0.074","","","0.087","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030184","8.711","0.001","8.711","0.001","4.653","0.001","90","","90","","120","","305.77","0.08","","","293","","","","","","","","","4","P 3 2 1","P 3 2""","150","","","","- F6 Li Mn V -","- F6 Li Mn V -","- F18 Li3 Mn3 V3 -","3","0.5","","Courbion, G.; Jacoboni, C.; Wolfers, P.","Na2SiF6 and ordered trirutile-types : crystal and magnetic structure of alpha- and beta-LiMnVF6","European Journal of Solid State and Inorganic Chemistry","1988","25","","359","374","","","x-ray","0.71069","MoKα","","","0.0242","","","0.0344","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030185","4.735","0.001","4.735","0.001","9.41","0.002","90","","90","","90","","210.97","0.08","","","293","","","","","","","","","4","P 42 n m","P 4n -2n","102","","","","- F6 Li Mn V -","- F6 Li Mn V -","- F12 Li2 Mn2 V2 -","2","0.25","","Courbion, G.; Jacoboni, C.; Wolfers, P.","Na2SiF6 and ordered trirutile-types : crystal and magnetic structure of alpha- and beta-LiMnVF6","European Journal of Solid State and Inorganic Chemistry","1988","25","","359","374","","","x-ray","0.71069","MoKα","","","0.0257","","","0.0229","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030186","12.43","0.009","12.43","0.009","11.32","0.009","90","","90","","120","","1515","2","","","293","","","","","","","","","3","R -3 c :H","-R 3 2""c","167","","","","- Bi F15 Zr3 -","- Bi0.999 F15 Zr3.001 -","- Bi5.994 F90 Zr18.006 -","6","0.166667","","Caignol, E.; Metin, J.; Chevalier, R.; Cousseins, J. C.; Avignant, D.","Crystal structure of the BiZr3F15 phase","European Journal of Solid State and Inorganic Chemistry","1988","25","","399","411","","","x-ray","0.71069","MoKα","","","0.0507","","","","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030187","29.253","0.006","3.819","0.001","15.528","0.004","90","","121.85","0.02","90","","1473.5","0.7","","","293","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- In6 S19 Sn8 -","- In3 S9.5 Sn4 -","- In12 S38 Sn16 -","4","0.5","","Adenis, Claire; Ilivier-Fourcade, Josette; Jumas, Jean-Claude; Philippot, Etienne","Structural study of In6Sn8S19, a mixed valence tin phase in the ternary system In-Sn-S","European Journal of Solid State and Inorganic Chemistry","1988","25","","413","423","","","x-ray","0.71069","MoKα","","","0.055","","","","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030188","4.105","0.002","4.105","0.002","5.843","0.003","90","","90","","90","","98.46","0.08","","","293","","","","","","","","","3","P 4/n m m :2","-P 4a 2a","129","","","","- F1.7 La O0.65 -","- F1.702 La O0.65 -","- F3.404 La2 O1.3 -","2","0.125","","Laval, Jean-Paul; Abaouz, Ali; Frit, Bernard; Roult, Georges; Harrison, W. T. A","High resolution powder neutron diffraction study of the tetragonal anion-excess fluorite-related LaF1.70O0.65","European Journal of Solid State and Inorganic Chemistry","1988","25","","425","434","","","neutron","","white","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4030189","6.0114","0.0002","6.0735","0.0002","6.5506","0.0002","90","","90","","90","","239.164","0.013","","","85","","","","","","","","","2","B b c m","-B 2 2ab","64","","","","- D I -","- D I -","- D4 I4 -","4","","","Cockcroft, Jeremy K.; Simon, Arndt; Borrmann, Horst; Obermeyer, Axel","The crystal structures of the low-temperature modifications of deuterium iodide - a neutron study","European Journal of Solid State and Inorganic Chemistry","1988","25","","471","481","","powder diffraction","neutron","1.9122","","","","","","","","","","0.04","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4030190","8.68","0.001","8.68","0.001","16.657","0.002","90","","90","","90","","1255","0.3","","","293","","","","","","","","","3","I 4/m","-I 4","87","","","","- Ca2 F7 Yb -","- Ca1.9948 F7.1996 Yb1.0052 -","- Ca19.948 F71.996 Yb10.052 -","10","0.625","","Bevan, D. J. M.; McCall, Maxime J.; Ness, Sharon E.; Taylor, Max R.","Cuboctahedral anion clusters in fluorite-related superstructures : the structure of Ca2YbF7. Part 2","European Journal of Solid State and Inorganic Chemistry","1988","25","","517","526","","","x-ray","0.71069","MoKα","","","0.039","","","","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030191","9.331","0.004","10.97","0.005","3.06","0.001","90","","90","","90","","313.2","0.2","","","293","","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- Fe Na O4 Sn -","- Fe Na O4 Sn -","- Fe4 Na4 O16 Sn4 -","4","0.5","","Archaimbault, F.; Choisnet, J.; Rautureau, M.","New ferriantimonates with the CaFe2O4 type structure : Na2Fe3SbO8 and the isomorphous series Na2Fe(2+x)Sn(2-2x)SbxO8 (O<=x<=1)","European Journal of Solid State and Inorganic Chemistry","1988","25","","573","587","","","x-ray","1.54056","CuKα","","","","","","","","","0.035","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030192","9.249","0.003","10.839","0.009","3.013","0.002","90","","90","","90","","302.1","0.3","","","293","","","","","","","","","4","P n a m","-P 2c 2n","62","","","","- Fe3 Na2 O8 Sb -","- Fe3 Na2 O8 Sb -","- Fe6 Na4 O16 Sb2 -","2","0.25","","Archaimbault, F.; Choisnet, J.; Rautureau, M.","New ferriantimonates with the CaFe2O4 type structure : Na2Fe3SbO8 and the isomorphous series Na2Fe(2+x)Sn(2-2x)SbxO8 (O<=x<=1)","European Journal of Solid State and Inorganic Chemistry","1988","25","","573","587","","","x-ray","1.54056","CuKα","","","","","","","","","0.034","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030193","5.6283","0.0006","8.6123","0.0008","6.2381","0.0007","90","","90","","90","","302.38","0.05","","","293","","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Li Mg O4 V -","- Li Mg O4 V -","- Li4 Mg4 O16 V4 -","4","0.25","","Barbier, Jacques","LiMgVO4 : powder neutron refinement and crystal chemistry","European Journal of Solid State and Inorganic Chemistry","1988","25","","609","619","","powder diffraction","neutron","1.3916","","","","","","","","","","0.046","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030194","9.207","0.002","11.19","0.004","18.952","0.005","90","","91.63","0.02","90","","1951.8","1","","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- Br6 O S8 Ti4 -","- Br6 O S8 Ti4 -","- Br24 O4 S32 Ti16 -","4","1","","Cotton, F. Albert; Kibala, Piotr A.; Sandor, Robert B. W.","Synthesis and crystal structure of Ti4O(S2)4Br6","European Journal of Solid State and Inorganic Chemistry","1988","25","","631","636","","","x-ray","0.71069","MoKα","","","0.0418","","","0.054","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4030195","22.485","0.005","3.818","0.001","15.378","0.003","90","","91.25","0.02","90","","1319.9","0.5","","","294","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","","","- Cu Nb13 O33 -","- Cu Nb13 O33 -","- Cu2 Nb26 O66 -","2","0.25","","Cotton, F. Albert; Sandor, Robert B. W.","Synthesis and crystal structure of CuNb13O33 and phase analysis of the Cu-NbO2 system","European Journal of Solid State and Inorganic Chemistry","1988","25","","637","644","","","x-ray","0.71069","MoKα","","","0.0363","","","0.0652","","","","","","","","","","","has coordinates","178480","2020-10-21","18:00:00",""
"4031227","6.584","","6.871","","4.342","","90","","90","","90","","196.426","","","","","","","","","","","","","2","P n n m","-P 2 2n","58","","Ca Br2","","- Br2 Ca -","- Br2 Ca -","- Br4 Ca2 -","2","0.25","","Brackett, E.B.; Brackett, T.E.; Sass, R.L.","The crystal structure of calcium bromide","Journal of Inorganic and Nuclear Chemistry","1963","25","","1295","1296","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031460","6.736","","6.688","","7.402","","111.6","","90.59","","119.92","","260.828","","","","","","","","","","","","","3","P -1","-P 1","2","","Nb Se2 Br2","","- Br2 Nb Se2 -","- Br2 Nb Se2 -","- Br4 Nb2 Se4 -","2","1","","Grenouilleau, P.; Meerschaut, A.","Nb Se2 Br2: Etude cristallographique des phases ""basse temperature"" et ""haute temperature""","European Journal of Solid State Inorganic Chemistry","1988","25","","77","89","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4031609","8.8435","","11.8832","","8.8303","","90","","85.435","","90","","925.024","","","","","","","","","","","","","2","I 1 2/a 1","-I 2ya","15","","","","- D I -","- D I -","- D16 I16 -","16","2","","Cockcroft, J.K.; Simon, A.; Borrmann, H.; Obermeyer, A.","The crystal structures of the low-temperature modifications of deuterium iodide - a neutron study","European Journal of Solid State Inorganic Chemistry","1988","25","","471","481","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4031682","7.548","","7.548","","7.548","","90","","90","","90","","430.027","","","","","","","","","","","","","2","F d -3 m :1","F 4d 2 3 -1d","227","","","","- Mo2 Zr -","- Mo2 Zr -","- Mo16 Zr8 -","8","0.0416667","","Semenenko, K.N.; Mitrokhin, S.V.; Verbetskii, V.N.; Burnasheva, V.V.","Reaction of hydrogen with intermetallic zirconium compounds crystallising with Laves phase structures","Russian Journal of Inorganic Chemistry (= Zhurnal Neorganicheskoi Khimii)","1980","25","","961","964","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4060575","18.1491","0.0003","8.1751","0.0001","14.3414","0.0002","90","","90","","90","","2127.84","0.05","200","2","200","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","?","- C48 H40 As8 Cl8 F48 N8 Ti4 -","- C48 H40 As8 Cl8 F48 N8 Ti4 -","","","","Margret-Jane Crawford; Peter Mayer; Heinrich Nöth; Max Suter","Facile Synthesis and Structural Characterization of [Cp2Ti(IV)(NCX)2][AsF6]2 Complexes with Halogen Cyanides (X = Cl, Br, I)","Organometallics","2006","25","","128","132","10.1021/om050508g","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060577","9.812","0.002","21.432","0.003","13.712","0.002","90","","100.06","0.01","90","","2839.4","0.8","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Br3 P -","- C30 H36 Br3 P -","- C120 H144 Br12 P4 -","4","1","","Sasaki, Shigeru; Murakami, Fumiki; Yoshifuji, Masaaki","","Organometallics","2006","25","1","140","147","10.1021/om050522t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060578","10.764","0.001","14.461","0.002","8.748","0.001","103.961","0.009","101.889","0.009","97.284","0.009","1270.6","0.3","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H34 As I -","- C28 H34 As I -","- C56 H68 As2 I2 -","2","1","","Sasaki, Shigeru; Murakami, Fumiki; Yoshifuji, Masaaki","","Organometallics","2006","25","1","140","147","10.1021/om050522t","","","","","","","","","","","","","","","","","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4060581","11.3259","0.0012","21.219","0.002","15.0905","0.0016","90","","100.147","0.002","90","","3569.9","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H38 B Cl3 Ir N7 O -","- C33 H38 B Cl3 Ir N7 O -","- C132 H152 B4 Cl12 Ir4 N28 O4 -","4","1","","Salazar, Verónica; Suárez-Castillo, Oscar R.; Padilla, Rosa; Macías Pulido, Juan Carlos; Méndez-Rojas, Miguel Ángel; Tamariz, Joaquín; Benavides, Adriana","Synthesis of η^4^:π^2^-Exocyclic-Diene Iridium(I) Complexes Derived from 1,3-Oxazolidin-2-ones and Their Transformation into Iridium(III) Derivatives by Reaction with a Phosphine and with Aldehydes","Organometallics","2006","25","1","172","176","10.1021/om050582z","","","0.71073","MoKα","","0.0694","0.0414","","","0.084","0.0917","","","","","","0.944","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060582","9.707","0.007","26.84","0.03","14.283","0.007","90","","107.93","0.02","90","","3540","5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H45 B Ir N7 O3 -","- C35 H45 B Ir N7 O3 -","- C140 H180 B4 Ir4 N28 O12 -","4","1","","Salazar, Verónica; Suárez-Castillo, Oscar R.; Padilla, Rosa; Macías Pulido, Juan Carlos; Méndez-Rojas, Miguel Ángel; Tamariz, Joaquín; Benavides, Adriana","Synthesis of η^4^:π^2^-Exocyclic-Diene Iridium(I) Complexes Derived from 1,3-Oxazolidin-2-ones and Their Transformation into Iridium(III) Derivatives by Reaction with a Phosphine and with Aldehydes","Organometallics","2006","25","1","172","176","10.1021/om050582z","","","0.71073","MoKα","","0.0509","0.0347","","","0.0782","0.0835","","","","","","1.015","","","","has coordinates","176428","2020-10-21","18:00:00",""
"4060613","42.91","0.0012","9.8725","0.0002","27.4618","0.0008","90","","112.213","0.001","90","","10770.2","0.5","200","","200","","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C37.53 H42.13 B Cl8.59 N7 O0.3 P Rh S3 -","- C37.528 H41.5291 B Cl8.584 N7 O0.3 P Rh S3 -","- C300.224 H332.233 B8 Cl68.672 N56 O2.4 P8 Rh8 S24 -","8","1","","Crossley, Ian R.; Hill, Anthony F.; Willis, Anthony C.","Metallaboratranes: Tris(methimazolyl)borane Complexes of Rhodium(I)","Organometallics","2006","25","1","289","299","10.1021/om050772+","","","","","","","","","","","","","","","","","","","","","has coordinates","219029","2020-10-21","18:00:00",""
"4060614","10.8109","0.0002","14.8035","0.0003","18.0613","0.0004","86.3691","0.001","73.2647","0.0012","74.3865","0.0013","2665.63","0.1","200","","200","","","","","","","","","8","P -1","-P 1","2","","","","- C42 H42 B Cl10 N7 P Rh S3 -","- C42 H42 B Cl10 N7 P Rh S3 -","- C84 H84 B2 Cl20 N14 P2 Rh2 S6 -","2","1","","Crossley, Ian R.; Hill, Anthony F.; Willis, Anthony C.","Metallaboratranes: Tris(methimazolyl)borane Complexes of Rhodium(I)","Organometallics","2006","25","1","289","299","10.1021/om050772+","","","","","","","","","","","","","","","","","","","","","has coordinates","219029","2020-10-21","18:00:00",""
"4060615","9.1802","0.0002","21.9173","0.0005","32.411","0.0008","90","","90","","90","","6521.3","0.3","200","","200","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C39 H76 B2 Cl5 N12 O2.5 P4 Rh2 S6 -","- C39 H72 B2 Cl5 N12 O2.5 P4 Rh2 S6 -","- C156 H288 B8 Cl20 N48 O10 P16 Rh8 S24 -","4","1","","Crossley, Ian R.; Hill, Anthony F.; Willis, Anthony C.","Metallaboratranes: Tris(methimazolyl)borane Complexes of Rhodium(I)","Organometallics","2006","25","1","289","299","10.1021/om050772+","","","","","","","","","","","","","","","","","","","","","has coordinates","219029","2020-10-21","18:00:00",""
"4060628","14.581","0.003","22.782","0.005","12.847","0.003","90","","90","","90","","4267.6","1.5","173","2","173","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C47 H74 Li2 N4 -","- C47 H74 Li2 N4 -","- C188 H296 Li8 N16 -","4","0.5","","Carsten Strohmann; Stefan Dilsky; Katja Strohfeldt","Crystal Structures of [PhLi·(−)-sparteine]2, [PhOLi·(−)-sparteine]2, and the Mixed Aggregate [PhLi·PhOLi·2(−)-sparteine]","Organometallics","2006","25","","41","","10.1021/om050794w","","","","","","","","","","","","","","","","","","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4060629","9.6939","0.0019","16.621","0.003","13.931","0.003","90","","104.16","0.03","90","","2176.3","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H74 Li2 N4 O -","- C47 H74 Li2 N4 O -","- C94 H148 Li4 N8 O2 -","2","1","","Carsten Strohmann; Stefan Dilsky; Katja Strohfeldt","Crystal Structures of [PhLi·(−)-sparteine]2, [PhOLi·(−)-sparteine]2, and the Mixed Aggregate [PhLi·PhOLi·2(−)-sparteine]","Organometallics","2006","25","","41","","10.1021/om050794w","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060630","9.7174","0.0018","16.668","0.003","14.42","0.002","90","","106.2","0.02","90","","2242.9","0.7","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H74 Li2 N4 O2 -","- C47 H74 Li2 N4 O2 -","- C94 H148 Li4 N8 O4 -","2","1","","Carsten Strohmann; Stefan Dilsky; Katja Strohfeldt","Crystal Structures of [PhLi·(−)-sparteine]2, [PhOLi·(−)-sparteine]2, and the Mixed Aggregate [PhLi·PhOLi·2(−)-sparteine]","Organometallics","2006","25","","41","","10.1021/om050794w","","","","","","","","","","","","","","","","","","","","","has coordinates","178495","2020-10-21","18:00:00",""
"4060631","10.109","0.002","11.233","0.002","13.541","0.003","82.68","0.03","70.56","0.03","63.38","0.03","1295.8","0.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H25 Br2 N2 Ni O P -","- C29 H25 Br2 N2 Ni O P -","- C58 H50 Br4 N4 Ni2 O2 P2 -","2","1","","Hou, Junxian; Sun, Wen-Hua; Zhang, Shu; Ma, Hongwei; Deng, Yuan; Lu, Xiaoming","Synthesis and Characterization of Tridentate Nickel Complexes Bearing P∧N∧N and P∧N∧P Ligands and Their Catalytic Property in Ethylene Oligomerization","Organometallics","2006","25","1","236","244","10.1021/om0507979","","","","","","","","","","","","","","","","","","","","","has coordinates","219007","2020-10-21","18:00:00",""
"4060632","16.5092","0.0004","10.1035","0.0002","16.9507","0.0005","90","","104.781","0.001","90","","2733.82","0.12","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C30 H27 Br2 N2 Ni O P -","- C30 H27 Br2 N2 Ni O P -","- C120 H108 Br8 N8 Ni4 O4 P4 -","4","1","","Hou, Junxian; Sun, Wen-Hua; Zhang, Shu; Ma, Hongwei; Deng, Yuan; Lu, Xiaoming","Synthesis and Characterization of Tridentate Nickel Complexes Bearing P∧N∧N and P∧N∧P Ligands and Their Catalytic Property in Ethylene Oligomerization","Organometallics","2006","25","1","236","244","10.1021/om0507979","","","","","","","","","","","","","","","","","","","","","has coordinates","219007","2020-10-21","18:00:00",""
"4060633","11.298","0.002","11.879","0.002","14.045","0.003","91.99","0.03","97.91","0.03","114.07","0.03","1696.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H35 Br2 Cl2 N2 Ni P -","- C35 H35 Br2 Cl2 N2 Ni P -","- C70 H70 Br4 Cl4 N4 Ni2 P2 -","2","1","","Hou, Junxian; Sun, Wen-Hua; Zhang, Shu; Ma, Hongwei; Deng, Yuan; Lu, Xiaoming","Synthesis and Characterization of Tridentate Nickel Complexes Bearing P∧N∧N and P∧N∧P Ligands and Their Catalytic Property in Ethylene Oligomerization","Organometallics","2006","25","1","236","244","10.1021/om0507979","","","","","","","","","","","","","","","","","","","","","has coordinates","219007","2020-10-21","18:00:00",""
"4060634","11.4617","0.0017","28.609","0.004","12.1638","0.0018","90","","94.501","0.003","90","","3976.3","1","294","2","294","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C39.5 H35 Br2 Cl N Ni O0.5 P2 -","- C39.5 H35 Br2 Cl N Ni O0.5 P2 -","- C158 H140 Br8 Cl4 N4 Ni4 O2 P8 -","4","1","","Hou, Junxian; Sun, Wen-Hua; Zhang, Shu; Ma, Hongwei; Deng, Yuan; Lu, Xiaoming","Synthesis and Characterization of Tridentate Nickel Complexes Bearing P∧N∧N and P∧N∧P Ligands and Their Catalytic Property in Ethylene Oligomerization","Organometallics","2006","25","1","236","244","10.1021/om0507979","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219007","2020-10-21","18:00:00",""
"4060635","10.475","0.002","13.575","0.003","13.657","0.003","75.02","0.03","73.06","0.03","88.4","0.03","1792.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H31 Cl4 Co N P2 -","- C38 H31 Cl4 Co N P2 -","- C76 H62 Cl8 Co2 N2 P4 -","2","1","","Hou, Junxian; Sun, Wen-Hua; Zhang, Shu; Ma, Hongwei; Deng, Yuan; Lu, Xiaoming","Synthesis and Characterization of Tridentate Nickel Complexes Bearing P∧N∧N and P∧N∧P Ligands and Their Catalytic Property in Ethylene Oligomerization","Organometallics","2006","25","1","236","244","10.1021/om0507979","","","","","","","","","","","","","","","","","","","","","has coordinates","219007","2020-10-21","18:00:00",""
"4060659","9.587","0.007","11.231","0.006","15.06","0.01","70.75","0.04","81.86","0.05","87.92","0.04","1515.4","1.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30.5 H45 Al N4 O -","- C30.5 H45 Al N4 O -","- C61 H90 Al2 N8 O2 -","2","1","","Milione, Stefano; Grisi, Fabia; Centore, Roberto; Tuzi, Angela","Neutral and Cationic Heteroscorpionate Aluminum Complexes: Synthesis, Structure, and Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2006","25","1","266","274","10.1021/om050902e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219010","2020-10-21","18:00:00",""
"4060660","14.871","0.003","12.175","0.003","17.426","0.003","90","","109.73","0.02","90","","2969.8","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H45 Al N4 O -","- C29 H45 Al N4 O -","- C116 H180 Al4 N16 O4 -","4","1","","Milione, Stefano; Grisi, Fabia; Centore, Roberto; Tuzi, Angela","Neutral and Cationic Heteroscorpionate Aluminum Complexes: Synthesis, Structure, and Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2006","25","1","266","274","10.1021/om050902e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219010","2020-10-21","18:00:00",""
"4060661","9.43","0.002","9.479","0.002","19.711","0.004","100.72","0.02","91.81","0.02","104.6","0.02","1669.5","0.6","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H53 Al N4 O -","- C33 H53 Al N4 O -","- C66 H106 Al2 N8 O2 -","2","1","","Milione, Stefano; Grisi, Fabia; Centore, Roberto; Tuzi, Angela","Neutral and Cationic Heteroscorpionate Aluminum Complexes: Synthesis, Structure, and Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2006","25","1","266","274","10.1021/om050902e","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","219010","2020-10-21","18:00:00",""
"4060662","11.695","0.002","11.695","0.002","35.299","0.005","90","","90","","90","","4828","1.4","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C24 H12 B F15 N2 -","- C24 H12 B F15 N2 -","- C192 H96 B8 F120 N16 -","8","1","","Milione, Stefano; Grisi, Fabia; Centore, Roberto; Tuzi, Angela","Neutral and Cationic Heteroscorpionate Aluminum Complexes: Synthesis, Structure, and Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2006","25","1","266","274","10.1021/om050902e","","","","","","","","","","","","","","","","","","","","","has coordinates","219010","2020-10-21","18:00:00",""
"4060663","12.238","0.002","12.973","0.002","18.067","0.002","90","","126.37","0.01","90","","2309.6","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H8 B F15 N2 -","- C23 H8 B F15 N2 -","- C92 H32 B4 F60 N8 -","4","1","","Milione, Stefano; Grisi, Fabia; Centore, Roberto; Tuzi, Angela","Neutral and Cationic Heteroscorpionate Aluminum Complexes: Synthesis, Structure, and Ring-Opening Polymerization of ε-Caprolactone","Organometallics","2006","25","1","266","274","10.1021/om050902e","","","","","","","","","","","","","","","","","","","","","has coordinates","219010","2020-10-21","18:00:00",""
"4060889","13.299","0.003","14.064","0.003","14.392","0.003","90","","98.414","0.005","90","","2662.9","1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 Cl2 S2 Si Zr -","- C30 H26 Cl2 S2 Si Zr -","- C120 H104 Cl8 S8 Si4 Zr4 -","4","0.5","","Izmer, Vyatcheslav V.; Lebedev, Artyom Y.; Nikulin, Mikhail V.; Ryabov, Alexey N.; Asachenko, Andrei F.; Lygin, Alexander V.; Sorokin, Denis A.; Voskoboynikov, Alexander Z.","Palladium-Catalyzed Pathways to Aryl-Substituted Indenes: Efficient Synthesis of Ligands and the Respectiveansa-Zirconocenes","Organometallics","2006","25","5","1217","1229","10.1021/om050937e","","","0.71073","MoKα","","0.0712","0.0452","","","0.0917","0.1008","","","","","","1.023","","","","has coordinates,has disorder","209815","2020-10-21","18:00:00",""
"4060892","10.6796","0.0005","20.7933","0.0009","22.8821","0.001","90","","91.737","0.001","90","","5079","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60.95 H59.6 Cl O3.7 P Ru -","- C64.53 H61.74 Cl O2 P Ru -","- C258.12 H246.96 Cl4 O8 P4 Ru4 -","4","1","","Casey, Charles P.; Strotman, Neil A.; Beetner, Sharon E.; Johnson, Jeffrey B.; Priebe, David C.; Vos, Thomas E.; Khodavandi, Babak; Guzei, Ilia A.","The PPh3-Substituted Hydroxycyclopentadienyl Ruthenium Hydride [2,5-Ph2-3,4-Tol2(η5-C4COH)]Ru(CO)(PPh3)H Is a More Efficient Catalyst for Hydrogenation of Aldehydes","Organometallics","2006","25","5","1230","1235","10.1021/om0509387","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209882","2020-10-21","18:00:00",""
"4060893","10.8661","0.001","17.416","0.0015","22.728","0.002","81.676","0.001","89.139","0.001","83.601","0.001","4229.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C53.5 H45 O2 P Ru -","- C53.5 H44.5 O2 P Ru -","- C214 H178 O8 P4 Ru4 -","4","2","","Casey, Charles P.; Strotman, Neil A.; Beetner, Sharon E.; Johnson, Jeffrey B.; Priebe, David C.; Vos, Thomas E.; Khodavandi, Babak; Guzei, Ilia A.","The PPh3-Substituted Hydroxycyclopentadienyl Ruthenium Hydride [2,5-Ph2-3,4-Tol2(η5-C4COH)]Ru(CO)(PPh3)H Is a More Efficient Catalyst for Hydrogenation of Aldehydes","Organometallics","2006","25","5","1230","1235","10.1021/om0509387","","","","","","","","","","","","","","","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060894","11.012","0.003","13.278","0.004","18.598","0.005","97.026","0.006","99.2","0.007","98.692","0.005","2623.6","1.2","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H53 O4 P Ru -","- C57 H45 O4 P Ru -","- C114 H90 O8 P2 Ru2 -","2","1","","Casey, Charles P.; Strotman, Neil A.; Beetner, Sharon E.; Johnson, Jeffrey B.; Priebe, David C.; Vos, Thomas E.; Khodavandi, Babak; Guzei, Ilia A.","The PPh3-Substituted Hydroxycyclopentadienyl Ruthenium Hydride [2,5-Ph2-3,4-Tol2(η5-C4COH)]Ru(CO)(PPh3)H Is a More Efficient Catalyst for Hydrogenation of Aldehydes","Organometallics","2006","25","5","1230","1235","10.1021/om0509387","","","","","","","","","","","","","","","","","","","","","has coordinates","209883","2020-10-21","18:00:00",""
"4060895","11.8831","0.0018","20.523","0.003","21.063","0.003","90","","93.366","0.003","90","","5127.8","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C68 H54 O2 P2 Ru -","- C68 H54 O2 P2 Ru -","- C272 H216 O8 P8 Ru4 -","4","1","","Casey, Charles P.; Strotman, Neil A.; Beetner, Sharon E.; Johnson, Jeffrey B.; Priebe, David C.; Guzei, Ilia A.","PPh3-Substituted [2,5-Ph2-3,4-Tol2(η5-C4COH)]Ru(CO)(PPh3)H Exhibits Slower Stoichiometric Reduction, Faster Catalytic Hydrogenation, and Higher Chemoselectivity for Hydrogenation of Aldehydes over Ketones Than the Dicarbonyl Shvo Catalyst","Organometallics","2006","25","5","1236","1244","10.1021/om050939z","","","","","","","","","","","","","","","","","","","","","has coordinates","209884","2020-10-21","18:00:00",""
"4060896","12.2471","0.001","13.4125","0.0011","14.5482","0.0012","96.734","0.001","97.104","0.001","97.215","0.001","2331.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H48 N O2.5 P Ru -","- C55 H44 N O2 P Ru -","- C110 H88 N2 O4 P2 Ru2 -","2","1","","Casey, Charles P.; Strotman, Neil A.; Beetner, Sharon E.; Johnson, Jeffrey B.; Priebe, David C.; Guzei, Ilia A.","PPh3-Substituted [2,5-Ph2-3,4-Tol2(η5-C4COH)]Ru(CO)(PPh3)H Exhibits Slower Stoichiometric Reduction, Faster Catalytic Hydrogenation, and Higher Chemoselectivity for Hydrogenation of Aldehydes over Ketones Than the Dicarbonyl Shvo Catalyst","Organometallics","2006","25","5","1236","1244","10.1021/om050939z","","","","","","","","","","","","","","","","","","","","","has coordinates","209884","2020-10-21","18:00:00",""
"4060935","12.3139","0.0004","14.1247","0.0004","14.3103","0.0005","91.777","0.001","104.175","0.001","96.606","0.001","2392.66","0.13","","","","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H42 B F20 N3 Zr -","- C47 H42 B F20 N3 Zr -","- C94 H84 B2 F40 N6 Zr2 -","2","1","","Kissounko, Denis A.; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.","Chemoselective Deprotonations of a Cationic Zirconium Primary Amido Complex to Either a Neutral Zirconium Terminal Imido or a Noninterconverting Tautomer","Organometallics","2006","25","5","1076","1078","10.1021/om051007y","","","","","","0.0544","0.0401","","0.1165","0.1082","","","0.0275","1.045","","","","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4060942","10.171","0.0009","16.233","0.0018","19.984","0.002","90","0.005","104.394","0.004","90","0.005","3195.9","0.6","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H37 B N6 P Rh -","- C33 H37 B N6 P Rh -","- C132 H148 B4 N24 P4 Rh4 -","4","1","","Cao, Changsheng; Wang, Tongen; Patrick, Brian O.; Love, Jennifer A.","Orthometalation of Tp*Rh(PPh3)2: Implications for Catalytic Reactivity","Organometallics","2006","25","5","1321","1324","10.1021/om0510268","","","","","","","","","","","","","","","","","","","","","has coordinates","209915","2020-10-21","18:00:00",""
"4060943","19.701","0.002","13.16","0.001","29.07","0.003","90","","93.261","0.005","90","","7524.6","1.2","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C43 H46 B N6 O P Rh -","- C40.795 H43.795 B N6 O P Rh -","- C326.36 H350.36 B8 N48 O8 P8 Rh8 -","8","1","","Cao, Changsheng; Wang, Tongen; Patrick, Brian O.; Love, Jennifer A.","Orthometalation of Tp*Rh(PPh3)2: Implications for Catalytic Reactivity","Organometallics","2006","25","5","1321","1324","10.1021/om0510268","","","","","","","","","","","","","","","","","","","","","has coordinates","209915","2020-10-21","18:00:00",""
"4060944","9.5855","0.0012","12.3351","0.0014","16.064","0.002","76.493","0.004","80.728","0.004","87.572","0.004","1822.7","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H43 B N6 O2 P Rh -","- C38 H43 B N6 O2 P Rh -","- C76 H86 B2 N12 O4 P2 Rh2 -","2","1","","Cao, Changsheng; Wang, Tongen; Patrick, Brian O.; Love, Jennifer A.","Orthometalation of Tp*Rh(PPh3)2: Implications for Catalytic Reactivity","Organometallics","2006","25","5","1321","1324","10.1021/om0510268","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209915","2020-10-21","18:00:00",""
"4060945","24.564","0.019","13.982","0.01","22.082","0.017","90","","114.285","0.013","90","","6913","9","298","2","298","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37 H32 Br F5 N P Pd -","- C37 H32 Br F5 N P Pd -","- C296 H256 Br8 F40 N8 P8 Pd8 -","8","1","","Albéniz, Ana C.; Espinet, Pablo; Pérez-Mateo, Alberto; Nova, Ainara; Ujaque, Gregori","Formation of a Vinyliminium Palladium Complex by C‒C Coupling in Vinylcarbene Palladium Aryl Complexes","Organometallics","2006","25","5","1293","1297","10.1021/om051028s","","","","","","","","","","","","","","","","","","","","","has coordinates","209904","2020-10-21","18:00:00",""
"4060946","11.4482","0.0014","9.7122","0.0011","18.454","0.002","90","","101.959","0.003","90","","2007.3","0.4","302","2","302","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 B F9 N -","- C19 H17 B F9 N -","- C76 H68 B4 F36 N4 -","4","1","","Albéniz, Ana C.; Espinet, Pablo; Pérez-Mateo, Alberto; Nova, Ainara; Ujaque, Gregori","Formation of a Vinyliminium Palladium Complex by C‒C Coupling in Vinylcarbene Palladium Aryl Complexes","Organometallics","2006","25","5","1293","1297","10.1021/om051028s","","","","","","","","","","","","","","","","","","","","","has coordinates,has disorder","209904","2020-10-21","18:00:00",""
"4060947","32.26","0.006","10.656","0.002","22.798","0.005","90","","102.071","0.004","90","","7664","3","298","2","298","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Br Cl2 F5 N P Pd -","- C38 H34 Br Cl2 F5 N P Pd -","- C304 H272 Br8 Cl16 F40 N8 P8 Pd8 -","8","1","","Albéniz, Ana C.; Espinet, Pablo; Pérez-Mateo, Alberto; Nova, Ainara; Ujaque, Gregori","Formation of a Vinyliminium Palladium Complex by C‒C Coupling in Vinylcarbene Palladium Aryl Complexes","Organometallics","2006","25","5","1293","1297","10.1021/om051028s","","","","","","","","","","","","","","","","","","","","","has coordinates","209904","2020-10-21","18:00:00",""
"4063231","12.0127","0.0003","11.8443","0.0003","30.8127","0.0008","90","","96.916","0.001","90","","4352.2","0.2","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","[{MgCl(MesNPPh2CHPPh2NMes)}2].2(toluene)","","","- C100 H102 Cl2 Mg2 N4 P4 -","- C100 H102 Cl2 Mg2 N4 P4 -","- C200 H204 Cl4 Mg4 N8 P8 -","2","0.5","","Shabana A. Ahmed; Michael S. Hill; Peter B. Hitchcock","Synthesis and M-Cγ Hemilability of Group 2 Bis(phosphinimino)methanides","Organometallics","2006","25","2","394","402","10.1021/om050811h","","x-ray","0.71073","MoKα","","0.0755","0.0508","","","0.1052","0.1148","","","","","","1.058","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063232","30.8401","0.0002","30.8401","0.0002","10.2288","0.0001","90","","90","","90","","9728.73","0.13","173","2","173","2","","","","","","","synthesis as described","7","I -4","I -4","82","[MgCl(thf)(mesNPPh2CHPPh2Nmes)].toluene","","","- C54 H59 Cl Mg N2 O P2 -","- C54 H59 Cl Mg N2 O P2 -","- C432 H472 Cl8 Mg8 N16 O8 P16 -","8","1","","Shabana A. Ahmed; Michael S. Hill; Peter B. Hitchcock","Synthesis and M-Cγ Hemilability of Group 2 Bis(phosphinimino)methanides","Organometallics","2006","25","2","394","402","10.1021/om050811h","","x-ray","0.71073","MoKα","","0.047","0.038","","","0.0831","0.0873","","","","","","1.031","","","","has coordinates","201926","2020-10-21","18:00:00",""
"4063233","14.4977","0.0002","14.6883","0.0002","25.7312","0.0005","100.458","0.001","94.304","0.001","119.129","0.001","4620.91","0.13","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","[{K(MesNPPh2CHPPh2NMes)}2]. 3(toluene)","","","- C107 H110 K2 N4 P4 -","- C107 H94 K2 N4 P4 -","- C214 H188 K4 N8 P8 -","2","1","","Shabana A. Ahmed; Michael S. Hill; Peter B. Hitchcock","Synthesis and M-Cγ Hemilability of Group 2 Bis(phosphinimino)methanides","Organometallics","2006","25","2","394","402","10.1021/om050811h","","x-ray","0.71073","MoKα","","0.2117","0.1318","","","0.2732","0.306","","","","","","1.185","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4063234","13.0294","0.0002","13.3312","0.0002","25.5773","0.0004","100.566","0.001","92.303","0.001","118.149","0.001","3809.47","0.1","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","[Ba(MesNPPh2CHPPh2NMes)2].1/2(toluene)","","","- C89.5 H90 Ba N4 P4 -","- C89.5 H90 Ba N4 P4 -","- C179 H180 Ba2 N8 P8 -","2","1","","Shabana A. Ahmed; Michael S. Hill; Peter B. Hitchcock","Synthesis and M-Cγ Hemilability of Group 2 Bis(phosphinimino)methanides","Organometallics","2006","25","2","394","402","10.1021/om050811h","","x-ray","0.71073","MoKα","","0.0803","0.0471","","","0.0884","0.0979","","","","","","1.025","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063235","12.6861","0.0006","22.9406","0.0011","18.2982","0.001","90","","104.334","0.002","90","","5159.5","0.4","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","[Ca(thf){N(SiMe3)2}(MesNPPh2CHPPh2NMes)]","","","- C53 H69 Ca N3 O P2 Si2 -","- C53 H69 Ca N3 O P2 Si2 -","- C212 H276 Ca4 N12 O4 P8 Si8 -","4","1","","Shabana A. Ahmed; Michael S. Hill; Peter B. Hitchcock","Synthesis and M-Cγ Hemilability of Group 2 Bis(phosphinimino)methanides","Organometallics","2006","25","2","394","402","10.1021/om050811h","","x-ray","0.71073","MoKα","","0.1741","0.0892","","","0.1423","0.1722","","","","","","1.098","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063236","12.7105","0.0001","23.1523","0.0002","18.4217","0.0001","90","","104.566","0.003","90","","5246.85","0.07","173","2","173","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","[Sr(thf){N(SiMe3)2}(MesNPPh2CHPPh2NMes)]","","","- C53 H69 N3 O P2 Si2 Sr -","- C53 H69 N3 O P2 Si2 Sr -","- C212 H276 N12 O4 P8 Si8 Sr4 -","4","1","","Shabana A. Ahmed; Michael S. Hill; Peter B. Hitchcock","Synthesis and M-Cγ Hemilability of Group 2 Bis(phosphinimino)methanides","Organometallics","2006","25","2","394","402","10.1021/om050811h","","x-ray","0.71073","MoKα","","0.0558","0.0392","","","0.0819","0.0892","","","","","","1.022","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4063243","11.8543","0.0009","13.4082","0.0011","19.2254","0.0015","90","","90","","90","","3055.8","0.4","153","2","153","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C24 H34 B Cl2 N8 O4 P W -","- C24 H34 B Cl2 N8 O4 P W -","- C96 H136 B4 Cl8 N32 O16 P4 W4 -","4","1","","Kimberley C. Bassett; Fei You; Peter M. Graham; William H. Myers; Michal Sabat; W. Dean Harman","Furan [3 + 2] Dipolar Cycloadditions Promoted by a π-Basic Tungsten Metal Fragment","Organometallics","2006","25","2","435","439","10.1021/om0506926","","","0.71073","MoKα","","0.02","0.0187","","","0.0377","0.0378","","","","","","0.857","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063244","11.4958","0.0007","13.848","0.0008","17.6576","0.001","90","","90","","90","","2811","0.3","153","2","153","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 B Cl2 N8 O2 P W -","- C22 H32 B Cl2 N8 O2 P W -","- C88 H128 B4 Cl8 N32 O8 P4 W4 -","4","1","","Kimberley C. Bassett; Fei You; Peter M. Graham; William H. Myers; Michal Sabat; W. Dean Harman","Furan [3 + 2] Dipolar Cycloadditions Promoted by a π-Basic Tungsten Metal Fragment","Organometallics","2006","25","2","435","439","10.1021/om0506926","","","0.71073","MoKα","","0.0457","0.0375","","","0.0685","0.0702","","","","","","0.922","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063250","10.31","0.001","10.671","0.001","13.148","0.001","94.231","0.001","102.856","0.001","103.282","0.001","1360.6","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H29 Br N2 P2 -","- C31 H29 Br N2 P2 -","- C62 H58 Br2 N4 P4 -","2","1","","Leïla Boubekeur; Simon Ulmer; Louis Ricard; Nicolas Mézailles; Pascal Le Floch","A Stable Hydrido Amido Ruthenium Complex Bearing a Tridentate Iminophosphorane-Phosphine-Amine Ligand","Organometallics","2006","25","2","315","317","10.1021/om050738v","","","0.71069","MoKα","","0.0705","0.0405","","","0.09","0.1007","","","","","","1.013","","","","has coordinates","120119","2020-10-21","18:00:00",""
"4063251","23.324","0.001","27.387","0.001","14.28","0.001","90","","90.005","0.001","90","","9121.7","0.8","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H45 Cl4 N2 P3 Ru -","- C50 H45 Cl4 N2 P3 Ru -","- C400 H360 Cl32 N16 P24 Ru8 -","8","2","","Leïla Boubekeur; Simon Ulmer; Louis Ricard; Nicolas Mézailles; Pascal Le Floch","A Stable Hydrido Amido Ruthenium Complex Bearing a Tridentate Iminophosphorane-Phosphine-Amine Ligand","Organometallics","2006","25","2","315","317","10.1021/om050738v","","","0.71069","MoKα","","0.0673","0.0437","","","0.1063","0.1172","","","","","","1.014","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063252","10.593","","28.202","0.001","14.816","0.0011","90","","94.71","0.001","90","","4411.2","0.4","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C53 H40 N2 O P3 Ru -","- C49 H43 N2 P3 Ru -","- C196 H172 N8 P12 Ru4 -","4","1","","Leïla Boubekeur; Simon Ulmer; Louis Ricard; Nicolas Mézailles; Pascal Le Floch","A Stable Hydrido Amido Ruthenium Complex Bearing a Tridentate Iminophosphorane-Phosphine-Amine Ligand","Organometallics","2006","25","2","315","317","10.1021/om050738v","","","0.71069","MoKα","","0.0526","0.0392","","","0.1078","0.1135","","","","","","1.055","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063256","7.046","0.002","15.853","0.006","9.341","0.004","90","","104.46","0.02","90","","1010.3","0.6","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 B2 F10 K2 -","- C6 B2 F10 K2 -","- C24 B8 F40 K8 -","4","1","","Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood","Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors","Organometallics","2006","25","2","349","357","10.1021/om050764t","","","0.71073","MoKα","","0.05","0.031","","","0.0695","0.0899","","","","","","0.973","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063257","8.111","0.005","26.229","0.005","11.966","0.01","90","","90","","90","","2546","3","173","2","173","2","","","","","","","","7","C m c m","-C 2c 2","63","","","","- C8 H5 B2 F9 K N O -","- C8 H3 B2 F9 K N O -","- C64 H24 B16 F72 K8 N8 O8 -","8","0.5","","Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood","Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors","Organometallics","2006","25","2","349","357","10.1021/om050764t","","","0.71073","MoKα","","0.0723","0.0508","","","0.1365","0.152","","","","","","1.067","","","","has coordinates,has disorder","277847","2022-09-14","22:28:06",""
"4063258","9.537","0.0015","10.722","0.0007","17.0989","0.0012","73.417","0.005","82.369","0.003","71.803","0.002","1590.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H3 B2 F24 N -","- C32 H3 B2 F24 N -","- C64 H6 B4 F48 N2 -","2","1","","Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood","Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors","Organometallics","2006","25","2","349","357","10.1021/om050764t","","","0.71073","MoKα","","0.2128","0.0736","","","0.1704","0.2472","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063259","13.8512","0.001","13.3129","0.0008","20.046","0.002","90","","105.369","0.008","90","","3564.3","0.5","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H8 B2 Cl2 F24 N2 -","- C35 H8 B2 Cl2 F24 N2 -","- C140 H32 B8 Cl8 F96 N8 -","4","1","","Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood","Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors","Organometallics","2006","25","2","349","357","10.1021/om050764t","","","0.71073","MoKα","","0.0879","0.0466","","","0.0955","0.1156","","","","","","1.068","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063260","9.9667","0.0007","11.3162","0.0007","16.8523","0.0011","83.699","0.002","89.897","0.002","71.64","0.002","1792","0.2","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C40.5 H12 B2 F20 -","- C40.5 B2 F20 -","- C81 B4 F40 -","2","1","","Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood","Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors","Organometallics","2006","25","2","349","357","10.1021/om050764t","","","0.71073","MoKα","","0.0793","0.0643","","","0.1951","0.2118","","","","","","1.076","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063261","9.8508","0.0006","12.5539","0.0007","26.6988","0.0015","90","","95.59","0.002","90","","3286","0.3","160","2","160","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H11 B2 F20 N -","- C38.006 H3 B2 F20 N -","- C152.024 H12 B8 F80 N4 -","4","1","","Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood","Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors","Organometallics","2006","25","2","349","357","10.1021/om050764t","","","0.71073","MoKα","","0.1014","0.073","","","0.1601","0.1741","","","","","","1.168","","","","has coordinates,has disorder","178527","2020-10-21","18:00:00",""
"4063262","10.286","0.0002","14.5109","0.0003","20.4735","0.0005","90","","104.069","0.0008","90","","2964.19","0.11","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H8 B2 F20 O -","- C34 H8 B2 F20 O -","- C136 H32 B8 F80 O4 -","4","1","","Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood","Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors","Organometallics","2006","25","2","349","357","10.1021/om050764t","","","0.71073","MoKα","","0.0906","0.0418","","","0.0935","0.1137","","","","","","0.971","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4063263","9.0312","0.0003","12.3044","0.0004","16.8288","0.0006","90","","99.018","0.002","90","","1846.96","0.11","173","2","173","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C39 H18 B2 Cl2 F20 O2 -","- C39 H18 B2 Cl2 F20 O2 -","- C78 H36 B4 Cl4 F40 O4 -","2","0.5","","Preston A. Chase; Lee D. Henderson; Warren E. Piers; Masood Parvez; William Clegg; Mark R. J. Elsegood","Bifunctional Perfluoroaryl Boranes: Synthesis and Coordination Chemistry with Neutral Lewis Base Donors","Organometallics","2006","25","2","349","357","10.1021/om050764t","","","0.71069","MoKα","","0.0846","0.0523","","","0.1267","0.1494","","","","","","1.029","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063270","16.7551","0.0007","21.3806","0.0005","16.9183","0.0004","90","","90","","90","","6060.7","0.3","193","2","193","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C40 H36 Ti -","- C40 H36 Ti -","- C320 H288 Ti8 -","8","1","","Mira Diekmann; Geert Bockstiegel; Arne Lützen; Marion Friedemann; Wolfgang Saak; Detlev Haase; Rüdiger Beckhaus","Chiral Bis(η5:η1-pentafulvene)titanium Complexes","Organometallics","2006","25","2","339","348","10.1021/om050815m","","","0.71073","MoKα","","0.0724","0.0454","","","0.1176","0.1282","","","","","","0.996","","","","has coordinates,has disorder","178527","2020-10-21","18:00:00",""
"4063271","18.9376","0.0013","6.8725","0.0003","21.899","0.0016","90","","103.008","0.009","90","","2777","0.3","193","2","193","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 -","- C19 H20 -","- C152 H160 -","8","1","","Mira Diekmann; Geert Bockstiegel; Arne Lützen; Marion Friedemann; Wolfgang Saak; Detlev Haase; Rüdiger Beckhaus","Chiral Bis(η5:η1-pentafulvene)titanium Complexes","Organometallics","2006","25","2","339","348","10.1021/om050815m","","","0.71073","MoKα","","0.0842","0.0383","","","0.0762","0.087","","","","","","0.829","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063272","12.1107","0.0007","11.2973","0.0006","14.1304","0.0009","90","","109.87","0.007","90","","1818.2","0.2","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C48 H40 Ti -","- C48 H40 Ti -","- C96 H80 Ti2 -","2","1","","Mira Diekmann; Geert Bockstiegel; Arne Lützen; Marion Friedemann; Wolfgang Saak; Detlev Haase; Rüdiger Beckhaus","Chiral Bis(η5:η1-pentafulvene)titanium Complexes","Organometallics","2006","25","2","339","348","10.1021/om050815m","","","0.71073","MoKα","","0.0591","0.0416","","","0.0867","0.0917","","","","","","0.913","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063273","9.9273","0.0003","12.9692","0.0005","21.7517","0.0007","90","","93.293","0.003","90","","2795.89","0.16","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 Ti -","- C38 H40 Ti -","- C152 H160 Ti4 -","4","1","","Mira Diekmann; Geert Bockstiegel; Arne Lützen; Marion Friedemann; Wolfgang Saak; Detlev Haase; Rüdiger Beckhaus","Chiral Bis(η5:η1-pentafulvene)titanium Complexes","Organometallics","2006","25","2","339","348","10.1021/om050815m","","","0.71073","MoKα","","0.0741","0.0359","","","0.0633","0.0706","","","","","","0.841","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063274","10.8634","0.0005","11.7578","0.0005","16.4825","0.0009","71.487","0.005","81.618","0.006","63.231","0.005","1782.4","0.15","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H45 Cl2 Ti -","- C43 H45 Cl2 Ti -","- C86 H90 Cl4 Ti2 -","2","1","","Mira Diekmann; Geert Bockstiegel; Arne Lützen; Marion Friedemann; Wolfgang Saak; Detlev Haase; Rüdiger Beckhaus","Chiral Bis(η5:η1-pentafulvene)titanium Complexes","Organometallics","2006","25","2","339","348","10.1021/om050815m","","","0.71073","MoKα","","0.0427","0.0285","","","0.0691","0.0728","","","","","","0.943","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063275","8.1551","0.0003","15.8776","0.0007","34.2942","0.0014","90","","93.593","0.005","90","","4431.8","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C55 H50 Cl2 Ti -","- C55 H50 Cl2 Ti -","- C220 H200 Cl8 Ti4 -","4","1","","Mira Diekmann; Geert Bockstiegel; Arne Lützen; Marion Friedemann; Wolfgang Saak; Detlev Haase; Rüdiger Beckhaus","Chiral Bis(η5:η1-pentafulvene)titanium Complexes","Organometallics","2006","25","2","339","348","10.1021/om050815m","","","0.71073","MoKα","","0.0672","0.0412","","","0.0891","0.0973","","","","","","0.951","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063277","9.8687","0.001","11.046","0.0011","19.243","0.002","90","0.002","91.657","0.002","90","0.002","2096.7","0.4","150","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(Ru(Cp){OC(O-t-Bu)O}(eta3-PhCH-CH-CH2))[PF6]","","","- C19 H23 F6 O3 P Ru -","- C19 H23 F6.168 O3 P Ru -","- C76 H92 F24.672 O12 P4 Ru4 -","4","1","","Ignacio Fernández; René Hermatschweiler; Paul S. Pregosin; Alberto Albinati; Silvia Rizzato","Synthesis, X-ray Studies, and Catalytic Allylic Amination Reactions with Ruthenium(IV) Allyl Carbonate Complexes","Organometallics","2006","25","2","323","330","10.1021/om050749o","","","0.71073","MoKα","","0.0489","0.0353","","","0.0764","0.0829","","","","","","1.061","","","","has coordinates,has disorder","178527","2020-10-21","18:00:00",""
"4063284","12.7444","0.0012","11.987","0.0011","19.6856","0.0018","90","","95.124","0.002","90","","2995.3","0.5","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H40 Cl2 P2 Pd -","- C32 H39 Cl2 P2 Pd -","- C128 H156 Cl8 P8 Pd4 -","4","1","","Olga Grossman; Clarit Azerraf; Dmitri Gelman","Palladium Complexes Bearing Novel Strongly Bent Trans-Spanning Diphosphine Ligands: Synthesis, Characterization, and Catalytic Activity","Organometallics","2006","25","2","375","381","10.1021/om050906j","","","0.71073","MoKα","","0.0291","0.0254","","","0.0717","0.0732","","","","","","1.061","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063285","12.0089","0.0013","12.6271","0.0014","15.4198","0.0017","67.5","0.002","74.016","0.002","65.386","0.002","1945.1","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C39.5 H37.5 Cl6 P2 Pd -","- C39.346 H36 Cl6.037 P2 Pd -","- C78.692 H72 Cl12.074 P4 Pd2 -","2","1","","Olga Grossman; Clarit Azerraf; Dmitri Gelman","Palladium Complexes Bearing Novel Strongly Bent Trans-Spanning Diphosphine Ligands: Synthesis, Characterization, and Catalytic Activity","Organometallics","2006","25","2","375","381","10.1021/om050906j","","","0.71073","MoKα","","0.0376","0.0336","","","0.0925","0.0947","","","","","","1.064","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063286","15.3648","0.0009","22.1329","0.0012","14.2719","0.0008","90","","106.938","0.001","90","","4642.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H43 Cl13 P2 Pd2 -","- C35 H40 Cl13 P2 Pd2 -","- C140 H160 Cl52 P8 Pd8 -","4","1","","Olga Grossman; Clarit Azerraf; Dmitri Gelman","Palladium Complexes Bearing Novel Strongly Bent Trans-Spanning Diphosphine Ligands: Synthesis, Characterization, and Catalytic Activity","Organometallics","2006","25","2","375","381","10.1021/om050906j","","","0.71073","MoKα","","0.0543","0.0374","","","0.0892","0.0937","","","","","","0.966","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063292","8.7205","0.0017","17.585","0.005","16.137","0.002","90","","99.9","0.03","90","","2437.8","0.9","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Mo O4 P S2 W -","- C23 H21 Mo O4 P S2 W -","- C92 H84 Mo4 O16 P4 S8 W4 -","4","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","x-ray","0.71073","MoKα","","0.049","0.025","","","0.0561","0.0626","","","","","","1.026","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063293","9.9197","0.0003","18.2649","0.0005","29.1376","0.0008","90","","90","","90","","5279.2","0.3","298","2","298","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H50 Mo2 O8 P2 S4 W2 -","- C50 H50 Mo2 O8 P2 S4 W2 -","- C200 H200 Mo8 O32 P8 S16 W8 -","4","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","","0.71073","MoKα","","0.04","0.03","","","0.0762","0.1068","","","","","","1.038","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063294","9.8739","0.0017","9.9752","0.0017","18.173","0.005","91.74","0.017","102.363","0.019","107.076","0.014","1663","0.6","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C31 H33 Mo O5 P S2 W -","- C31 H33 Mo O5 P S2 W -","- C62 H66 Mo2 O10 P2 S4 W2 -","2","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","x-ray","0.71073","MoKα","","0.0609","0.0401","","","0.106","0.1162","","","","","","1.051","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063295","25.9712","0.0013","27.1377","0.0012","17.1272","0.0009","90","","90","","90","","12071.2","1","100","2","100","2","","","","","","","","7","F d d 2","F 2 -2d","43","","","","- C29 H33 Mo O4 P S2 W -","- C29 H33 Mo O4 P S2 W -","- C464 H528 Mo16 O64 P16 S32 W16 -","16","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S‒S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","","0.71073","MoKα","","0.0456","0.037","","","0.0919","0.1215","","","","","","1.393","","","","has coordinates","209984","2020-10-21","18:00:00",""
"4063296","8.9691","0.0008","18.7791","0.0014","15.62","0.002","90","","93.421","0.01","90","","2626.2","0.5","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 Mo O2 P S4 W -","- C23 H27 Mo O2 P S4 W -","- C92 H108 Mo4 O8 P4 S16 W4 -","4","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","x-ray","0.71073","MoKα","","0.0696","0.033","","","0.0777","0.0895","","","","","","1.038","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063297","9.1121","0.0015","18.788","0.005","18.277","0.004","90","0.014","102.191","0.013","90","0.012","3058.4","1.1","293","2","293","2","","","","","","","synthesis as described","7","P 1 21/n 1","-P 2yn","14","","","","- C27 H35 Mo O2 P S4 W -","- C27 H35 Mo O2 P S4 W -","- C108 H140 Mo4 O8 P4 S16 W4 -","4","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","x-ray","0.71073","MoKα","","0.0836","0.0337","","","0.078","0.092","","","","","","0.965","","","","has coordinates","178527","2020-10-21","18:00:00",""
"4063298","18.9631","0.0004","11.1271","0.0002","17.4508","0.0004","90","","108.382","0.001","90","","3494.31","0.13","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H43 Mo O2 P S4 W -","- C31 H43 Mo O2 P S4 W -","- C124 H172 Mo4 O8 P4 S16 W4 -","4","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","","0.71073","MoKα","","0.0626","0.0451","","","0.1148","0.1543","","","","","","1.304","","","","has coordinates,has disorder","178527","2020-10-21","18:00:00",""
"4063299","9.1712","0.0002","14.0212","0.0004","15.8563","0.0004","99.91","0.001","100.384","0.001","96.738","0.001","1952.37","0.09","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H51 Mo O2 P S4 W -","- C35 H51 Mo O2 P S4 W -","- C70 H102 Mo2 O4 P2 S8 W2 -","2","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","","0.71073","MoKα","","0.0727","0.0437","","","0.1085","0.1446","","","","","","1.134","","","","has coordinates,has disorder","178527","2020-10-21","18:00:00",""
"4063300","9.6076","0.001","11.7122","0.0019","18.346","0.002","76.47","0.012","82.437","0.01","72.56","0.012","1910.7","0.4","298","2","298","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C38.5 H38 Mo O3 P2 S3 W -","- C38.5 H34 Mo O3 P2 S3 W -","- C77 H68 Mo2 O6 P4 S6 W2 -","2","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","x-ray","0.71073","MoKα","","0.0634","0.0304","","","0.0701","0.08","","","","","","1.022","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063301","9.598","0.002","12.536","0.004","17.096","0.005","104.7","0.02","90.86","0.02","106.21","0.02","1902.3","0.9","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C38 H40 Mo O3 P2 S3 W -","- C38 H40 Mo O3 P2 S3 W -","- C76 H80 Mo2 O6 P4 S6 W2 -","2","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","x-ray","0.71073","MoKα","","0.0713","0.0362","","","0.0869","0.0991","","","","","","1.023","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063302","12.4867","0.0004","17.7135","0.0005","19.7659","0.0006","90","","90","","90","","4371.9","0.2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H52 Mo O3 P2 S3 W -","- C44 H52 Mo O3 P2 S3 W -","- C176 H208 Mo4 O12 P8 S12 W4 -","4","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","","0.71073","mokα","","0.0244","0.0209","","","0.0463","0.0468","","","","","","1.085","","","","has coordinates","189838","2020-10-21","18:00:00",""
"4063303","13.643","0.003","9.749","0.005","16.924","0.005","90","","112.97","0.02","90","","2072.4","1.2","293","2","293","2","","","","","","","synthesis as described","8","P 1 21 1","P 2yb","4","","","","- C36 H36 Cl2 Mo O3 P2 S2 W -","- C36 H36 Cl2 Mo O3 P2 S2 W -","- C72 H72 Cl4 Mo2 O6 P4 S4 W2 -","2","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","x-ray","0.71073","MoKα","","0.0422","0.0336","","","0.0802","0.0839","","","","","","1.033","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063304","9.721","0.003","11.854","0.005","12.338","0.003","83.09","0.03","84.05","0.02","87.81","0.03","1403.4","0.8","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C29 H33 Mo O2 P S2 W -","- C29 H33 Mo O2 P S2 W -","- C58 H66 Mo2 O4 P2 S4 W2 -","2","1","","Md. Munkir Hossain; Hsiu-Mei Lin; Jun Zhu; Zhenyang Lin; Shin-Guang Shyu","Activation of the S-S Bonds of Alkyl Disulfides RSSR (R =Me, Et, Pr, Bun) by Heterodinuclear Phosphido-Bridged CpW(CO)2(μ-PPh2)Mo(CO)5","Organometallics","2006","25","2","440","446","10.1021/om050689m","","x-ray","0.71073","MoKα","","0.021","0.0175","","","0.0437","0.0449","","","","","","1.059","","","","has coordinates","277847","2022-09-14","22:28:06",""
"4063305","6.4332","0.0015","8.6245","0.0015","9.584","0.002","79.85","0.02","71.86","0.02","68.32","0.02","468.47","0.17","293","2","293","2","","","","","","","","4","P -1","-P 1","2","1R(S),2S(R)-1,2-Bis(trichlorosilyl)-1,2-diphenylethane","","","- C7 H6 Cl3 Si -","- C7 H6 Cl3 Si -","- C14 H12 Cl6 Si2 -","2","1","","Seung-Hyun Kang; Joon Soo Han; Weon Cheol Lim; Il Nam Jung; Myong Euy Lee; Bok Ryul Yoo","Double Silylation of Olefin with HSiCl3 in the Presence of Bu4PCl. New Synthetic Method for α,β-Bis(trichlorosilyl)alkanes","Organometallics","2006","25","2","318","319","10.1021/om050880w","","","0.71073","MoKα","","0.0671","0.0667","","","0.1794","0.1798","","","","","","1.107","","","","has coordinates","120119","2020-10-21","18:00:00",""
"4063306","7.3377","0.0007","11.686","0.0013","13.4351","0.0016","66.42","0.012","85.705","0.013","86.313","0.012","1052.1","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H27 Fe N O Se -","- C23 H27 Fe N O Se -","- C46 H54 Fe2 N2 O2 Se2 -","2","1","","Sangit Kumar; Harkesh B. Singh; Gotthelf Wolmershäuser","Protection against Peroxynitrite-Mediated Nitration Reaction by Intramolecularly Coordinated Diorganoselenides","Organometallics","2006","25","2","382","393","10.1021/om050353c","","","0.71073","MoKα","","0.055","0.0343","","","0.0709","0.0774","","","","","","0.772","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063307","7.4339","0.0007","10.4051","0.0012","14.8043","0.0016","83.841","0.013","81.238","0.012","78.814","0.012","1106.7","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Fe N O Se -","- C24 H29 Fe N O Se -","- C48 H58 Fe2 N2 O2 Se2 -","2","1","","Sangit Kumar; Harkesh B. Singh; Gotthelf Wolmershäuser","Protection against Peroxynitrite-Mediated Nitration Reaction by Intramolecularly Coordinated Diorganoselenides","Organometallics","2006","25","2","382","393","10.1021/om050353c","","","0.71073","MoKα","","0.0839","0.0412","","","0.0876","0.0965","","","","","","0.824","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063308","7.6049","0.0006","12.2227","0.001","15.1327","0.0012","90.729","0.01","93.247","0.01","104.268","0.01","1360.53","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H39 Fe N O Se -","- C29 H39 Fe N O Se -","- C58 H78 Fe2 N2 O2 Se2 -","2","1","","Sangit Kumar; Harkesh B. Singh; Gotthelf Wolmershäuser","Protection against Peroxynitrite-Mediated Nitration Reaction by Intramolecularly Coordinated Diorganoselenides","Organometallics","2006","25","2","382","393","10.1021/om050353c","","","0.71073","MoKα","","0.0532","0.0339","","","0.0758","0.0804","","","","","","0.912","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063309","7.4118","0.0008","10.4149","0.0012","14.604","0.0017","83.639","0.014","81.266","0.013","79.564","0.012","1091.8","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H29 Fe N O S -","- C24 H29 Fe N O S -","- C48 H58 Fe2 N2 O2 S2 -","2","1","","Sangit Kumar; Harkesh B. Singh; Gotthelf Wolmershäuser","Protection against Peroxynitrite-Mediated Nitration Reaction by Intramolecularly Coordinated Diorganoselenides","Organometallics","2006","25","2","382","393","10.1021/om050353c","","","0.71073","MoKα","","0.0655","0.0509","","","0.1327","0.1421","","","","","","1.052","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063310","8.0669","0.0007","17.146","0.0018","19.849","0.002","91.56","0.013","90.312","0.012","98.494","0.012","2714.2","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H39 Fe N O S -","- C29 H39 Fe N O S -","- C116 H156 Fe4 N4 O4 S4 -","4","2","","Sangit Kumar; Harkesh B. Singh; Gotthelf Wolmershäuser","Protection against Peroxynitrite-Mediated Nitration Reaction by Intramolecularly Coordinated Diorganoselenides","Organometallics","2006","25","2","382","393","10.1021/om050353c","","","0.71073","MoKα","","0.1732","0.0577","","","0.1095","0.1399","","","","","","0.752","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063311","15.403","0.006","10.846","0.005","22.757","0.005","90","","105.33","0.02","90","","3666","2","200.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C40 H36 Mo O3 P2 Pt -","- C40 H35 Mo O3 P2 Pt -","- C160 H140 Mo4 O12 P8 Pt4 -","4","1","","Ayako Kuramoto; Kouhei Nakanishi; Tatsuya Kawabata; Nobuyuki Komine; Masafumi Hirano; Sanshiro Komiya","Palladium-Assisted Regioselective Olefin Insertion into and -Hydrogen Elimination of Hydrogen-Molybdenum and -Tungsten Bonds. Synthesis and Reactions of Heterodinuclear Hydrido Complexes of Palladium and Platinum with Molybdenum and Tungsten","Organometallics","2006","25","2","311","314","10.1021/om0506872","","","0.7107","MoKα","","","0.0994","","","","0.1465","","","","","","1.383","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063312","14.755","0.009","26.58","0.01","20.482","0.007","90","","99.16","0.04","90","","7930","6","240.2","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H34 Mo O3 P2 Pt -","- C36 H34 Mo O3 P2 Pt -","- C288 H272 Mo8 O24 P16 Pt8 -","8","2","","Ayako Kuramoto; Kouhei Nakanishi; Tatsuya Kawabata; Nobuyuki Komine; Masafumi Hirano; Sanshiro Komiya","Palladium-Assisted Regioselective Olefin Insertion into and -Hydrogen Elimination of Hydrogen-Molybdenum and -Tungsten Bonds. Synthesis and Reactions of Heterodinuclear Hydrido Complexes of Palladium and Platinum with Molybdenum and Tungsten","Organometallics","2006","25","2","311","314","10.1021/om0506872","","","0.7107","MoKα","","","0.0725","","","","0.115","","","","","","1.159","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063313","19.9767","0.0002","19.9099","0.0002","25.849","0.0002","90","","90","","90","","10281","0.2","295","","295","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C61 H52 N2 O2 P3 Re -","- C61 H52 N2 O2 P3 Re -","- C488 H416 N16 O16 P24 Re8 -","8","1","","Nicoletta Mantovani; Paola Bergamini; Andrea Marchi; Lorenza Marvelli; Roberto Rossi; Valerio Bertolasi; Valeria Ferretti; Isaac de los Rios; Maurizio Peruzzini","Synthesis of Heterocyclic Ligands by Diheterocyclization at the Rhenium(I) Allenylidene [(triphos)(CO)2Re{C=C=CPh2}](OSO2CF3). 1. Reactivity with Dipolar N,N-Heterocycles","Organometallics","2006","25","2","416","426","10.1021/om050663v","","","0.7107","MoKα","","0.0935","0.0426","","","0.0857","0.1176","","","","","","1.157","","","","has coordinates","178528","2020-10-21","18:00:00",""
"4063314","10.7561","0.0001","18.3415","0.0002","20.4445","0.0002","68.8734","0.0004","83.3823","0.0004","81.3935","0.0006","3711.66","0.06","295","","295","","","","","","","","","8","P -1","-P 1","2","","","","- C89 H76 B Cl2 N3 O2 P3 Re -","- C89 H76 B Cl2 N3 O2 P3 Re -","- C178 H152 B2 Cl4 N6 O4 P6 Re2 -","2","1","","Nicoletta Mantovani; Paola Bergamini; Andrea Marchi; Lorenza Marvelli; Roberto Rossi; Valerio Bertolasi; Valeria Ferretti; Isaac de los Rios; Maurizio Peruzzini","Synthesis of Heterocyclic Ligands by Diheterocyclization at the Rhenium(I) Allenylidene [(triphos)(CO)2Re{C=C=CPh2}](OSO2CF3). 1. Reactivity with Dipolar N,N-Heterocycles","Organometallics","2006","25","2","416","426","10.1021/om050663v","","","0.7107","MoKα","","0.0517","0.0354","","","0.076","0.0814","","","","","","1.032","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063315","13.6973","0.0002","14.306","0.0002","17.9666","0.0003","70.7666","0.0006","78.3629","0.0005","63.8146","0.0008","2976.36","0.08","295","","295","","","","","","","","","7","P -1","-P 1","2","","","","- C65 H58 Cl4 N2 O2 P3 Re -","- C65 H54 Cl4 N2 O2 P3 Re -","- C130 H108 Cl8 N4 O4 P6 Re2 -","2","1","","Nicoletta Mantovani; Paola Bergamini; Andrea Marchi; Lorenza Marvelli; Roberto Rossi; Valerio Bertolasi; Valeria Ferretti; Isaac de los Rios; Maurizio Peruzzini","Synthesis of Heterocyclic Ligands by Diheterocyclization at the Rhenium(I) Allenylidene [(triphos)(CO)2Re{C=C=CPh2}](OSO2CF3). 1. Reactivity with Dipolar N,N-Heterocycles","Organometallics","2006","25","2","416","426","10.1021/om050663v","","","0.7107","MoKα","","0.0682","0.0556","","","0.151","0.1657","","","","","","1.075","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063316","12.9736","0.0002","18.6676","0.0003","18.9829","0.0003","117.56","0.0007","107.345","0.0008","93.815","0.0009","3775.1","0.1","295","","295","","","","","","","","","8","P -1","-P 1","2","","","","- C89 H85 B N2 O4 P3 Re S -","- C89 H84 B N2 O4 P3 Re S -","- C178 H168 B2 N4 O8 P6 Re2 S2 -","2","1","","Nicoletta Mantovani; Paola Bergamini; Andrea Marchi; Lorenza Marvelli; Roberto Rossi; Valerio Bertolasi; Valeria Ferretti; Isaac de los Rios; Maurizio Peruzzini","Synthesis of Heterocyclic Ligands by Diheterocyclization at the Rhenium(I) Allenylidene [(triphos)(CO)2Re{C=C=CPh2}](OSO2CF3). 1. Reactivity with Dipolar N,N-Heterocycles","Organometallics","2006","25","2","416","426","10.1021/om050663v","","","0.7107","MoKα","","0.0706","0.0562","","","0.1422","0.1543","","","","","","1.189","","","","has coordinates","130149","2020-10-21","18:00:00",""
"4063317","13.7255","0.0002","14.2675","0.0002","17.4984","0.0003","71.042","0.0006","76.476","0.0007","61.324","0.0006","2830.74","0.08","295","","295","","","","","","","","","8","P -1","-P 1","2","","","","- C61.5 H53 Cl N2 O2 P3 Re S -","- C61.5 H53 Cl N2 O2 P3 Re S -","- C123 H106 Cl2 N4 O4 P6 Re2 S2 -","2","1","","Nicoletta Mantovani; Paola Bergamini; Andrea Marchi; Lorenza Marvelli; Roberto Rossi; Valerio Bertolasi; Valeria Ferretti; Isaac de los Rios; Maurizio Peruzzini","Synthesis of Heterocyclic Ligands by Diheterocyclization at the Rhenium(I) Allenylidene [(triphos)(CO)2Re{C=C=CPh2}](OSO2CF3). 1. Reactivity with Dipolar N,N-Heterocycles","Organometallics","2006","25","2","416","426","10.1021/om050663v","","","0.7107","MoKα","","0.0553","0.0443","","","0.1061","0.1137","","","","","","1.056","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063325","8.821","0.001","11.261","0.002","13.8","0.002","95.359","0.008","95.705","0.007","99.059","0.006","1338.7","0.3","223.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H33 F6 O3 P3 Pd -","- C18 H33 F6 O3 P3 Pd -","- C36 H66 F12 O6 P6 Pd2 -","2","1","","Seiji Ogo; Yoshitaka Takebe; Keiji Uehara; Takayuki Yamazaki; Hidetaka Nakai; Yoshihito Watanabe; Shunichi Fukuzumi","pH-Dependent C-C Coupling Reactions Catalyzed by Water-Soluble Palladacyclic Aqua Catalysts in Water","Organometallics","2006","25","2","331","338","10.1021/om0503592","","","0.7107","MoKα","","","0.0504","","","","0.1426","","","","","","1.148","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063326","11.47","0.004","13.402","0.005","14.227","0.005","70.71","0.01","76.78","0.01","74","0.01","1961","1","223.2","","","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H48 B2 F8 O6 P2 Pd2 -","- C26 H48 B2 F8 O6 P2 Pd2 -","- C52 H96 B4 F16 O12 P4 Pd4 -","2","1","","Seiji Ogo; Yoshitaka Takebe; Keiji Uehara; Takayuki Yamazaki; Hidetaka Nakai; Yoshihito Watanabe; Shunichi Fukuzumi","pH-Dependent C-C Coupling Reactions Catalyzed by Water-Soluble Palladacyclic Aqua Catalysts in Water","Organometallics","2006","25","2","331","338","10.1021/om0503592","","","0.7107","MoKα","","","0.0644","","","","0.1806","","","","","","1.151","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4063327","14.202","0.006","11.287","0.004","19.757","0.008","90","","101.497","0.006","90","","3103","2","223.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 Cl2 O2 P2 Pd2 -","- C26 H40 Cl2 O2 P2 Pd2 -","- C104 H160 Cl8 O8 P8 Pd8 -","4","1","","Seiji Ogo; Yoshitaka Takebe; Keiji Uehara; Takayuki Yamazaki; Hidetaka Nakai; Yoshihito Watanabe; Shunichi Fukuzumi","pH-Dependent C-C Coupling Reactions Catalyzed by Water-Soluble Palladacyclic Aqua Catalysts in Water","Organometallics","2006","25","2","331","338","10.1021/om0503592","","","0.7107","MoKα","","","0.0439","","","","0.0692","","","","","","0.85","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074110","12.2113","0.001","12.9698","0.001","14.6498","0.001","69.232","0.01","66.182","0.01","67.091","0.01","1900.8","0.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C30.5 H30 B9 Cl Cu Ir O5 P Re -","- C30.5 H30 B9 Cl Cu Ir O5 P Re -","- C61 H60 B18 Cl2 Cu2 Ir2 O10 P2 Re2 -","2","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters","Organometallics","2006","25","19","4452","","10.1021/om060418r","","","0.71073","MoKα","","0.0969","0.0881","","","0.2233","0.2309","","","","","","1.155","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074111","16.9819","0.0015","14.8312","0.0013","19.622","0.0015","90","","91.699","0.005","90","","4939.9","0.7","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C48 H50 B9 Cu2 Ir O3 P2 -","- C48 H50 B9 Cu2 Ir O3 P2 -","- C192 H200 B36 Cu8 Ir4 O12 P8 -","4","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters","Organometallics","2006","25","19","4452","","10.1021/om060418r","","","0.71073","MoKα","","0.04","0.0264","","","0.058","0.0627","","","","","","1.02","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074112","10.943","0.0012","13.5989","0.0014","14.2374","0.0018","106.139","0.006","109.551","0.006","103.083","0.006","1794.5","0.4","110","2","110","2","","","","","","","","9","P -1","-P 1","2","","","","- C30.5 H30 Au B9 Cl O5 P Re Rh -","- C30.5 H30 Au B9 Cl O5 P Re Rh -","- C61 H60 Au2 B18 Cl2 O10 P2 Re2 Rh2 -","2","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters","Organometallics","2006","25","19","4452","","10.1021/om060418r","","","0.71073","MoKα","","0.0596","0.0392","","","0.0842","0.0938","","","","","","0.993","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074113","13.2293","0.0007","18.9707","0.001","19.1492","0.0011","90","","100.396","0.002","90","","4727","0.4","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C45.5 H45 Au2 B9 Cl O2 P2 Rh -","- C45.5 H45 Au2 B9 Cl O2 P2 Rh -","- C182 H180 Au8 B36 Cl4 O8 P8 Rh4 -","4","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters","Organometallics","2006","25","19","4452","","10.1021/om060418r","","","0.71073","MoKα","","0.1224","0.0618","","","0.1022","0.1184","","","","","","1.027","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074114","18.467","0.003","17.1872","0.0014","19.797","0.002","90","","115.338","0.009","90","","5679","1.3","293","2","293","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C50 H47 Au2 B9 Cl4 Ir O5 P2 Re -","- C50 H47 Au2 B9 Cl4 Ir O5 P2 Re -","- C200 H188 Au8 B36 Cl16 Ir4 O20 P8 Re4 -","4","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters","Organometallics","2006","25","19","4452","","10.1021/om060418r","","","0.71073","MoKα","","0.0928","0.0531","","","0.1091","0.1243","","","","","","1.025","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074115","18.6109","0.0015","17.0445","0.0015","19.674","0.002","90","","115.685","0.003","90","","5624.2","0.9","110","2","110","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C53 H55 Au2 B9 O5 P2 Re Rh -","- C53 H55 Au2 B9 O5 P2 Re Rh -","- C212 H220 Au8 B36 O20 P8 Re4 Rh4 -","4","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters","Organometallics","2006","25","19","4452","","10.1021/om060418r","","","0.71073","MoKα","","0.1279","0.051","","","0.0776","0.0942","","","","","","0.952","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074116","12.7502","0.0005","13.0291","0.0005","20.5822","0.0009","89.977","0.002","78.276","0.002","83.68","0.002","3326.7","0.2","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C64 H60 Au3 B9 Cl2 Ir O2 P3 -","- C64 H60 Au3 B9 Cl2 Ir O2 P3 -","- C128 H120 Au6 B18 Cl4 Ir2 O4 P6 -","2","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters","Organometallics","2006","25","19","4452","","10.1021/om060418r","","","0.71073","MoKα","","0.0371","0.0269","","","0.0532","0.0568","","","","","","1.027","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074117","18.7506","0.0015","12.7722","0.0015","25.442","0.002","90","","94.055","0.004","90","","6077.8","1","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C63 H58 Au3 B9 O2 P3 Rh -","- C63 H58 Au3 B9 O2 P3 Rh -","- C252 H232 Au12 B36 O8 P12 Rh4 -","4","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 2. Synthesis and Structures of Hetero-tri- and -tetrametallic Clusters","Organometallics","2006","25","19","4452","","10.1021/om060418r","","","0.71073","MoKα","","0.1069","0.0522","","","0.0698","0.0838","","","","","","0.978","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074118","8.2976","0.0009","9.9888","0.0012","12.2401","0.0015","102.199","0.014","105.149","0.014","110.023","0.013","868","0.2","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","Tris-{1,3-di(methyl)imidazol-2-ylidene}nickel(0)","","- C15 H24 N6 Ni -","- C15 H24 N6 Ni -","- C30 H48 N12 Ni2 -","2","1","","Schaub, Thomas; Backes, Marc; Radius, Udo","Nickel(0) Complexes of N-Alkyl-Substituted N-Heterocyclic Carbenes and Their Use in the Catalytic Carbon−Carbon Bond Activation of Biphenylene","Organometallics","2006","25","17","4196","","10.1021/om0604223","","","0.71073","MoKα","","0.0492","0.0363","","","0.0916","0.0985","","","","","","1.033","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074119","19.5585","0.001","13.4766","0.0006","9.7786","0.0013","90","","90","","90","","2577.5","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","Bis-{1-methyl-3-isopropyl-imidazol-2-ylidene}(h2-diphenyl acethylene)nickel(0)","","- C28 H34 N4 Ni -","- C28 H34 N4 Ni -","- C112 H136 N16 Ni4 -","4","1","","Schaub, Thomas; Backes, Marc; Radius, Udo","Nickel(0) Complexes of N-Alkyl-Substituted N-Heterocyclic Carbenes and Their Use in the Catalytic Carbon−Carbon Bond Activation of Biphenylene","Organometallics","2006","25","17","4196","","10.1021/om0604223","","","0.71073","MoKα","","0.0666","0.0396","","","0.0728","0.0802","","","","","","0.982","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074120","11.706","0.002","9.935","0.002","19.644","0.004","90","","91.3","0.03","90","","2284","0.8","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Bis-{1,3-di(methyl)-imidazol-2-ylidene}(biphenylendiyl)nickel(0)","","- C23 H26 Cl2 N4 Ni -","- C23 H26 Cl2 N4 Ni -","- C92 H104 Cl8 N16 Ni4 -","4","1","","Schaub, Thomas; Backes, Marc; Radius, Udo","Nickel(0) Complexes of N-Alkyl-Substituted N-Heterocyclic Carbenes and Their Use in the Catalytic Carbon−Carbon Bond Activation of Biphenylene","Organometallics","2006","25","17","4196","","10.1021/om0604223","","","0.71073","MoKα","","0.1004","0.0449","","","0.0873","0.0986","","","","","","0.811","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074121","26.8026","0.0013","26.8026","0.0013","9.9436","0.0005","90","","90","","90","","7143.3","0.6","203","2","203","2","","","","","","","","2","I 41/a :2","-I 4ad","88","9,10 diphenyl phenanthrene","9,10-di(phanyl)phenanthrene","","- C26 H18 -","- C26 H18 -","- C416 H288 -","16","1","","Schaub, Thomas; Backes, Marc; Radius, Udo","Nickel(0) Complexes of N-Alkyl-Substituted N-Heterocyclic Carbenes and Their Use in the Catalytic Carbon−Carbon Bond Activation of Biphenylene","Organometallics","2006","25","17","4196","","10.1021/om0604223","","","0.71073","MoKα","","0.0969","0.046","","","0.0963","0.1151","","","","","","0.947","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074122","15.974","0.003","16.264","0.003","21.793","0.004","98.42","0.03","91.06","0.03","90.03","0.03","5599.8","1.8","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","Bis-{1,3-di(isopropyl)-imidazol-2-ylidene}(h2-dimethyl acethylene)nickel(0)","","- C22 H38 N4 Ni -","- C22 H38 N4 Ni -","- C176 H304 N32 Ni8 -","8","4","","Schaub, Thomas; Backes, Marc; Radius, Udo","Nickel(0) Complexes of N-Alkyl-Substituted N-Heterocyclic Carbenes and Their Use in the Catalytic Carbon−Carbon Bond Activation of Biphenylene","Organometallics","2006","25","17","4196","","10.1021/om0604223","","","0.71073","MoKα","","0.1433","0.1003","","","0.2691","0.3106","","","","","","1.04","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074123","11.041","0.004","14.857","0.005","13.732","0.005","90","","110.5","0.05","90","","2109.9","1.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Ni -","- C14 H14 Ni -","- C112 H112 Ni8 -","8","2","","Buchowicz, Włodzimierz; Jerzykiewicz, Lucjan B.; Krasińska, Anna; Losi, Serena; Pietrzykowski, Antoni; Zanello, Piero","ansa-Nickelocenes by the Ring-Closing Metathesis Route: Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","21","5076","","10.1021/om060423v","","","0.71073","MoKα","","0.0844","0.0352","","","0.0833","0.0981","","","","","","0.956","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074124","16.487","0.005","7.617","0.004","10.6","0.004","90","","108.05","0.03","90","","1265.7","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 Ni2 -","- C32 H36 Ni2 -","- C64 H72 Ni4 -","2","0.5","","Buchowicz, Włodzimierz; Jerzykiewicz, Lucjan B.; Krasińska, Anna; Losi, Serena; Pietrzykowski, Antoni; Zanello, Piero","ansa-Nickelocenes by the Ring-Closing Metathesis Route: Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","21","5076","","10.1021/om060423v","","","0.71073","MoKα","","0.0507","0.04","","","0.1005","0.1026","","","","","","1.222","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074125","9.197","0.003","9.923","0.004","20.785","0.004","90","","90","","90","","1896.9","1","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","chloro-methyl-(2,2-bis[(4S)-(4,5-dihydro)-4-(1-methylethyl)‒1,3- oxazol-2yl]propane,N,N')-palladium(II)","","- C16 H29 Cl N2 O2 Pd -","- C16 H29 Cl N2 O2 Pd -","- C64 H116 Cl4 N8 O8 Pd4 -","4","1","","Schätz, Alexander; Scarel, Alessandro; Zangrando, Ennio; Mosca, Luca; Carfagna, Carla; Gissibl, Anja; Milani, Barbara; Reiser, Oliver","High Stereocontrol and Efficiency in CO/Styrene Polyketone Synthesis Promoted by Azabis(oxazoline)−Palladium Complexes","Organometallics","2006","25","17","4065","","10.1021/om060424n","","","0.71073","Mokα","","0.0556","0.0349","","","0.0691","0.0743","","","","","","0.981","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074126","9.944","0.003","11.18","0.003","16.186","0.005","90","","90","","90","","1799.5","0.9","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","chloro-methyl-bis[(4S)-(4,5-dihydro)-4-(1-methylethyl)- -1,3-oxazol-2yl,N,N']methylamine-palladium(II)","","- C14 H26 Cl N3 O2 Pd -","- C14 H26 Cl N3 O2 Pd -","- C56 H104 Cl4 N12 O8 Pd4 -","4","1","","Schätz, Alexander; Scarel, Alessandro; Zangrando, Ennio; Mosca, Luca; Carfagna, Carla; Gissibl, Anja; Milani, Barbara; Reiser, Oliver","High Stereocontrol and Efficiency in CO/Styrene Polyketone Synthesis Promoted by Azabis(oxazoline)−Palladium Complexes","Organometallics","2006","25","17","4065","","10.1021/om060424n","","","0.71073","Mokα","","0.0681","0.0512","","","0.1283","0.1357","","","","","","0.95","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074127","9.361","0.001","19.117","0.001","34.323","0.001","90","","95.72","0.01","90","","6111.7","0.8","198","2","198","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Zr -","- C26 H28 Zr -","- C312 H336 Zr12 -","12","3","","Chen, Liyi; Nie, Wan-Li; Paradies, Jan; Kehr, Gerald; Fröhlich, Roland; Wedeking, Katrin; Erker, Gerhard","Insertion Reactions at Cyclobutylene-Bridgedansa-Metallocene Complexes: A Quest for the Influence of Covering Phenylene Units","Organometallics","2006","25","22","5333","","10.1021/om0604268","","","0.71073","MoKα","","0.0716","0.0409","","","0.0879","0.0976","","","","","","1.039","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074128","14.611","0.001","9.583","0.001","18.948","0.001","90","","90.62","0.01","90","","2652.9","0.4","198","2","198","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 Zr -","- C36 H32 Zr -","- C144 H128 Zr4 -","4","1","","Chen, Liyi; Nie, Wan-Li; Paradies, Jan; Kehr, Gerald; Fröhlich, Roland; Wedeking, Katrin; Erker, Gerhard","Insertion Reactions at Cyclobutylene-Bridgedansa-Metallocene Complexes: A Quest for the Influence of Covering Phenylene Units","Organometallics","2006","25","22","5333","","10.1021/om0604268","","","0.71073","MoKα","","0.0784","0.0508","","","0.107","0.117","","","","","","1.02","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074129","16.358","0.001","19.86","0.001","16.023","0.001","90","","93.6","0.01","90","","5195.1","0.5","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H37 N Zr -","- C31 H37 N Zr -","- C248 H296 N8 Zr8 -","8","2","","Chen, Liyi; Nie, Wan-Li; Paradies, Jan; Kehr, Gerald; Fröhlich, Roland; Wedeking, Katrin; Erker, Gerhard","Insertion Reactions at Cyclobutylene-Bridgedansa-Metallocene Complexes: A Quest for the Influence of Covering Phenylene Units","Organometallics","2006","25","22","5333","","10.1021/om0604268","","","0.71073","MoKα","","0.0471","0.04","","","0.1073","0.1132","","","","","","0.992","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074130","18.133","0.001","18.133","0.001","15.654","0.001","90","","90","","120","","4457.5","0.4","198","2","198","2","","","","","","","","5","P -3","-P 3","147","","","","- C38.33 H35.33 N0.22 O Zr -","- C38.34 H35.35 N0.223333 O Zr -","- C230.04 H212.1 N1.34 O6 Zr6 -","6","1","","Chen, Liyi; Nie, Wan-Li; Paradies, Jan; Kehr, Gerald; Fröhlich, Roland; Wedeking, Katrin; Erker, Gerhard","Insertion Reactions at Cyclobutylene-Bridgedansa-Metallocene Complexes: A Quest for the Influence of Covering Phenylene Units","Organometallics","2006","25","22","5333","","10.1021/om0604268","","","0.71073","MoKα","","0.0611","0.0403","","","0.0922","0.1002","","","","","","1.043","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074131","14.7241","0.0012","6.7216","0.0004","18.7794","0.0015","90","","108.099","0.007","90","","1766.6","0.2","140","2","140","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Compound 1","","","- C19 H8 F10 Zn -","- C19 H8 F10 Zn -","- C76 H32 F40 Zn4 -","4","1","","Guerrero, Antonio; Martin, Eddy; Hughes, David L.; Kaltsoyannis, Nikolas; Bochmann, Manfred","Zinc(II) η1- and η2-Toluene Complexes: Structure and Bonding in Zn(C6F5)2·(toluene) and Zn(C6F4-2-C6F5)2·(toluene)","Organometallics","2006","25","14","3311","","10.1021/om060429k","","","0.71073","Mo-Kα","","0.0329","0.0235","","","0.0615","0.0635","","","","","","1.053","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074132","10.5464","0.0012","11.5033","0.0012","12.2157","0.0016","78.844","0.01","77.811","0.01","74.448","0.01","1380.7","0.3","180","1","180","1","","","","","","","","4","P -1","-P 1","2","Compound 2","","","- C31 H8 F18 Zn -","- C31 H8 F18 Zn -","- C62 H16 F36 Zn2 -","2","1","","Guerrero, Antonio; Martin, Eddy; Hughes, David L.; Kaltsoyannis, Nikolas; Bochmann, Manfred","Zinc(II) η1- and η2-Toluene Complexes: Structure and Bonding in Zn(C6F5)2·(toluene) and Zn(C6F4-2-C6F5)2·(toluene)","Organometallics","2006","25","14","3311","","10.1021/om060429k","","","0.71073","Mo-Kα","","0.0552","0.0374","","","0.0861","0.0908","","","","","","0.933","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074133","14.01","0.007","25.638","0.016","15.42","0.009","90","","94.33","0.03","90","","5523","5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C46 H47 B2 F24 P3 Ru -","- C46 H47 B2 F24 P3 Ru -","- C184 H188 B8 F96 P12 Ru4 -","4","1","","Kawano, Yasuro; Hashiva, Masahiro; Shimoi, Mamoru","Syntheses and Reactivity of Cationic Borane−Ruthenium Complexes [(η5-C5R5)Ru(PMe3)2(η1-BH3·EMe3)][BArf4] (R = H, Me; E = N, P; BArf4= [B{3,5-C6H3(CF3)2}4])","Organometallics","2006","25","18","4420","","10.1021/om0604324","","","0.71075","MoKα","","0.0691","0.0486","","0.1494","0.138","","","","1.009","1.117","1.117","","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074134","12.668","0.003","12.786","0.003","37.507","0.006","90","","100.204","0.007","90","","5979","2","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H57 B2 F24 P3 Ru -","- C51 H57 B2 F24 P3 Ru -","- C204 H228 B8 F96 P12 Ru4 -","4","1","","Kawano, Yasuro; Hashiva, Masahiro; Shimoi, Mamoru","Syntheses and Reactivity of Cationic Borane−Ruthenium Complexes [(η5-C5R5)Ru(PMe3)2(η1-BH3·EMe3)][BArf4] (R = H, Me; E = N, P; BArf4= [B{3,5-C6H3(CF3)2}4])","Organometallics","2006","25","18","4420","","10.1021/om0604324","","","0.71075","MoKα","","0.1036","0.0619","","","0.1547","0.1795","","","","","","1.029","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074135","13.281","0.004","13.699","0.004","15.245","0.004","90.169","0.011","106.835","0.012","95.719","0.011","2640.1","1.3","153","2","153","2","","","","","","","","7","P -1","-P 1","2","","","","- C46 H47 B2 F24 N P2 Ru -","- C46 H47 B2 F24 N P2 Ru -","- C92 H94 B4 F48 N2 P4 Ru2 -","2","1","","Kawano, Yasuro; Hashiva, Masahiro; Shimoi, Mamoru","Syntheses and Reactivity of Cationic Borane−Ruthenium Complexes [(η5-C5R5)Ru(PMe3)2(η1-BH3·EMe3)][BArf4] (R = H, Me; E = N, P; BArf4= [B{3,5-C6H3(CF3)2}4])","Organometallics","2006","25","18","4420","","10.1021/om0604324","","","0.71075","MoKα","","0.0421","0.0348","","","0.1019","0.111","","","","","","1.057","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074136","11.0537","0.0011","14.0758","0.0015","14.711","0.0014","90","","98.25","0.012","90","","2265.2","0.4","180","2","180","","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H4 B2 F30 N4 -","- C48 H4 B2 F30 N4 -","- C96 H8 B4 F60 N8 -","2","0.5","","Choukroun, Robert; Lorber, Christian; de Caro, Dominique; Vendier, Laure","B(C6F5)3Adducts of TCNE− and TCNQ−Vanadium Complexes as New Building Blocks for Molecule-Based Magnets","Organometallics","2006","25","18","4243","","10.1021/om060433w","","","","MoKα","","0.132","0.0593","","","0.1654","0.1895","","","","","","1.001","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074137","13.93","0.002","15.254","0.0018","16.058","0.002","88.542","0.01","79.395","0.013","82.774","0.012","3327.2","0.8","180","","180","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C70 H28 B2 F30 N4 O0.5 V2 -","- C70 H28 B2 F30 N4 O0.5 V2 -","- C140 H56 B4 F60 N8 O V4 -","2","1","","Choukroun, Robert; Lorber, Christian; de Caro, Dominique; Vendier, Laure","B(C6F5)3Adducts of TCNE− and TCNQ−Vanadium Complexes as New Building Blocks for Molecule-Based Magnets","Organometallics","2006","25","18","4243","","10.1021/om060433w","","","0.71073","MoKα","","0.1237","0.057","","","0.1388","0.1588","","","","","","0.927","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074138","10.1253","0.0012","15.1603","0.0015","22.893","0.002","87.206","0.008","83.185","0.009","82.498","0.009","3457.5","0.6","180","","180","","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C76 H36 B2 F30 N4 V2 -","- C76 H36 B2 F30 N4 V2 -","- C152 H72 B4 F60 N8 V4 -","2","1","","Choukroun, Robert; Lorber, Christian; de Caro, Dominique; Vendier, Laure","B(C6F5)3Adducts of TCNE− and TCNQ−Vanadium Complexes as New Building Blocks for Molecule-Based Magnets","Organometallics","2006","25","18","4243","","10.1021/om060433w","","","","MoKα","","0.1145","0.0545","","","0.1257","0.1485","","","","","","0.878","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074139","14.014","0.002","14.414","0.002","16.177","0.003","68.269","0.015","85.017","0.012","80.614","0.013","2993.6","0.9","180","","180","","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C120 H52 B4 F60 N8 O4 V2 -","- C120 H52 B4 F60 N8 O4 V2 -","- C120 H52 B4 F60 N8 O4 V2 -","1","0.5","","Choukroun, Robert; Lorber, Christian; de Caro, Dominique; Vendier, Laure","B(C6F5)3Adducts of TCNE− and TCNQ−Vanadium Complexes as New Building Blocks for Molecule-Based Magnets","Organometallics","2006","25","18","4243","","10.1021/om060433w","","","","MoKα","","0.2305","0.0797","","","0.1618","0.225","","","","","","0.896","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074140","20.333","0.001","13.0569","0.0007","19.096","0.001","90","","102.624","0.001","90","","4947.2","0.4","153","2","153","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C15 H23 B F3 N8 O4 P S W -","- C15 H23 B F3 N8 O4 P S W -","- C120 H184 B8 F24 N64 O32 P8 S8 W8 -","8","2","","Lis, Jr., Edward C.; Delafuente, David A.; Lin, Yunqing; Mocella, Christopher J.; Todd, Michael A.; Liu, Weijun; Sabat, Michal; Myers, William H.; Harman, W. Dean","The Uncommon Reactivity of Dihapto-Coordinated Nitrile, Ketone, and Alkene Ligands When Bound to a Powerful π-Base","Organometallics","2006","25","21","5051","5058","10.1021/om060434o","","","0.71073","MoKα","","0.0381","0.0311","","","0.0774","0.079","","","","","","0.968","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074141","7.9609","0.0004","13.6846","0.0007","24.5781","0.0013","90","","93.831","0.001","90","","2671.6","0.2","153","2","153","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 B F3 Mo N9 O5 S -","- C18 H25 B F3 Mo N9 O5 S -","- C72 H100 B4 F12 Mo4 N36 O20 S4 -","4","1","","Lis, Jr., Edward C.; Delafuente, David A.; Lin, Yunqing; Mocella, Christopher J.; Todd, Michael A.; Liu, Weijun; Sabat, Michal; Myers, William H.; Harman, W. Dean","The Uncommon Reactivity of Dihapto-Coordinated Nitrile, Ketone, and Alkene Ligands When Bound to a Powerful π-Base","Organometallics","2006","25","21","5051","5058","10.1021/om060434o","","","0.71073","MoKα","","0.0609","0.0447","","","0.1012","0.1077","","","","","","1.043","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074142","10.0685","0.0006","7.6424","0.0005","17.0127","0.001","90","","99.351","0.001","90","","1291.69","0.14","153","2","153","2","","","","","","","","7","P 1 n 1","P -2yac","7","","","","- C22 H26 B Br Mo N10 O -","- C22 H26 B Br Mo N10 O -","- C44 H52 B2 Br2 Mo2 N20 O2 -","2","1","","Lis, Jr., Edward C.; Delafuente, David A.; Lin, Yunqing; Mocella, Christopher J.; Todd, Michael A.; Liu, Weijun; Sabat, Michal; Myers, William H.; Harman, W. Dean","The Uncommon Reactivity of Dihapto-Coordinated Nitrile, Ketone, and Alkene Ligands When Bound to a Powerful π-Base","Organometallics","2006","25","21","5051","5058","10.1021/om060434o","","","0.71073","MoKα","","0.0325","0.0313","","","0.0759","0.0766","","","","","","1.074","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074143","18.2222","0.0011","9.7499","0.0006","15.4929","0.001","90","","90","","90","","2752.5","0.3","153","2","153","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C22 H31 B Br N8 O P W -","- C22 H31 B Br N8 O P W -","- C88 H124 B4 Br4 N32 O4 P4 W4 -","4","1","","Lis, Jr., Edward C.; Delafuente, David A.; Lin, Yunqing; Mocella, Christopher J.; Todd, Michael A.; Liu, Weijun; Sabat, Michal; Myers, William H.; Harman, W. Dean","The Uncommon Reactivity of Dihapto-Coordinated Nitrile, Ketone, and Alkene Ligands When Bound to a Powerful π-Base","Organometallics","2006","25","21","5051","5058","10.1021/om060434o","","","0.71073","MoKα","","0.0513","0.037","","","0.0748","0.0779","","","","","","0.937","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074144","11.167","0.002","6.579","0.001","11.698","0.002","90","","109.232","0.005","90","","811.5","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 I Mn O6 -","- C14 H14 I Mn O6 -","- C28 H28 I2 Mn2 O12 -","2","1","","Ferber, Benoît; Top, Siden; Vessières, Anne; Welter, Richard; Jaouen, Gérard","Synthesis of Optically Pureo-Formylcyclopentadienyl Metal Complexes of 17α-Ethynylestradiol. Recognition of the Planar Chirality by the Estrogen Receptor","Organometallics","2006","25","24","5730","","10.1021/om060438t","","","0.71069","MoKα","","0.0295","0.0275","","","0.0839","0.0935","","","","","","1.022","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074145","9.409","0.001","13.163","0.003","20.138","0.003","90","","90","","90","","2494.1","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Fe O3 -","- C31 H32 Fe O3 -","- C124 H128 Fe4 O12 -","4","1","","Ferber, Benoît; Top, Siden; Vessières, Anne; Welter, Richard; Jaouen, Gérard","Synthesis of Optically Pureo-Formylcyclopentadienyl Metal Complexes of 17α-Ethynylestradiol. Recognition of the Planar Chirality by the Estrogen Receptor","Organometallics","2006","25","24","5730","","10.1021/om060438t","","","0.71069","MoKα","","0.0775","0.0416","","","0.0939","0.1032","","","","","","0.941","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074146","13.403","0.002","26.561","0.004","18.492","0.003","90","","106.155","0.003","90","","6323.1","1.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Ni(η^3^-Allyl)(CH~3~CN)(κ^1^-C~3~H~2~N~2~(Ph^i^Pr~2~)~2~].BAr^F^~4~","","- C64 H56 B F24 N3 Ni -","- C64 H56 B F24 N3 Ni -","- C256 H224 B4 F96 N12 Ni4 -","4","1","","Cámpora, Juan; Ortiz de la Tabla, Laura; Palma, Pilar; Álvarez, Eleuterio; Lahoz, Fernando; Mereiter, Kurt","Synthesis and Catalytic Activity of Cationic Allyl Complexes of Nickel Stabilized by a Single N-Heterocyclic Carbene Ligand","Organometallics","2006","25","14","3314","","10.1021/om060439l","","","0.71073","MoKα","","0.0679","0.047","","","0.1117","0.1317","","","","","","1.086","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074147","18.194","0.002","12.0772","0.0016","21.616","0.003","90","","90.556","0.003","90","","4749.5","1.1","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 B F24 N3 Ni -","- C44 H32 B F24 N3 Ni -","- C176 H128 B4 F96 N12 Ni4 -","4","1","","Cámpora, Juan; Ortiz de la Tabla, Laura; Palma, Pilar; Álvarez, Eleuterio; Lahoz, Fernando; Mereiter, Kurt","Synthesis and Catalytic Activity of Cationic Allyl Complexes of Nickel Stabilized by a Single N-Heterocyclic Carbene Ligand","Organometallics","2006","25","14","3314","","10.1021/om060439l","","","0.6894","synchrotron","","0.0661","0.0563","","","0.1536","0.1629","","","","","","1.056","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074148","9.2864","0.0004","12.4236","0.0008","15.9816","0.001","90.425","0.002","93.094","0.002","107.684","0.002","1753.57","0.18","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H47 Fe N3 -","- C43 H47 Fe N3 -","- C86 H94 Fe2 N6 -","2","1","","Archer, Andrew M.; Bouwkamp, Marco W.; Cortez, Maria-Patricia; Lobkovsky, Emil; Chirik, Paul J.","Arene Coordination in Bis(imino)pyridine Iron Complexes: Identification of Catalyst Deactivation Pathways in Iron-Catalyzed Hydrogenation and Hydrosilation","Organometallics","2006","25","18","4269","","10.1021/om060441c","","","0.71073","MoKα","","0.0477","0.0361","","","0.0956","0.1024","","","","","","1.021","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074149","11.6996","0.0018","13.064","0.0019","25.007","0.004","90","","98.013","0.004","90","","3784.8","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H47 Fe N7 -","- C43 H47 Fe N7 -","- C172 H188 Fe4 N28 -","4","1","","Archer, Andrew M.; Bouwkamp, Marco W.; Cortez, Maria-Patricia; Lobkovsky, Emil; Chirik, Paul J.","Arene Coordination in Bis(imino)pyridine Iron Complexes: Identification of Catalyst Deactivation Pathways in Iron-Catalyzed Hydrogenation and Hydrosilation","Organometallics","2006","25","18","4269","","10.1021/om060441c","","","0.71073","MoKα","","0.1361","0.0515","","","0.1001","0.1303","","","","","","0.963","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074150","14.1002","0.0005","11.0839","0.0005","27.5264","0.001","90","","109.464","0.002","90","","4056.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C48 H59 Fe N3 -","- C48 H59 Fe N3 -","- C192 H236 Fe4 N12 -","4","1","","Archer, Andrew M.; Bouwkamp, Marco W.; Cortez, Maria-Patricia; Lobkovsky, Emil; Chirik, Paul J.","Arene Coordination in Bis(imino)pyridine Iron Complexes: Identification of Catalyst Deactivation Pathways in Iron-Catalyzed Hydrogenation and Hydrosilation","Organometallics","2006","25","18","4269","","10.1021/om060441c","","","0.71073","MoKα","","0.0689","0.0447","","","0.1142","0.1288","","","","","","1.023","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074151","38.6251","0.0016","38.6251","0.0016","15.0965","0.0006","90","","90","","120","","19505","1.4","100","2","100","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C42 H36 Cl O12 P2 Rh -","- C42 H36 Cl O12 P2 Rh -","- C756 H648 Cl18 O216 P36 Rh18 -","18","1","","Son, Seung Uk; Reingold, Jeffrey A.; Carpenter, Gene B.; Czech, Paul T.; Sweigart, Dwight A.","Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in the Self-Assembly of the Organometallic Building Block [(η6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions","Organometallics","2006","25","22","5276","","10.1021/om0604425","","","0.71073","MoKα","","0.1065","0.0789","","","0.2199","0.2446","","","","","","1.03","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074152","10.8432","0.0009","11.2454","0.0009","17.9078","0.0015","105.394","0.001","90.398","0.001","107.279","0.001","2001.5","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 F2 O10 P3 Rh -","- C42 H36 F2 O10 P3 Rh -","- C84 H72 F4 O20 P6 Rh2 -","2","1","","Son, Seung Uk; Reingold, Jeffrey A.; Carpenter, Gene B.; Czech, Paul T.; Sweigart, Dwight A.","Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in the Self-Assembly of the Organometallic Building Block [(η6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions","Organometallics","2006","25","22","5276","","10.1021/om0604425","","","0.71073","MoKα","","0.0934","0.0725","","","0.1558","0.1655","","","","","","1.076","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074153","10.5971","0.0009","13.9524","0.0012","16.587","0.0014","74.722","0.001","84.604","0.002","70.769","0.001","2233.7","0.3","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C44 H38 Cl2 F3 O11 P2 Rh S -","- C44 H38 Cl2 F3 O11 P2 Rh S -","- C88 H76 Cl4 F6 O22 P4 Rh2 S2 -","2","1","","Son, Seung Uk; Reingold, Jeffrey A.; Carpenter, Gene B.; Czech, Paul T.; Sweigart, Dwight A.","Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in the Self-Assembly of the Organometallic Building Block [(η6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions","Organometallics","2006","25","22","5276","","10.1021/om0604425","","","0.71073","MoKα","","0.1087","0.0748","","","0.1251","0.1354","","","","","","1.128","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074154","11.875","0.003","17.555","0.005","24.061","0.007","90","","90","","90","","5016","2","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C50 H45 Cl2 O11 P2 Rh S -","- C50 H45 Cl2 O11 P2 Rh S -","- C200 H180 Cl8 O44 P8 Rh4 S4 -","4","1","","Son, Seung Uk; Reingold, Jeffrey A.; Carpenter, Gene B.; Czech, Paul T.; Sweigart, Dwight A.","Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in the Self-Assembly of the Organometallic Building Block [(η6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions","Organometallics","2006","25","22","5276","","10.1021/om0604425","","","0.71073","MoKα","","0.296","0.078","","","0.1451","0.2147","","","","","","0.93","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074155","10.669","0.002","14.186","0.003","16.885","0.003","65.795","0.004","85.774","0.004","70.863","0.004","2196.6","0.7","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H36 F6 O8 P2 Rh Sb -","- C42 H36 F6 O8 P2 Rh Sb -","- C84 H72 F12 O16 P4 Rh2 Sb2 -","2","1","","Son, Seung Uk; Reingold, Jeffrey A.; Carpenter, Gene B.; Czech, Paul T.; Sweigart, Dwight A.","Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in the Self-Assembly of the Organometallic Building Block [(η6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions","Organometallics","2006","25","22","5276","","10.1021/om0604425","","","0.71073","MoKα","","0.1531","0.0943","","","0.2578","0.3001","","","","","","1.022","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074156","12.8338","0.0008","13.2592","0.0009","17.1585","0.0011","94.6","0.001","99.863","0.001","116.234","0.001","2539.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H56 F6 O10 P2 Rh Sb -","- C50 H56 F6 O10 P2 Rh Sb -","- C100 H112 F12 O20 P4 Rh2 Sb2 -","2","1","","Son, Seung Uk; Reingold, Jeffrey A.; Carpenter, Gene B.; Czech, Paul T.; Sweigart, Dwight A.","Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in the Self-Assembly of the Organometallic Building Block [(η6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions","Organometallics","2006","25","22","5276","","10.1021/om0604425","","","0.71073","MoKα","","0.0549","0.0377","","","0.0808","0.0867","","","","","","1.026","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074157","17.96","0.005","11.306","0.003","23.267","0.007","90","","105.502","0.005","90","","4553","2","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C48 H40 B F4 O8 P2 Rh -","- C48 H40 B F4 O8 P2 Rh -","- C192 H160 B4 F16 O32 P8 Rh4 -","4","1","","Son, Seung Uk; Reingold, Jeffrey A.; Carpenter, Gene B.; Czech, Paul T.; Sweigart, Dwight A.","Charge-Assisted Hydrogen Bonding and Other Noncovalent Interactions in the Self-Assembly of the Organometallic Building Block [(η6-hydroquinone)Rh(P(OPh)3)2]+with a Range of Counteranions","Organometallics","2006","25","22","5276","","10.1021/om0604425","","","0.71073","MoKα","","0.1886","0.1212","","","0.2917","0.3183","","","","","","1.067","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074158","18.0127","0.0007","9.3522","0.0004","20.0134","0.0007","90","","90","","90","","3371.4","0.2","173","2","173","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C16 H40 O4 Zn4 -","- C16 H44 O4 Zn4 -","- C64 H176 O16 Zn16 -","4","0.25","","Marciniak, Wojciech; Merz, Klaus; Moreno, Mariluna; Driess, Matthias","Convenient Access to Homo- and Heterobimetallic Alkoxo Hydridozinc Clusters of Formula [(HZnOtBu)4-n(LiOtBu)n] (n= 0, 1, 2, 3)","Organometallics","2006","25","21","4931","","10.1021/om060443x","","","0.71073","MoKα","","0.0529","0.0459","","","0.1053","0.108","","","","","","1.133","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074159","17.032","0.007","10.316","0.004","19.501","0.008","90","","107.314","0.009","90","","3271","2","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H55 Li O6 Zn3 -","- C24 H55 Li O6 Zn3 -","- C96 H220 Li4 O24 Zn12 -","4","1","","Marciniak, Wojciech; Merz, Klaus; Moreno, Mariluna; Driess, Matthias","Convenient Access to Homo- and Heterobimetallic Alkoxo Hydridozinc Clusters of Formula [(HZnOtBu)4-n(LiOtBu)n] (n= 0, 1, 2, 3)","Organometallics","2006","25","21","4931","","10.1021/om060443x","","","0.71073","MoKα","","0.0481","0.0387","","","0.104","0.1118","","","","","","1.011","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074160","11.0383","0.0003","16.4529","0.0005","17.3925","0.0006","90","","92.934","0.001","90","","3154.55","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H54 Li2 O6 Zn2 -","- C24 H54 Li2 O6 Zn2 -","- C96 H216 Li8 O24 Zn8 -","4","1","","Marciniak, Wojciech; Merz, Klaus; Moreno, Mariluna; Driess, Matthias","Convenient Access to Homo- and Heterobimetallic Alkoxo Hydridozinc Clusters of Formula [(HZnOtBu)4-n(LiOtBu)n] (n= 0, 1, 2, 3)","Organometallics","2006","25","21","4931","","10.1021/om060443x","","","0.71073","MoKα","","0.0873","0.0481","","","0.0954","0.1102","","","","","","0.989","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074161","10.1859","0.0004","24.8508","0.0009","14.1455","0.0004","90","","96.14","0.002","90","","3560.1","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H61 Li3 O7 Zn -","- C28 H61 Li3 O7 Zn -","- C112 H244 Li12 O28 Zn4 -","4","1","","Marciniak, Wojciech; Merz, Klaus; Moreno, Mariluna; Driess, Matthias","Convenient Access to Homo- and Heterobimetallic Alkoxo Hydridozinc Clusters of Formula [(HZnOtBu)4-n(LiOtBu)n] (n= 0, 1, 2, 3)","Organometallics","2006","25","21","4931","","10.1021/om060443x","","","0.71073","MoKα","","0.1396","0.0617","","","0.1105","0.1353","","","","","","1.014","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074162","9.686","0.005","11.236","0.005","14.713","0.005","90","0.005","90","0.005","90","0.005","1601.2","1.2","293","2","293","2","","","","","","","","5","P b n 21","P 2c -2ab","33","","","","- C14 H25 Br N2 Ni -","- C14 H25 Br N2 Ni -","- C56 H100 Br4 N8 Ni4 -","4","1","","Silva, Leonel C.; Gomes, Pedro T.; Veiros, Luis F.; Pascu, Sofia I.; Duarte, M. Teresa; Namorado, Sónia; Ascenso, José R.; Dias, Alberto R.","Synthesis, Structure, and Solution Dynamics of Neutral Allylnickel Complexes of N-Heterocyclic Carbenes","Organometallics","2006","25","18","4391","","10.1021/om060444p","","","0.71069","MoKα","","0.1587","0.063","","","0.0777","0.093","","","","","","0.945","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074163","7.982","0.005","8.862","0.005","10.303","0.005","112.019","0.005","100.553","0.005","102.16","0.005","632.3","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H17 I N2 Ni -","- C9.625 H16.625 I N2 Ni -","- C19.25 H33.25 I2 N4 Ni2 -","2","1","","Silva, Leonel C.; Gomes, Pedro T.; Veiros, Luis F.; Pascu, Sofia I.; Duarte, M. Teresa; Namorado, Sónia; Ascenso, José R.; Dias, Alberto R.","Synthesis, Structure, and Solution Dynamics of Neutral Allylnickel Complexes of N-Heterocyclic Carbenes","Organometallics","2006","25","18","4391","","10.1021/om060444p","","","0.71069","MoKα","","0.0432","0.0319","","","0.0744","0.0778","","","","","","1.05","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074164","20.265","0.005","8.471","0.002","14.144","0.004","90","","93.703","0.004","90","","2423","1.1","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H17 Br N2 Ni -","- C10 H17 Br N2 Ni -","- C80 H136 Br8 N16 Ni8 -","8","1","","Silva, Leonel C.; Gomes, Pedro T.; Veiros, Luis F.; Pascu, Sofia I.; Duarte, M. Teresa; Namorado, Sónia; Ascenso, José R.; Dias, Alberto R.","Synthesis, Structure, and Solution Dynamics of Neutral Allylnickel Complexes of N-Heterocyclic Carbenes","Organometallics","2006","25","18","4391","","10.1021/om060444p","","","0.6904","synchrotron","","0.0408","0.0345","","0.0444","0.0434","0.0434","","","","","","1.0257","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074165","7.2153","0.0019","8.362","0.002","9.324","0.003","90","","103.351","0.012","90","","547.4","0.3","180","","180","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C8 H13 I N2 Ni -","- C8 H13 I N2 Ni -","- C16 H26 I2 N4 Ni2 -","2","0.5","","Silva, Leonel C.; Gomes, Pedro T.; Veiros, Luis F.; Pascu, Sofia I.; Duarte, M. Teresa; Namorado, Sónia; Ascenso, José R.; Dias, Alberto R.","Synthesis, Structure, and Solution Dynamics of Neutral Allylnickel Complexes of N-Heterocyclic Carbenes","Organometallics","2006","25","18","4391","","10.1021/om060444p","","","0.71073","MoKα","","0.1798","0.1451","","0.1286","0.1128","0.1128","","","","","","1.2114","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074166","21.854","0.004","17.372","0.004","14.901","0.003","90","","90","","90","","5657","2","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C69 H65 N4 Rh Si -","- C69 H65 N4 Rh Si -","- C276 H260 N16 Rh4 Si4 -","4","1","","Zhang, Lirong; Chan, Kin Shing","Facile Synthesis of Rhodium(III) Porphyrin Silyls by Silicon−Hydrogen Bond Activation with Rhodium(III) Porphyrin Halides and Methyls","Organometallics","2006","25","20","4822","","10.1021/om0604472","","","0.71073","MoKα","","0.086","0.0664","","","0.1418","0.1512","","","","","","1.105","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074167","28.4903","0.0014","28.4903","0.0014","14.7397","0.0016","90","","90","","90","","11964.2","1.5","293","2","293","2","","","","","","","","6","I 41","I 4bw","80","","","","- C64 H65 N4 O Rh Si -","- C64 H63 N4 O Rh Si -","- C512 H504 N32 O8 Rh8 Si8 -","8","1","","Zhang, Lirong; Chan, Kin Shing","Facile Synthesis of Rhodium(III) Porphyrin Silyls by Silicon−Hydrogen Bond Activation with Rhodium(III) Porphyrin Halides and Methyls","Organometallics","2006","25","20","4822","","10.1021/om0604472","","","0.71073","MoKα","","0.1901","0.0888","","","0.221","0.3125","","","","","","1.034","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074168","8.2667","0.0006","17.4414","0.0013","17.3718","0.0013","90","","101.083","0.002","90","","2458","0.3","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C22 H31 Cl F6 N O P Ru -","- C22 H31 Cl F6 N O P Ru -","- C88 H124 Cl4 F24 N4 O4 P4 Ru4 -","4","1","","Fernández, Ignacio; Pregosin, Paul S.; Albinati, Alberto; Rizzato, Silvia","X-ray Diffraction, PGSE Diffusion, and Related NMR Studies on a Series of Cp*-Based Ru(IV)(Cp*)(η3-CH2−CH−CHPh) Allyl Complexes","Organometallics","2006","25","19","4520","","10.1021/om060448u","","","0.71073","MoKα","","0.0525","0.0399","","","0.0926","0.0983","","","","","","1.026","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4074169","8.4912","0.0004","14.654","0.0006","21.1911","0.0009","90","","97.822","0.001","90","","2612.3","0.2","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H33 Cl F6 N P Ru -","- C24 H33 Cl F6 N P Ru -","- C96 H132 Cl4 F24 N4 P4 Ru4 -","4","1","","Fernández, Ignacio; Pregosin, Paul S.; Albinati, Alberto; Rizzato, Silvia","X-ray Diffraction, PGSE Diffusion, and Related NMR Studies on a Series of Cp*-Based Ru(IV)(Cp*)(η3-CH2−CH−CHPh) Allyl Complexes","Organometallics","2006","25","19","4520","","10.1021/om060448u","","","0.71073","MoKα","","0.0344","0.0312","","","0.0818","0.0839","","","","","","1.049","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074170","6.9875","0.0015","12.489","0.003","14.649","0.003","90","0.005","99.121","0.005","90","0.005","1262.2","0.5","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H10 Cl4 Ru2 -","- C10 H10 Cl4 Ru2 -","- C40 H40 Cl16 Ru8 -","4","0.5","","Fernández, Ignacio; Pregosin, Paul S.; Albinati, Alberto; Rizzato, Silvia","X-ray Diffraction, PGSE Diffusion, and Related NMR Studies on a Series of Cp*-Based Ru(IV)(Cp*)(η3-CH2−CH−CHPh) Allyl Complexes","Organometallics","2006","25","19","4520","","10.1021/om060448u","","","0.71073","MoKα","","0.0201","0.0175","","","0.0441","0.0453","","","","","","1.016","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074171","11.5964","0.0016","11.817","0.003","15.5409","0.0018","78.9538","0.0013","79.8165","0.0013","69.499","0.004","1943.8","0.6","193.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C44 H52 Ge Ru S2 -","- C44 H52 Ge Ru S2 -","- C88 H104 Ge2 Ru2 S4 -","2","1","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.71069","MoKα","","","0.0468","","","","0.0934","","","","","","1.406","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074172","12.082","0.011","15.324","0.014","20.528","0.019","90","","93.843","0.013","90","","3792","6","173.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C44 H52 Ge O Ru S -","- C44 H52 Ge O Ru S -","- C176 H208 Ge4 O4 Ru4 S4 -","4","1","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.7107","MoKα","","","0.0407","","","","0.1104","","","","","","0.962","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074173","11.485","0.008","11.964","0.008","16.076","0.013","89.86","0.03","88","0.03","65.82","0.02","2014","3","153.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H114 Ge2 O5 Ru2 -","- C92 H104 Ge2 O5 Ru2 -","- C92 H104 Ge2 O5 Ru2 -","1","0.5","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.7107","MoKα","","","0.0577","","","","0.1369","","","","","","1.294","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074174","15.576","0.007","14.378","0.008","34.35","0.02","90","","90.87","0.02","90","","7692","7","193.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C41 H47 B F4 Ge Ru S2 -","- C41 H47 B F4 Ge Ru S2 -","- C328 H376 B8 F32 Ge8 Ru8 S16 -","8","1","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.7107","MoKα","","","0.0545","","","","0.1349","","","","","","1.137","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074175","22.292","0.002","10.6693","0.0012","22.144","0.0004","90","","117.222","0.0004","90","","4683.4","0.7","173.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H53 Ge P Ru S2 -","- C52 H53 Ge P Ru S2 -","- C208 H212 Ge4 P4 Ru4 S8 -","4","1","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.71069","MoKα","","","0.0417","","","","0.0837","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074176","10.4978","0.0017","12.8083","0.0016","16.8593","0.0009","82.603","0.003","78.7029","0.001","79.7565","0.0012","2177.1","0.5","193.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H53 Ge O P Ru S -","- C52 H48 Ge O P Ru S -","- C104 H96 Ge2 O2 P2 Ru2 S2 -","2","1","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.71069","MoKα","","","0.042","","","","0.0957","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074177","20.77","0.004","12.102","0.002","31.916","0.006","90","","95.255","0.003","90","","7989","3","173.1","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C84 H66 B F24 Ge P Ru S2 -","- C84 H66 B F24 Ge P Ru S2 -","- C336 H264 B4 F96 Ge4 P4 Ru4 S8 -","4","1","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.7107","MoKα","","","0.0409","","","","0.1133","","","","","","0.922","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074178","15.802","0.002","20.691","0.004","16.65","0.0006","90","","113.891","0.001","90","","4977.4","1.2","183.1","","","","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C54 H58 B Cl2 F4 Ge P Ru S2 -","- C54 H58 B Cl2 F4 Ge P Ru S2 -","- C216 H232 B4 Cl8 F16 Ge4 P4 Ru4 S8 -","4","1","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.71069","MoKα","","","0.0364","","","","0.0689","","","","","","0.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074179","12.5318","0.0015","17.246","0.002","19.56","0.003","84.988","0.004","84.367","0.004","75.79","0.003","4069.5","0.9","123.1","","","","","","","","","","","9","P -1","-P 1","2","","","","- C87.5 H70 B F24 Ge O P Ru S -","- C87.5 H66 B F24 Ge O P Ru S -","- C175 H132 B2 F48 Ge2 O2 P2 Ru2 S2 -","2","1","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.7107","MoKα","","","0.0413","","","","0.054","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074180","14.703","0.005","28.665","0.008","19.456","0.006","90","","113.351","0.003","90","","7528","4","173.1","","","","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C150 H128 B2 F48 Ge2 O8 Ru2 S2 -","- C150 H128 B2 F48 Ge2 O8 Ru2 S2 -","- C300 H256 B4 F96 Ge4 O16 Ru4 S4 -","2","0.5","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.7107","MoKα","","","0.0874","","","","0.1757","","","","","","0.906","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074181","15.088","0.009","17.308","0.012","19.953","0.019","104.69","0.03","90.14","0.03","91.929","0.016","5037","7","203.1","","","","","","","","","","","8","P -1","-P 1","2","","","","- C105 H108 Cl5 Ge2 O2 P2 Ru2 S2 -","- C105 H108 Cl5 Ge2 O2 P2 Ru2 S2 -","- C210 H216 Cl10 Ge4 O4 P4 Ru4 S4 -","2","1","","Matsumoto, Tsuyoshi; Nakaya, Yukiko; Tatsumi, Kazuyuki","Synthesis of Oxo- and Sulfido-Bridged Germanium−Ruthenium Complexes and Reactions on the Chalcogenido Bridges","Organometallics","2006","25","20","4835","","10.1021/om060449m","","","0.7107","MoKα","","","0.0633","","","","0.1591","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074182","16.677","0.001","13.108","0.001","26.454","0.001","90","","100.98","0.001","90","","5677","0.6","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C58 H60 Li4 O2 P4 S4 -","- C58 H60 Li4 O2 P4 S4 -","- C232 H240 Li16 O8 P16 S16 -","4","1","","Cantat, Thibault; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas","Phosphorus-Stabilized Geminal Dianions","Organometallics","2006","25","21","4965","","10.1021/om060450l","","","0.71069","MoKα","","0.0857","0.0599","","","0.1677","0.1828","","","","","","1.053","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074183","22.406","0.001","21.553","0.001","25.963","0.001","90","","99.786","0.001","90","","12355.5","0.9","150","0.1","150","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 Li4 O3 P4 S4 -","- C62 H70 Li4 O3 P4 S4 -","- C496 H560 Li32 O24 P32 S32 -","8","2","","Cantat, Thibault; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas","Phosphorus-Stabilized Geminal Dianions","Organometallics","2006","25","21","4965","","10.1021/om060450l","","","0.71069","MoKα","","0.0799","0.0437","","","0.1113","0.1293","","","","","","1.011","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074184","18.156","0.001","19.21","0.001","24.037","0.001","90","","108.434","0.001","90","","7953.4","0.7","150","0.1","150","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C82 H70 Li4 N6 P4 S8 -","- C82 H70 Li4 N6 P4 S8 -","- C328 H280 Li16 N24 P16 S32 -","4","0.5","","Cantat, Thibault; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas","Phosphorus-Stabilized Geminal Dianions","Organometallics","2006","25","21","4965","","10.1021/om060450l","","","0.71069","MoKα","","0.0667","0.051","","","0.1362","0.1464","","","","","","1.036","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074185","20.433","0.001","14.764","0.001","11.08","0.001","90","","102.489","0.001","90","","3263.4","0.4","150","0.1","150","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H38 P2 S4 -","- C34 H38 P2 S4 -","- C136 H152 P8 S16 -","4","0.5","","Cantat, Thibault; Ricard, Louis; Le Floch, Pascal; Mézailles, Nicolas","Phosphorus-Stabilized Geminal Dianions","Organometallics","2006","25","21","4965","","10.1021/om060450l","","","0.71069","MoKα","","0.0321","0.0294","","","0.082","0.0843","","","","","","1.051","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074186","15.617","0.0003","18.619","0.0003","20.495","0.0004","90","","91.036","0.001","90","","5958.42","0.19","100","1","100","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C66 H52 Ag F20 N3 Pt2 -","- C66 H52 Ag F20 N3 Pt2 -","- C264 H208 Ag4 F80 N12 Pt8 -","4","1","","Forniés, Juan; Ibáñez, Susana; Martín, Antonio; Sanz, Manuel; Berenguer, Jesús R.; Lalinde, Elena; Torroba, Javier","Influence of the Pt→Ag Donor−Acceptor Bond and Polymorphism on the Spectroscopic and Optical Properties of Heteropolynuclear Benzoquinolateplatinum(II) Complexes","Organometallics","2006","25","18","4331","","10.1021/om0604526","","","0.71073","MoKα","","0.0808","0.048","","","0.1018","0.1134","","","","","","0.995","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074187","15.684","0.0002","18.6779","0.0002","20.5826","0.0003","90","","91.124","0.001","90","","6028.39","0.13","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C66 H52 Ag F20 N3 Pt2 -","- C66 H52 Ag F20 N3 Pt2 -","- C264 H208 Ag4 F80 N12 Pt8 -","4","1","","Forniés, Juan; Ibáñez, Susana; Martín, Antonio; Sanz, Manuel; Berenguer, Jesús R.; Lalinde, Elena; Torroba, Javier","Influence of the Pt→Ag Donor−Acceptor Bond and Polymorphism on the Spectroscopic and Optical Properties of Heteropolynuclear Benzoquinolateplatinum(II) Complexes","Organometallics","2006","25","18","4331","","10.1021/om0604526","","","0.71073","MoKα","","0.055","0.0332","","","0.0868","0.1152","","","","","","1.003","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074188","15.8558","0.0002","18.7693","0.0002","20.7563","0.0003","90","","91.565","0.0004","90","","6174.82","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound X","","","- C66 H52 Ag F20 N3 Pt2 -","- C66 H52 Ag F20 N3 Pt2 -","- C264 H208 Ag4 F80 N12 Pt8 -","4","1","","Forniés, Juan; Ibáñez, Susana; Martín, Antonio; Sanz, Manuel; Berenguer, Jesús R.; Lalinde, Elena; Torroba, Javier","Influence of the Pt→Ag Donor−Acceptor Bond and Polymorphism on the Spectroscopic and Optical Properties of Heteropolynuclear Benzoquinolateplatinum(II) Complexes","Organometallics","2006","25","18","4331","","10.1021/om0604526","","","0.71073","MoKα","","0.09","0.0548","","","0.1263","0.1453","","","","","","1.038","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074189","10.667","0.0002","15.516","0.0003","20.255","0.0005","107.523","0.001","91.395","0.001","108.458","0.001","3005.71","0.11","123","1","123","1","","","","","","","","6","P -1","-P 1","2","","","","- C66 H52 Ag F20 N3 Pt2 -","- C66 H52 Ag F20 N3 Pt2 -","- C132 H104 Ag2 F40 N6 Pt4 -","2","1","","Forniés, Juan; Ibáñez, Susana; Martín, Antonio; Sanz, Manuel; Berenguer, Jesús R.; Lalinde, Elena; Torroba, Javier","Influence of the Pt→Ag Donor−Acceptor Bond and Polymorphism on the Spectroscopic and Optical Properties of Heteropolynuclear Benzoquinolateplatinum(II) Complexes","Organometallics","2006","25","18","4331","","10.1021/om0604526","","","0.71073","MoKα","","0.049","0.0332","","","0.0592","0.0641","","","","","","1.054","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074190","12.752","0.0005","13.0864","0.0006","13.5349","0.0006","96.672","0.001","93.068","0.001","103.451","0.001","2174.24","0.16","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C47 H31 Ag Cl3 F10 N P Pt -","- C47 H31 Ag Cl3 F10 N P Pt -","- C94 H62 Ag2 Cl6 F20 N2 P2 Pt2 -","2","1","","Forniés, Juan; Ibáñez, Susana; Martín, Antonio; Sanz, Manuel; Berenguer, Jesús R.; Lalinde, Elena; Torroba, Javier","Influence of the Pt→Ag Donor−Acceptor Bond and Polymorphism on the Spectroscopic and Optical Properties of Heteropolynuclear Benzoquinolateplatinum(II) Complexes","Organometallics","2006","25","18","4331","","10.1021/om0604526","","","0.71073","MoKα","","0.0265","0.0248","","","0.0621","0.0628","","","","","","1.013","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074191","25.041","0.004","25.041","0.004","13.099","0.003","90","","90","","120","","7113","2","100","2","100","2","","","","","","","","7","P -3","-P 3","147","","","","- C45.08 H27.08 Ag Cl11.75 N P Pt -","- C45.0833 H27.0833 Ag Cl11.75 N P Pt -","- C270.5 H162.5 Ag6 Cl70.5 N6 P6 Pt6 -","6","1","","Forniés, Juan; Ibáñez, Susana; Martín, Antonio; Sanz, Manuel; Berenguer, Jesús R.; Lalinde, Elena; Torroba, Javier","Influence of the Pt→Ag Donor−Acceptor Bond and Polymorphism on the Spectroscopic and Optical Properties of Heteropolynuclear Benzoquinolateplatinum(II) Complexes","Organometallics","2006","25","18","4331","","10.1021/om0604526","","","0.71073","MoKα","","0.0363","0.0338","","","0.0863","0.0877","","","","","","1.051","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074192","14.78","0.003","11.933","0.002","20.543","0.004","90","","93.15","0.03","90","","3617.7","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[(η^5^-C~5~Me~5~)Ru(dippe){=C=CHCHPhCH~2~COCH~3~}][BF~4~]","{1,2-bis(diisopropylphosphino)ethane}-(pentahapto-pentamethylcyclopentadienyl) -{(1-phenyl-3-acetyl)butyl-vinylidene}-ruthenium (II) tetrafluorborate","","- C36 H59 B F4 O P2 Ru -","- C36 H59 B F4 O P2 Ru -","- C144 H236 B4 F16 O4 P8 Ru4 -","4","1","","Bustelo, Emilio; Jiménez-Tenorio, Manuel; Puerta, M. Carmen; Valerga, Pedro","Ruthenium Allenylidene/Alkenylcarbyne Complexes Triggering Keto−Enol Tautomerism: An Alternative Approach to γ-Keto Vinylidenes from Simple Ketones and 1,3-Dicarbonyl Compounds","Organometallics","2006","25","16","4019","","10.1021/om060453y","","x-ray","0.71073","MoKα","","0.0672","0.0616","","","0.1282","0.1314","","","","","","1.066","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074193","11.912","0.002","16.888","0.003","22.019","0.004","90","","92.454","0.004","90","","4425.5","1.3","208","2","208","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C51.74 H60.06 K2 N3 O3 -","- C47 H49 K2 N3 O3 -","- C188 H196 K8 N12 O12 -","4","1","","Arunachalampillai, Athimoolam; Crewdson, Patrick; Korobkov, Ilia; Gambarotta, Sandro","Ring Opening and C−O and C−N Bond Cleavage by Transient Reduced Thorium Species","Organometallics","2006","25","16","3856","","10.1021/om060454q","","","0.71073","MoKα","","0.135","0.0737","","","0.1366","0.1555","","","","","","1.015","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074194","18.207","0.006","11.789","0.004","20.908","0.007","90","","113.429","0.006","90","","4118","2","209","2","209","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H47 Cl2 N3 O2 Th -","- C47 H47 Cl2 N3 O2 Th -","- C188 H188 Cl8 N12 O8 Th4 -","4","1","","Arunachalampillai, Athimoolam; Crewdson, Patrick; Korobkov, Ilia; Gambarotta, Sandro","Ring Opening and C−O and C−N Bond Cleavage by Transient Reduced Thorium Species","Organometallics","2006","25","16","3856","","10.1021/om060454q","","","0.71073","MoKα","","0.1186","0.0607","","","0.1066","0.1201","","","","","","1.085","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074195","33.39","0.007","12.531","0.003","20.74","0.005","90","","97.642","0.004","90","","8601","3","226","2","226","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C100.5 H84 K2 N6 Th -","- C90 H72 K2 N6 Th -","- C360 H288 K8 N24 Th4 -","4","0.5","","Arunachalampillai, Athimoolam; Crewdson, Patrick; Korobkov, Ilia; Gambarotta, Sandro","Ring Opening and C−O and C−N Bond Cleavage by Transient Reduced Thorium Species","Organometallics","2006","25","16","3856","","10.1021/om060454q","","","0.71073","MoKα","","0.0484","0.0392","","","0.08","0.0825","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074196","11.975","0.006","13.569","0.007","25.327","0.012","93.768","0.007","92.503","0.007","113.128","0.007","3766","3","207","2","207","2","","","","","","","","6","P -1","-P 1","2","","","","- C84 H76 K2 N6 O4 Th -","- C84 H76 K2 N6 O4 Th -","- C168 H152 K4 N12 O8 Th2 -","2","1","","Arunachalampillai, Athimoolam; Crewdson, Patrick; Korobkov, Ilia; Gambarotta, Sandro","Ring Opening and C−O and C−N Bond Cleavage by Transient Reduced Thorium Species","Organometallics","2006","25","16","3856","","10.1021/om060454q","","","0.71073","MoKα","","0.045","0.0376","","","0.089","0.0918","","","","","","1.046","","","","has coordinates,has disorder","178630","2020-10-21","18:00:00",""
"4074197","22.762","0.016","15.89","0.009","23.217","0.012","90","","94.75","0.04","90","","8368","9","209","2","209","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47.5 H51.5 N3 O3 Th -","- C43 H41 N3 O3 Th -","- C344 H328 N24 O24 Th8 -","8","1","","Arunachalampillai, Athimoolam; Crewdson, Patrick; Korobkov, Ilia; Gambarotta, Sandro","Ring Opening and C−O and C−N Bond Cleavage by Transient Reduced Thorium Species","Organometallics","2006","25","16","3856","","10.1021/om060454q","","","0.71073","MoKα","","0.1081","0.0649","","","0.1245","0.1375","","","","","","1.036","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074198","38.78","0.03","10.427","0.007","12.221","0.008","90","","104.467","0.01","90","","4785","6","208","2","208","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C61 H50 Cl N5 Th -","- C61 H50 Cl N5 Th -","- C244 H200 Cl4 N20 Th4 -","4","1","","Arunachalampillai, Athimoolam; Crewdson, Patrick; Korobkov, Ilia; Gambarotta, Sandro","Ring Opening and C−O and C−N Bond Cleavage by Transient Reduced Thorium Species","Organometallics","2006","25","16","3856","","10.1021/om060454q","","","0.71073","MoKα","","0.0555","0.0487","","","0.1335","0.1408","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074199","17.67","0.07","29.83","0.14","25.61","0.15","90","","96.4","0.3","90","","13415","11","208","2","208","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C81 H98 K N5 O4 Th -","- C61 H50 K N5 Th -","- C488 H400 K8 N40 Th8 -","8","1","","Arunachalampillai, Athimoolam; Crewdson, Patrick; Korobkov, Ilia; Gambarotta, Sandro","Ring Opening and C−O and C−N Bond Cleavage by Transient Reduced Thorium Species","Organometallics","2006","25","16","3856","","10.1021/om060454q","","","0.71073","MoKα","","0.1264","0.0768","","","0.1495","0.1658","","","","","","1.032","","","","has coordinates","178630","2020-10-21","18:00:00",""
"4074200","16.7318","0.0002","16.5324","0.0002","18.7277","0.0003","90","","90","","90","","5180.4","0.12","90","0.2","90","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Tetrakis-(2,4-dichloro-phenyl)stannane","","- C24 H12 Cl8 Sn -","- C24 H12 Cl8 Sn -","- C192 H96 Cl64 Sn8 -","8","1","","Shaikh, Nadim S.; Parkin, Sean; Lehmler, Hans-Joachim","The Ullmann Coupling Reaction: A New Approach to Tetraarylstannanes","Organometallics","2006","25","17","4207","","10.1021/om060456a","","","0.71073","MoKα","","0.0371","0.0256","","","0.0546","0.0585","","","","","","1.083","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074201","9.8948","0.0001","11.2574","0.0002","11.7771","0.0002","97.9527","0.0006","98.0515","0.0006","94.0355","0.0007","1281.02","0.03","90","0.2","90","0.2","","","","","","","","4","P -1","-P 1","2","","Tetrakis-(3,4-dichloro-phenyl)stannane","","- C24 H12 Cl8 Sn -","- C24 H12 Cl8 Sn -","- C48 H24 Cl16 Sn2 -","2","1","","Shaikh, Nadim S.; Parkin, Sean; Lehmler, Hans-Joachim","The Ullmann Coupling Reaction: A New Approach to Tetraarylstannanes","Organometallics","2006","25","17","4207","","10.1021/om060456a","","","0.71073","MoKα","","0.0339","0.0258","","","0.0537","0.0573","","","","","","1.099","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074202","8.5731","0.0001","8.5731","0.0001","39.7548","0.0007","90","","90","","90","","2921.9","0.07","90","0.2","90","0.2","","","","","","","","4","I 41/a :2","-I 4ad","88","","Tetrakis-(4-methylcarboxylate-phenyl)stannane","","- C32 H28 O8 Sn -","- C32 H28 O8 Sn -","- C128 H112 O32 Sn4 -","4","0.25","","Shaikh, Nadim S.; Parkin, Sean; Lehmler, Hans-Joachim","The Ullmann Coupling Reaction: A New Approach to Tetraarylstannanes","Organometallics","2006","25","17","4207","","10.1021/om060456a","","","0.71073","MoKα","","0.0319","0.0245","","","0.0517","0.0551","","","","","","1.098","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074203","10.9038","0.0001","12.0001","0.0001","12.4461","0.0001","66.4013","0.0004","69.3562","0.0004","70.6943","0.0004","1362","0.02","90","0.2","90","0.2","","","","","","","","3","P -1","-P 1","2","","Tetrakis-(2,4-dimethyl-phenyl)stannane","","- C32 H36 Sn -","- C32 H36 Sn -","- C64 H72 Sn2 -","2","1","","Shaikh, Nadim S.; Parkin, Sean; Lehmler, Hans-Joachim","The Ullmann Coupling Reaction: A New Approach to Tetraarylstannanes","Organometallics","2006","25","17","4207","","10.1021/om060456a","","","0.71073","MoKα","","0.0263","0.0225","","","0.0517","0.0536","","","","","","1.067","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074204","6.9674","0.0007","8.5023","0.0008","14.1923","0.0013","74.046","0.002","81.882","0.002","69.172","0.002","754.64","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 Mn N2 O4 -","- C15 H13 Mn N2 O4 -","- C30 H26 Mn2 N4 O8 -","2","1","","Hevia, Eva; Miguel, Daniel; Pérez, Julio; Riera, Víctor","Synthesis and Reactivity of New (Methoxy)methyl Complexes of Manganese(I) and Rhenium(I)","Organometallics","2006","25","20","4909","","10.1021/om060459n","","","0.71073","MoKα","","0.0359","0.034","","","0.0962","0.0977","","","","","","1.01","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074205","18.955","0.007","16.411","0.006","21.427","0.008","90","","100.102","0.005","90","","6562","4","103","2","103","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","stannylene","","","- C60 H104 Si7 Sn -","- C60 H104 Si7 Sn -","- C240 H416 Si28 Sn4 -","4","1","","Tajima, Tomoyuki; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","A Kinetically Stabilized Stannanetellone, a Tin−Tellurium Double-Bonded Compound","Organometallics","2006","25","15","3552","","10.1021/om0604627","","","0.7107","MoKα","","0.1419","0.0798","","","0.1607","0.2047","","","","","","1.1","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"4074206","13.871","0.004","22.05","0.006","23.776","0.006","90","","90.492","0.003","90","","7272","3","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","stannanetellone","","","- C66 H118 Si7 Sn Te -","- C66 H118 Si7 Sn Te -","- C264 H472 Si28 Sn4 Te4 -","4","1","","Tajima, Tomoyuki; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","A Kinetically Stabilized Stannanetellone, a Tin−Tellurium Double-Bonded Compound","Organometallics","2006","25","15","3552","","10.1021/om0604627","","","0.7107","MoKα","","0.0438","0.0362","","","0.0963","0.1142","","","","","","1.244","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074207","18.927","0.007","16.663","0.005","21.141","0.007","90","","100.006","0.003","90","","6566","4","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","BbtTitpSnOH2","","","- C60 H106 O2 Si7 Sn -","- C60 H106 O2 Si7 Sn -","- C240 H424 O8 Si28 Sn4 -","4","1","","Tajima, Tomoyuki; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","A Kinetically Stabilized Stannanetellone, a Tin−Tellurium Double-Bonded Compound","Organometallics","2006","25","15","3552","","10.1021/om0604627","","","0.7107","MoKα","","0.1124","0.0778","","","0.1198","0.1313","","","","","","1.168","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"4074208","14.7865","0.0003","12.0183","0.0002","45.0513","0.001","90","","96.6821","0.0007","90","","7951.6","0.3","103","2","103","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","DMAD_adduct","","","- C72 H124 O4 Si7 Sn Te -","- C72 H124 O4 Si7 Sn Te -","- C288 H496 O16 Si28 Sn4 Te4 -","4","1","","Tajima, Tomoyuki; Takeda, Nobuhiro; Sasamori, Takahiro; Tokitoh, Norihiro","A Kinetically Stabilized Stannanetellone, a Tin−Tellurium Double-Bonded Compound","Organometallics","2006","25","15","3552","","10.1021/om0604627","","","0.71069","MoKα","","0.0807","0.0396","","","0.06","0.0673","","","","","","1.011","","","","has coordinates,has disorder","201370","2020-10-21","18:00:00",""
"4074209","8.5812","0.0003","9.2527","0.0003","17.3789","0.0006","93.04","","101.095","0.001","113.856","0.001","1225.16","0.07","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 As Os -","- C28 H33 As Os -","- C56 H66 As2 Os2 -","2","1","","Gross, Christopher L.; Girolami, Gregory S.","Synthesis and Characterization of Osmium(IV) Polyhydride Complexes of Stoichiometry (C5Me5)OsH3(L). Crystal Structures of (C5Me5)OsH3(AsPh3) and (C5Me5)OsH3(PPh3)","Organometallics","2006","25","20","4792","","10.1021/om060463z","","","0.71073","MoKα","","0.0352","0.0268","","","0.0575","0.0615","","","","","","1.042","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074210","9.0638","0.0001","9.1459","0.0002","16.6003","0.0001","94.827","0.001","101.359","0.001","115.217","0.001","1198.47","0.03","198","2","198","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H33 Os P -","- C28 H33 Os P -","- C56 H66 Os2 P2 -","2","1","","Gross, Christopher L.; Girolami, Gregory S.","Synthesis and Characterization of Osmium(IV) Polyhydride Complexes of Stoichiometry (C5Me5)OsH3(L). Crystal Structures of (C5Me5)OsH3(AsPh3) and (C5Me5)OsH3(PPh3)","Organometallics","2006","25","20","4792","","10.1021/om060463z","","","0.71073","MoKα","","0.0244","0.0221","","","0.0524","0.0542","","","","","","1.102","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074211","33.1655","0.0009","15.3277","0.0004","14.0994","0.0004","90","","90","","90","","7167.4","0.3","90","0.2","90","0.2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C21 H34 Cl N2 P2 Ru -","- C21 H34 Cl N2 P2 Ru -","- C252 H408 Cl12 N24 P24 Ru12 -","12","3","","Weng, Wei; Parkin, Sean; Ozerov, Oleg V.","Double C−H Activation Results in Ruthenium Complexes of a Neutral PCP Ligand with a Central Carbene Moiety","Organometallics","2006","25","22","5345","","10.1021/om060464r","","","1.54178","CuKα","","0.0705","0.0617","","","0.1451","0.1508","","","","","","1.063","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074212","8.1742","0.0003","11.331","0.001","26.6412","0.0005","90","","90","","90","","2467.6","0.2","90","0.2","90","0.2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H35 Cl N2 O2 P2 Ru -","- C23 H35 Cl N2 O2 P2 Ru -","- C92 H140 Cl4 N8 O8 P8 Ru4 -","4","1","","Weng, Wei; Parkin, Sean; Ozerov, Oleg V.","Double C−H Activation Results in Ruthenium Complexes of a Neutral PCP Ligand with a Central Carbene Moiety","Organometallics","2006","25","22","5345","","10.1021/om060464r","","","0.71073","MoKα","","0.0847","0.0479","","","0.1013","0.1072","","","","","","1.048","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074213","10.0921","0.0002","17.0645","0.0003","33.8558","0.0006","90","","90","","90","","5830.53","0.19","90","0.2","90","0.2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H41 Cl N2 P2 Ru -","- C29 H41 Cl N2 P2 Ru -","- C232 H328 Cl8 N16 P16 Ru8 -","8","1","","Weng, Wei; Parkin, Sean; Ozerov, Oleg V.","Double C−H Activation Results in Ruthenium Complexes of a Neutral PCP Ligand with a Central Carbene Moiety","Organometallics","2006","25","22","5345","","10.1021/om060464r","","","0.71073","MoKα","","0.0851","0.0426","","","0.0963","0.1137","","","","","","1.057","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074214","21.474","0.004","7.771","0.001","10.485","0.001","90","","99.453","0.004","90","","1725.9","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H24 Fe N2 O4 -","- C16 H24 Fe N2 O4 -","- C64 H96 Fe4 N8 O16 -","4","0.5","","Braga, Dario; Grepioni, Fabrizia; Polito, Marco; Chierotti, Michele R.; Ellena, Silvano; Gobetto, Roberto","A Solid−Gas Route to Polymorph Conversion in Crystalline [FeII(η5-C5H4COOH)2]. A Diffraction and Solid-State NMR Study","Organometallics","2006","25","19","4627","","10.1021/om060468w","","x-ray","0.71073","MoKα","","0.0916","0.052","","","0.1084","0.1258","","","","","","0.978","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074215","11.267","0.002","11.591","0.002","24.066","0.004","96","0.02","94.02","0.02","112.8","0.02","2860.4","1","210","2","210","2","","","","","","","","4","P -1","-P 1","2","Dimitry-41","","","- C44 H102 Li6 Si6 -","- C44 H102 Li6 Si6 -","- C88 H204 Li12 Si12 -","2","1","","Bravo-Zhivotovskii, Dmitry; Molev, Gregory; Kravchenko, Victoria; Botoshansky, Mark; Schmidt, Asher; Apeloig, Yitzhak","Novel Aggregation Motif ofgem-Dilithiosilanes: Coaggregation of Two R2SiLi2Molecules with Two RLi Molecules","Organometallics","2006","25","20","4719","","10.1021/om060469o","","","0.71073","MoKα","","0.104","0.0659","","","0.1609","0.1737","","","","","","1.041","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074216","11.82","0.002","22.377","0.004","12.775","0.003","90","","105.34","0.03","90","","3258.6","1.2","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Dimitry-80new","","","- C24 H57 Li3 Si4 -","- C24 H57 Li3 Si4 -","- C96 H228 Li12 Si16 -","4","1","","Bravo-Zhivotovskii, Dmitry; Molev, Gregory; Kravchenko, Victoria; Botoshansky, Mark; Schmidt, Asher; Apeloig, Yitzhak","Novel Aggregation Motif ofgem-Dilithiosilanes: Coaggregation of Two R2SiLi2Molecules with Two RLi Molecules","Organometallics","2006","25","20","4719","","10.1021/om060469o","","","0.71073","MoKα","","0.2247","0.127","","","0.3127","0.3594","","","","","","1.086","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074217","10.7505","0.0017","11.7485","0.0019","12.266","0.002","90","","90","","90","","1549.2","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 B2 N2 V -","- C16 H22 B2 N2 V -","- C64 H88 B8 N8 V4 -","4","1","","Braunschweig, Holger; Lutz, Matthias; Radacki, Krzysztof; Schaumlöffel, Anu; Seeler, Fabian; Unkelbach, Christian","Facile Syntheses of Trovacene, the Formation of [n]Boratrovacenophanes (n= 1, 2), and Their Reactivity toward [Pt(PEt3)4]","Organometallics","2006","25","19","4433","","10.1021/om060471f","","","0.71073","MoKα","","0.0513","0.0489","","","0.1107","0.1117","","","","","","1.217","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074218","8.5651","0.0001","17.6564","0.0003","21.235","0.0004","90","","91.24","0.001","90","","3210.59","0.09","103","2","103","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H52 B2 N2 P2 Pt V -","- C28 H52 B2 N2 P2 Pt V -","- C112 H208 B8 N8 P8 Pt4 V4 -","4","1","","Braunschweig, Holger; Lutz, Matthias; Radacki, Krzysztof; Schaumlöffel, Anu; Seeler, Fabian; Unkelbach, Christian","Facile Syntheses of Trovacene, the Formation of [n]Boratrovacenophanes (n= 1, 2), and Their Reactivity toward [Pt(PEt3)4]","Organometallics","2006","25","19","4433","","10.1021/om060471f","","","0.71073","MoKα","","0.0205","0.0197","","","0.0501","0.0505","","","","","","1.128","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074219","15.0474","0.0006","12.3241","0.0005","10.9891","0.0004","90","","107.566","0.002","90","","1942.85","0.13","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Cyclopentadienylcycloheptatrienybis(trimethylsilylamino)borylvandadium","Cyclopentadienylcycloheptatrienybis(trimethylsilylamino)borylvandadium","","- C18 H28 B N Si2 V -","- C18 H28 B N Si2 V -","- C72 H112 B4 N4 Si8 V4 -","4","1","","Braunschweig, Holger; Lutz, Matthias; Radacki, Krzysztof; Schaumlöffel, Anu; Seeler, Fabian; Unkelbach, Christian","Facile Syntheses of Trovacene, the Formation of [n]Boratrovacenophanes (n= 1, 2), and Their Reactivity toward [Pt(PEt3)4]","Organometallics","2006","25","19","4433","","10.1021/om060471f","","","0.71073","MoKα","","0.0432","0.0328","","","0.0808","0.0871","","","","","","1.05","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074220","10.856","0.002","20.63","0.004","16.833","0.003","90","","105.58","0.03","90","","3631.4","1.3","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H33 Cl2 N3 O10 Pd S -","- C33 H33 Cl2 N3 O10 Pd S -","- C132 H132 Cl8 N12 O40 Pd4 S4 -","4","1","","Canovese, Luciano; Visentin, Fabiano; Chessa, Gavino; Uguagliati, Paolo; Levi, Carlo; Dolmella, Alessandro; Bandoli, Giuliano","Role of the Ligand and of the Size and Flexibility of the Palladium−Ancillary Ligand Cycle on the Reactivity of Substituted Alkynes toward Palladium(0) Complexes Bearing Potentially Terdentate Nitrogen−Sulfur−Nitrogen or Nitrogen−Nitrogen−Nitrogen Ligands: Kinetic and Structural Study","Organometallics","2006","25","22","5355","","10.1021/om0604728","","","0.71073","MoKα","","0.0522","0.0503","","","0.1251","0.1271","","","","","","1.216","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074221","8.385","0.002","17.032","0.003","22.164","0.004","90","","100.72","0.03","90","","3110.1","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H31 N3 O10 Pd S -","- C29 H31 N3 O10 Pd S -","- C116 H124 N12 O40 Pd4 S4 -","4","1","","Canovese, Luciano; Visentin, Fabiano; Chessa, Gavino; Uguagliati, Paolo; Levi, Carlo; Dolmella, Alessandro; Bandoli, Giuliano","Role of the Ligand and of the Size and Flexibility of the Palladium−Ancillary Ligand Cycle on the Reactivity of Substituted Alkynes toward Palladium(0) Complexes Bearing Potentially Terdentate Nitrogen−Sulfur−Nitrogen or Nitrogen−Nitrogen−Nitrogen Ligands: Kinetic and Structural Study","Organometallics","2006","25","22","5355","","10.1021/om0604728","","","0.71073","MoKα","","0.0477","0.0449","","","0.1079","0.1103","","","","","","1.388","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074222","9.291","0.002","11.288","0.002","13.748","0.003","91.17","0.03","103.84","0.03","94.12","0.03","1395.3","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H25 N3 O4 Pd S -","- C32 N3 O4 Pd S -","- C64 N6 O8 Pd2 S2 -","2","1","","Canovese, Luciano; Visentin, Fabiano; Chessa, Gavino; Uguagliati, Paolo; Levi, Carlo; Dolmella, Alessandro; Bandoli, Giuliano","Role of the Ligand and of the Size and Flexibility of the Palladium−Ancillary Ligand Cycle on the Reactivity of Substituted Alkynes toward Palladium(0) Complexes Bearing Potentially Terdentate Nitrogen−Sulfur−Nitrogen or Nitrogen−Nitrogen−Nitrogen Ligands: Kinetic and Structural Study","Organometallics","2006","25","22","5355","","10.1021/om0604728","","","0.71073","MoKα","","0.1089","0.0691","","","0.1945","0.2397","","","","","","0.929","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074223","15.923","0.003","8.691","0.002","21.598","0.004","90","","99.81","0.03","90","","2945.2","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Cl2 N2 O8 Pd S -","- C26 H26 Cl2 N2 O8 Pd S -","- C104 H104 Cl8 N8 O32 Pd4 S4 -","4","1","","Canovese, Luciano; Visentin, Fabiano; Chessa, Gavino; Uguagliati, Paolo; Levi, Carlo; Dolmella, Alessandro; Bandoli, Giuliano","Role of the Ligand and of the Size and Flexibility of the Palladium−Ancillary Ligand Cycle on the Reactivity of Substituted Alkynes toward Palladium(0) Complexes Bearing Potentially Terdentate Nitrogen−Sulfur−Nitrogen or Nitrogen−Nitrogen−Nitrogen Ligands: Kinetic and Structural Study","Organometallics","2006","25","22","5355","","10.1021/om0604728","","","0.71073","MoKα","","0.1776","0.0366","","","0.0454","0.0849","","","","","","0.575","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074224","15.718","0.002","18.68","0.002","8.5179","0.0007","92.017","0.007","94.372","0.009","100.092","0.009","2452.1","0.5","296.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H34 Cl2 Ir N3 -","- C22 H34 Cl2 Ir N3 -","- C88 H136 Cl8 Ir4 N12 -","4","2","","Hanasaka, Fumihiro; Fujita, Ken-ichi; Yamaguchi, Ryohei","Synthesis of New Iridium N-Heterocyclic Carbene Complexes Bearing a Functionalized Cp* Ligand and Their High Catalytic Activities in the Oppenauer-Type Oxidation of Alcohol","Organometallics","2006","25","19","4643","","10.1021/om060475k","","","0.7107","MoKα","","","0.04","","","","0.043","","","","","","0.798","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074225","23.287","0.004","11.9507","0.0017","25.667","0.004","90","","90.019","0.002","90","","7143","1.9","113.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C42 H30 Cl F5 P2 Pd -","- C42 H30 Cl F5 P2 Pd -","- C336 H240 Cl8 F40 P16 Pd8 -","8","2","","Kashiwabara, Taigo; Tanaka, Masato","Decarbonylative Coupling of Fluorobenzoyl Chlorides with Hexamethyldisilane in the Presence of a Palladium Complex Catalyst: Extremely Facile Decarbonylation of Pentafluorobenzoyl‒Pd Complex Relevant to C6F5SiMe3 Formation","Organometallics","2006","25","19","4648","4652","10.1021/om060479p","","","0.7107","MoKα","","","0.0597","","","","0.0773","","","","","","1.031","","","","has coordinates","209825","2020-10-21","18:00:00",""
"4074226","13.9464","0.0005","14.8743","0.0006","25.6457","0.0009","76.954","0.002","84.974","0.002","67.988","0.002","4804.9","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(K-crypt)3[Si9Zn(C6H5)]*2py","","- C70 H123 K3 N8 O18 Si9 Zn -","- C70 H120.765 K3 N8 O18 Si9 Zn -","- C140 H241.53 K6 N16 O36 Si18 Zn2 -","2","1","","Goicoechea, Jose M.; Sevov, Slavi C.","Organozinc Derivatives of Deltahedral Zintl Ions: Synthesis and Characterization ofcloso-[E9Zn(C6H5)]3-(E = Si, Ge, Sn, Pb)","Organometallics","2006","25","19","4530","","10.1021/om060481g","","","0.71073","MoKα","","0.1565","0.0853","","","0.2521","0.2939","","","","","","0.999","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074227","13.8684","0.0004","14.9256","0.0004","25.9765","0.0007","76.627","0.002","84.302","0.002","68.919","0.002","4880.3","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(K-crypt)3[Ge9Zn(C6H5)]*2en*tol","","- C71 H137 Ge9 K3 N10 O18 Zn -","- C71 H111.01 Ge9 K3 N10 O18 Zn -","- C142 H222.02 Ge18 K6 N20 O36 Zn2 -","2","1","","Goicoechea, Jose M.; Sevov, Slavi C.","Organozinc Derivatives of Deltahedral Zintl Ions: Synthesis and Characterization ofcloso-[E9Zn(C6H5)]3-(E = Si, Ge, Sn, Pb)","Organometallics","2006","25","19","4530","","10.1021/om060481g","","","0.71073","MoKα","","0.0647","0.0488","","","0.1434","0.1549","","","","","","1.092","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074228","13.6322","0.0004","24.4665","0.0008","28.037","0.0009","90","","94.295","0.002","90","","9325","0.5","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","(K-crypt)3[Sn9Zn(C6H5)]*tol","","- C67 H121 K3 N6 O18 Sn9 Zn -","- C67 H121 K3 N6 O18 Sn9 Zn -","- C268 H484 K12 N24 O72 Sn36 Zn4 -","4","1","","Goicoechea, Jose M.; Sevov, Slavi C.","Organozinc Derivatives of Deltahedral Zintl Ions: Synthesis and Characterization ofcloso-[E9Zn(C6H5)]3-(E = Si, Ge, Sn, Pb)","Organometallics","2006","25","19","4530","","10.1021/om060481g","","","0.71073","MoKα","","0.0603","0.0371","","","0.0658","0.0754","","","","","","1.068","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074229","15.8267","0.0004","22.446","0.0007","27.5057","0.0008","87.793","0.002","74.942","0.002","89.428","0.002","9428.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(K-crypt)6[Pb9Zn(C6H5)]2*2en*tol","","- C131 H250 K6 N16 O36 Pb18 Zn2 -","- C131 H250.04 K6 N16 O36 Pb18 Zn2 -","- C262 H500.08 K12 N32 O72 Pb36 Zn4 -","2","1","","Goicoechea, Jose M.; Sevov, Slavi C.","Organozinc Derivatives of Deltahedral Zintl Ions: Synthesis and Characterization ofcloso-[E9Zn(C6H5)]3-(E = Si, Ge, Sn, Pb)","Organometallics","2006","25","19","4530","","10.1021/om060481g","","","0.71073","MoKα","","0.0657","0.0416","","","0.1011","0.109","","","","","","1.066","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074230","12.731","0.003","14.117","0.003","29.964","0.006","90","","90","","90","","5385","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H28 Co2 O6 Si4 -","- C17 H28 Co2 O6 Si4 -","- C136 H224 Co16 O48 Si32 -","8","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.1015","0.0975","","","0.1867","0.1884","","","","","","1.404","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074231","9.6011","0.0019","9.874","0.002","15.963","0.003","90","","91.95","0.03","90","","1512.4","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H32 Co2 O6 Si4 -","- C23 H32 Co2 O6 Si4 -","- C46 H64 Co4 O12 Si8 -","2","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0347","0.0329","","","0.0669","0.0675","","","","","","1.083","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074232","14.197","0.003","6.0209","0.0012","20.974","0.004","90","","95.61","0.03","90","","1784.2","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H24 Si3 -","- C14 H24 Si3 -","- C56 H96 Si12 -","4","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0783","0.0697","","","0.1749","0.1813","","","","","","1.147","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074233","8.3963","0.0017","14.22","0.003","32.546","0.007","90","","94.61","0.03","90","","3873.3","1.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C17 H14 Co2 O6 Si -","- C17 H14 Co2 O6 Si -","- C136 H112 Co16 O48 Si8 -","8","2","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0731","0.0607","","","0.1229","0.129","","","","","","1.079","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074234","8.6734","0.0017","11.268","0.002","24.248","0.005","90","","91.57","0.03","90","","2368.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 Co2 O6 Si2 -","- C19 H20 Co2 O6 Si2 -","- C76 H80 Co8 O24 Si8 -","4","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.066","0.0428","","","0.0962","0.104","","","","","","0.919","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074235","7.9826","0.0016","15.895","0.003","16.094","0.003","101.32","0.03","98.75","0.03","97.44","0.03","1952.1","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 Co2 O7 Si -","- C17 H14 Co2 O7 Si -","- C68 H56 Co8 O28 Si4 -","4","2","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0721","0.0429","","","0.089","0.0964","","","","","","0.928","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074236","28.608","0.006","9.0551","0.0018","15.553","0.003","90","","113.67","0.03","90","","3690","1.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H22 Co4 O13 Si2 -","- C32 H22 Co4 O13 Si2 -","- C128 H88 Co16 O52 Si8 -","4","0.5","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0786","0.0711","","","0.1414","0.1446","","","","","","1.314","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074237","18.228","0.004","9.7071","0.0019","35.846","0.007","90","","90","","90","","6343","2","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C28 H28 Co2 O6 Si3 -","- C28 H28 Co2 O6 Si3 -","- C224 H224 Co16 O48 Si24 -","8","2","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0573","0.0487","","","0.1031","0.1076","","","","","","1.007","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074238","9.0537","0.0018","10.563","0.002","15.355","0.003","79.76","0.03","78.22","0.03","83.52","0.03","1410.2","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H14 Co4 O12 Si2 -","- C23 H14 Co4 O12 Si2 -","- C46 H28 Co8 O24 Si4 -","2","1","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0367","0.0316","","","0.0772","0.0799","","","","","","1.092","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074239","14.389","0.003","14.801","0.003","15.668","0.003","90","","110.96","0.03","90","","3116","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Co2 O6 Si2 -","- C10 H12 Co2 O6 Si2 -","- C80 H96 Co16 O48 Si16 -","8","2","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0754","0.0395","","","0.0833","0.094","","","","","","0.942","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074240","7.9782","0.0016","16.02","0.003","16.653","0.003","72.76","0.03","77.3","0.03","78.54","0.03","1962.6","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 Co4 Ge O13 -","- C13 Co4 Ge O13 -","- C52 Co16 Ge4 O52 -","4","2","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0594","0.0545","","","0.1416","0.1447","","","","","","1.085","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074241","15.84","0.003","9.4226","0.0019","15.874","0.003","90","","111.46","0.03","90","","2205","0.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H27 Co Ge O4 Si3 -","- C13 H27 Co Ge O4 Si3 -","- C52 H108 Co4 Ge4 O16 Si12 -","4","2","","Zirngast, Michaela; Marschner, Christoph; Baumgartner, Judith","Cobalt-Assisted Silicon−Silicon Bond Activation","Organometallics","2006","25","20","4897","","10.1021/om0604831","","","0.71073","MoKα","","0.0766","0.0746","","","0.1763","0.1782","","","","","","1.129","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074242","10.8817","0.0006","15.7284","0.0008","12.5031","0.0007","90","","101.85","0.001","90","","2094.3","0.2","123","2","123","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Y(GaMe~4~)~3~","","","- C12 H36 Ga3 Y -","- C12 H36 Ga3 Y -","- C48 H144 Ga12 Y4 -","4","0.5","","Dietrich, H. Martin; Meermann, Christian; Törnroos, Karl W.; Anwander, Reiner","Sounding out the Reactivity of Trimethylyttrium","Organometallics","2006","25","18","4316","","10.1021/om060488y","","","0.71073","MoKα","","0.0257","0.0227","","","0.0661","0.0677","","","","","","1.112","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074243","26.5475","0.0011","13.433","0.0005","25.2838","0.001","90","","116.12","0.001","90","","8095.7","0.6","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","[Y(OC~14~H~11~)~2~(μ-OC~14~H~11~)]~2~(fluorenone) mono toluene solvate","","","- C104 H82 O7 Y2 -","- C104 H82 O7 Y2 -","- C416 H328 O28 Y8 -","4","1","","Dietrich, H. Martin; Meermann, Christian; Törnroos, Karl W.; Anwander, Reiner","Sounding out the Reactivity of Trimethylyttrium","Organometallics","2006","25","18","4316","","10.1021/om060488y","","","0.71073","MoKα","","0.1384","0.0773","","","0.1506","0.171","","","","","","1.119","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074244","11.0213","0.0004","11.1534","0.0004","25.1661","0.0009","79.47","0.001","80.359","0.001","60.812","0.001","2644.17","0.17","123","2","123","2","","","","","","","","5","P -1","-P 1","2","[Y[N(SiHMe~2~)~2~]~2~[μ-N(SiHMe~2~)~2~]]~2~","","","- C24 H84 N6 Si12 Y2 -","- C24 H84 N6 Si12 Y2 -","- C48 H168 N12 Si24 Y4 -","2","1","","Dietrich, H. Martin; Meermann, Christian; Törnroos, Karl W.; Anwander, Reiner","Sounding out the Reactivity of Trimethylyttrium","Organometallics","2006","25","18","4316","","10.1021/om060488y","","","0.71073","MoKα","","0.0427","0.0286","","","0.0647","0.0703","","","","","","1.017","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074245","13.334","0.0001","8.558","0.0002","22.036","0.0004","90","","90","","90","","2514.58","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 Cl2 O2 Sb -","- C10 H13 Cl2 O2 Sb -","- C80 H104 Cl16 O16 Sb8 -","8","1","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0342","0.0261","","","0.06","0.0652","","","","","","1.14","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074246","10.632","0.0002","12.346","0.0002","14.875","0.0003","90","","102.15","0.0011","90","","1908.8","0.06","200","2","200","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 Cl2 O2 Sb -","- C16 H25 Cl2 O2 Sb -","- C64 H100 Cl8 O8 Sb4 -","4","1","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0266","0.0226","","","0.0531","0.0551","","","","","","1.057","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074247","14.028","0.0001","8.098","0.0002","25.426","0.0003","90","","90","","90","","2888.36","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","P b c a","-P 2ac 2ab","61","","","","- C10 H13 I2 O2 Sb -","- C10 H13 I2 O2 Sb -","- C80 H104 I16 O16 Sb8 -","8","1","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0239","0.0206","","","0.0477","0.0496","","","","","","1.136","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074248","8.488","0.0001","23.68","0.0004","9.921","0.0002","90","","94.291","0.001","90","","1988.49","0.06","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 I2 O2 Sb -","- C16 H25 I2 O2 Sb -","- C64 H100 I8 O8 Sb4 -","4","1","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0321","0.0251","","","0.0531","0.0563","","","","","","1.128","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074249","8.431","0.0003","8.913","0.0002","9.308","0.0003","67.242","0.0017","78.641","0.0016","77.349","0.0019","624.43","0.03","150","2","150","2","","","","","","","synthesized by the authors","5","P -1","-P 1","2","","","","- C10 H13 Bi Cl2 O2 -","- C10 H13 Bi Cl2 O2 -","- C20 H26 Bi2 Cl4 O4 -","2","1","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0233","0.0224","","","0.0544","0.0549","","","","","","1.096","","","","has coordinates","264242","2021-04-16","08:50:32",""
"4074250","12.747","0.0002","9.359","0.0002","16.85","0.0003","90","","109.464","0.0012","90","","1895.31","0.06","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H25 Bi Cl2 O2 -","- C16 H25 Bi Cl2 O2 -","- C64 H100 Bi4 Cl8 O8 -","4","1","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0331","0.0275","","","0.0658","0.0687","","","","","","1.066","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074251","15.608","0.0005","11.945","0.0003","8.585","0.0003","90","","117.121","0.0016","90","","1424.58","0.08","150","2","150","2","","","","","","","synthesized by the authors","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H13 Bi I2 O2 -","- C10 H13 Bi I2 O2 -","- C40 H52 Bi4 I8 O8 -","4","0.5","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0265","0.0256","","","0.0672","0.0678","","","","","","1.122","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074252","8.578","0.0002","23.451","0.0003","9.995","0.0002","90","","94.55","0.001","90","","2004.28","0.07","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Bi I2 O2 -","- C16 H25 Bi I2 O2 -","- C64 H100 Bi4 I8 O8 -","4","1","","Dostál, Libor; Císařová, Ivana; Jambor, Roman; Růžička, Aleš; Jirásko, Robert; Holeček, Jaroslav","Structural Diversity of Organoantimony(III) and Organobismuth(III) Dihalides Containing O,C,O-Chelating Ligands","Organometallics","2006","25","18","4366","","10.1021/om060489q","","","0.71073","MoKα","","0.0414","0.0297","","","0.0636","0.0688","","","","","","1.07","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074253","10.056","0.003","11.698","0.004","19.363","0.006","90","","93.428","0.004","90","","2273.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H64 N6 O2 S2 Yb2 -","- C44 H64 N6 O2 S2 Yb2 -","- C88 H128 N12 O4 S4 Yb4 -","2","0.5","","Ma, Liping; Zhang, Jie; Zhang, Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Organolanthanide Derivatives Containing theo-Aminothiophenolate Ligand toward Carbodiimide","Organometallics","2006","25","19","4571","","10.1021/om060491h","","","0.71073","MoKα","","0.0378","0.0301","","","0.0785","0.0835","","","","","","1.07","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074254","10.605","0.005","16.487","0.007","12.692","0.006","90","","92.591","0.006","90","","2216.9","1.8","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C44 H56 Dy2 N2 O3 S2 -","- C44 H56 Dy2 N2 O3 S2 -","- C88 H112 Dy4 N4 O6 S4 -","2","1","","Ma, Liping; Zhang, Jie; Zhang, Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Organolanthanide Derivatives Containing theo-Aminothiophenolate Ligand toward Carbodiimide","Organometallics","2006","25","19","4571","","10.1021/om060491h","","","0.71073","MoKα","","0.0605","0.0494","","","0.1205","0.129","","","","","","0.998","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074255","14.524","0.006","19.149","0.007","30.795","0.011","90","","96.285","0.005","90","","8513","6","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H56 Dy2 N4 O2 S2 -","- C42 H56 Dy2 N4 O2 S2 -","- C336 H448 Dy16 N32 O16 S16 -","8","1","","Ma, Liping; Zhang, Jie; Zhang, Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Organolanthanide Derivatives Containing theo-Aminothiophenolate Ligand toward Carbodiimide","Organometallics","2006","25","19","4571","","10.1021/om060491h","","","0.71073","MoKα","","0.061","0.0389","","","0.075","0.0819","","","","","","1.045","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4074256","10.986","0.003","10.686","0.003","17.002","0.005","90","","103.967","0.004","90","","1937","0.9","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H48 Dy2 N2 O2 S2 -","- C40 H48 Dy2 N2 O2 S2 -","- C80 H96 Dy4 N4 O4 S4 -","2","0.5","","Ma, Liping; Zhang, Jie; Zhang, Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Organolanthanide Derivatives Containing theo-Aminothiophenolate Ligand toward Carbodiimide","Organometallics","2006","25","19","4571","","10.1021/om060491h","","","0.71073","MoKα","","0.0618","0.0345","","","0.0599","0.0643","","","","","","0.854","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074257","10.086","0.004","11.719","0.004","19.487","0.007","90","","93.451","0.004","90","","2299.1","1.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H66 Dy2 N6 O2 S2 -","- C44 H66 Dy2 N6 O2 S2 -","- C88 H132 Dy4 N12 O4 S4 -","2","0.5","","Ma, Liping; Zhang, Jie; Zhang, Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Organolanthanide Derivatives Containing theo-Aminothiophenolate Ligand toward Carbodiimide","Organometallics","2006","25","19","4571","","10.1021/om060491h","","","0.71073","MoKα","","0.0431","0.03","","","0.0607","0.064","","","","","","0.909","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074258","16.236","0.008","14.542","0.007","16.236","0.008","90","","98.828","0.004","90","","3788","3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 Er N6 O S2 -","- C35 H53 Er N6 O S2 -","- C140 H212 Er4 N24 O4 S8 -","4","1","","Ma, Liping; Zhang, Jie; Zhang, Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Organolanthanide Derivatives Containing theo-Aminothiophenolate Ligand toward Carbodiimide","Organometallics","2006","25","19","4571","","10.1021/om060491h","","","0.71073","MoKα","","0.1136","0.0501","","","0.0827","0.0999","","","","","","0.971","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074259","8.822","0.0011","16.951","0.002","19.423","0.002","90","","100.784","0.002","90","","2853.3","0.6","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H40 N6 S2 -","- C26 H40 N6 S2 -","- C104 H160 N24 S8 -","4","1","","Ma, Liping; Zhang, Jie; Zhang, Zhengxing; Cai, Ruifang; Chen, Zhenxia; Zhou, Xigeng","Reactivity of Organolanthanide Derivatives Containing theo-Aminothiophenolate Ligand toward Carbodiimide","Organometallics","2006","25","19","4571","","10.1021/om060491h","","","0.71073","MoKα","","0.0834","0.0524","","","0.1332","0.1528","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074260","9.5039","0.0003","10.6594","0.0004","20.8233","0.0009","90","","101.66","0.002","90","","2065.99","0.14","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 Br2 N4 O4 Pd S2 -","- C38 H48 Br2 N4 O4 Pd S2 -","- C76 H96 Br4 N8 O8 Pd2 S4 -","2","0.5","","Boydston, Andrew J.; Rice, Jonathan D.; Sanderson, Matthew D.; Dykhno, Olga L.; Bielawski, Christopher W.","Synthesis and Study of Bidentate Benzimidazolylidene−Group 10 Metal Complexes and Related Main-Chain Organometallic Polymers","Organometallics","2006","25","26","6087","","10.1021/om060494u","","","0.71073","MoKα","","0.0628","0.0401","","","0.0894","0.1017","","","","","","1.054","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074261","12.499","0.0004","13.821","0.0005","18.559","0.0007","90.294","0.0015","102.592","0.0014","99.423","0.0014","3083.93","0.19","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 N4 O3 Pd -","- C34 H35 N4 O3 Pd -","- C136 H140 N16 O12 Pd4 -","4","2","","Boydston, Andrew J.; Rice, Jonathan D.; Sanderson, Matthew D.; Dykhno, Olga L.; Bielawski, Christopher W.","Synthesis and Study of Bidentate Benzimidazolylidene−Group 10 Metal Complexes and Related Main-Chain Organometallic Polymers","Organometallics","2006","25","26","6087","","10.1021/om060494u","","","0.71073","MoKα","","0.1618","0.0683","","","0.1011","0.124","","","","","","1.14","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074262","12.8694","0.0002","10.3815","0.0002","21.7249","0.0004","90","","96.904","0.001","90","","2881.48","0.09","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H34 N4 Ni O2 -","- C33.72 H32.6 N4 Ni O2 -","- C134.88 H130.4 N16 Ni4 O8 -","4","1","","Boydston, Andrew J.; Rice, Jonathan D.; Sanderson, Matthew D.; Dykhno, Olga L.; Bielawski, Christopher W.","Synthesis and Study of Bidentate Benzimidazolylidene−Group 10 Metal Complexes and Related Main-Chain Organometallic Polymers","Organometallics","2006","25","26","6087","","10.1021/om060494u","","","0.71073","MoKα","","0.0725","0.0407","","","0.0891","0.1004","","","","","","1.017","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074263","12.521","0.0005","13.87","0.0006","18.694","0.001","90.248","0.002","102.67","0.002","99.004","0.0017","3125.9","0.3","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H36 N4 O3 Pt -","- C34 H34 N4 O3 Pt -","- C136 H136 N16 O12 Pt4 -","4","2","","Boydston, Andrew J.; Rice, Jonathan D.; Sanderson, Matthew D.; Dykhno, Olga L.; Bielawski, Christopher W.","Synthesis and Study of Bidentate Benzimidazolylidene−Group 10 Metal Complexes and Related Main-Chain Organometallic Polymers","Organometallics","2006","25","26","6087","","10.1021/om060494u","","","0.71073","MoKα","","0.1179","0.0654","","","0.1355","0.1664","","","","","","1.018","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074264","11.427","0.002","18.567","0.003","18.542","0.003","90","","105.488","0.003","90","","3791.1","1.1","120","2","293","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H49 Mo2 O2 P Sn -","- C42 H49 Mo2 O2 P Sn -","- C168 H196 Mo8 O8 P4 Sn4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.","Dimolybdenum−Tin Derivatives of the Unsaturated Hydride [Mo2(η5-C5H5)2(μ-H)(μ-PCy2)(CO)2] and HSnR3(R = Ph, Bu): Bridging versus Terminal Coordination of the Triorganostannyl Group","Organometallics","2006","25","22","5374","","10.1021/om060495m","","x-ray","0.71073","MoKα","","0.0848","0.0383","","","0.071","0.0899","","","","","","1.073","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074265","11.7278","0.0019","14.627","0.002","22.86","0.004","90","","97.054","0.003","90","","3891.8","1.1","120","0.1","120","2","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C44 H47 Mo2 O4 P Sn -","- C44 H47 Mo2 O4 P Sn -","- C176 H188 Mo8 O16 P4 Sn4 -","4","1","","Alvarez, M. Angeles; García, M. Esther; Ramos, Alberto; Ruiz, Miguel A.","Dimolybdenum−Tin Derivatives of the Unsaturated Hydride [Mo2(η5-C5H5)2(μ-H)(μ-PCy2)(CO)2] and HSnR3(R = Ph, Bu): Bridging versus Terminal Coordination of the Triorganostannyl Group","Organometallics","2006","25","22","5374","","10.1021/om060495m","","x-ray","0.71073","MoKα","","0.1584","0.0608","","","0.1156","0.1581","","","","","","1.016","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074266","19.679","0.0018","9.672","0.0009","21.451","0.002","90","","95.435","0.002","90","","4064.5","0.7","115","2","115","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 P Rh -","- C25 H24 P Rh -","- C200 H192 P8 Rh8 -","8","2","","Câmpian, Marius V.; Harris, Jeremy L.; Jasim, Naser; Perutz, Robin N.; Marder, Todd B.; Whitwood, Adrian C.","Comparisons of Photoinduced Oxidative Addition of B−H, B−B, and Si−H Bonds at Rhodium(η5-cyclopentadienyl)phosphine Centers","Organometallics","2006","25","21","5093","","10.1021/om060500m","","","0.71073","MoKα","","0.0786","0.0349","","","0.0695","0.0822","","","","","","0.93","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074267","10.7234","0.0006","14.3049","0.0008","16.7704","0.001","90","","90","","90","","2572.5","0.3","115","2","115","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H17 F3 P Rh -","- C11 H17 F3 P Rh -","- C88 H136 F24 P8 Rh8 -","8","1","","Câmpian, Marius V.; Harris, Jeremy L.; Jasim, Naser; Perutz, Robin N.; Marder, Todd B.; Whitwood, Adrian C.","Comparisons of Photoinduced Oxidative Addition of B−H, B−B, and Si−H Bonds at Rhodium(η5-cyclopentadienyl)phosphine Centers","Organometallics","2006","25","21","5093","","10.1021/om060500m","","","0.71073","MoKα","","0.0284","0.0251","","","0.0645","0.0662","","","","","","1.033","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074268","10.7735","0.0007","10.9101","0.0007","11.7832","0.0007","77.068","0.001","77.854","0.001","77.895","0.001","1300.29","0.14","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H33 B O2 P Rh -","- C29 H33 B O2 P Rh -","- C58 H66 B2 O4 P2 Rh2 -","2","1","","Câmpian, Marius V.; Harris, Jeremy L.; Jasim, Naser; Perutz, Robin N.; Marder, Todd B.; Whitwood, Adrian C.","Comparisons of Photoinduced Oxidative Addition of B−H, B−B, and Si−H Bonds at Rhodium(η5-cyclopentadienyl)phosphine Centers","Organometallics","2006","25","21","5093","","10.1021/om060500m","","","0.71073","MoKα","","0.0243","0.0223","","","0.0574","0.0583","","","","","","1.06","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074269","12.001","0.0007","14.0158","0.0008","18.2082","0.0011","72.634","0.001","85.868","0.001","89.726","0.001","2915","0.3","115","2","115","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H68 B O2 P3 Rh2 -","- C70 H68 B O2 P3 Rh2 -","- C140 H136 B2 O4 P6 Rh4 -","2","1","","Câmpian, Marius V.; Harris, Jeremy L.; Jasim, Naser; Perutz, Robin N.; Marder, Todd B.; Whitwood, Adrian C.","Comparisons of Photoinduced Oxidative Addition of B−H, B−B, and Si−H Bonds at Rhodium(η5-cyclopentadienyl)phosphine Centers","Organometallics","2006","25","21","5093","","10.1021/om060500m","","","0.71073","MoKα","","0.0687","0.04","","","0.0838","0.096","","","","","","0.996","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074270","8.6515","0.0004","10.4606","0.0005","12.1019","0.0006","74.981","0.001","71.512","0.001","72.05","0.001","972.2","0.08","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H36 P Rh Si -","- C17 H36 P Rh Si -","- C34 H72 P2 Rh2 Si2 -","2","1","","Câmpian, Marius V.; Harris, Jeremy L.; Jasim, Naser; Perutz, Robin N.; Marder, Todd B.; Whitwood, Adrian C.","Comparisons of Photoinduced Oxidative Addition of B−H, B−B, and Si−H Bonds at Rhodium(η5-cyclopentadienyl)phosphine Centers","Organometallics","2006","25","21","5093","","10.1021/om060500m","","","0.71073","MoKα","","0.0166","0.0158","","","0.0407","0.0409","","","","","","1.049","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074271","13.5551","0.0015","10.2404","0.0011","19.151","0.002","90","","100.272","0.002","90","","2615.7","0.5","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cl2 P Rh -","- C30 H28 Cl2 P Rh -","- C120 H112 Cl8 P4 Rh4 -","4","1","","Câmpian, Marius V.; Harris, Jeremy L.; Jasim, Naser; Perutz, Robin N.; Marder, Todd B.; Whitwood, Adrian C.","Comparisons of Photoinduced Oxidative Addition of B−H, B−B, and Si−H Bonds at Rhodium(η5-cyclopentadienyl)phosphine Centers","Organometallics","2006","25","21","5093","","10.1021/om060500m","","","0.71073","MoKα","","0.0503","0.0364","","","0.0833","0.0887","","","","","","1.019","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074272","16.3432","0.0008","13.336","0.0007","19.0526","0.0009","90","","103.262","0.002","90","","4041.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 Cl3 K O12 Pt2 -","- C30 H54 Cl3 K O12 Pt2 -","- C120 H216 Cl12 K4 O48 Pt8 -","4","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia","The First Family of Platinum(IV) Acetonyl Complexes. Mono-, Bis-, and Tris(acetonyl) Derivatives†","Organometallics","2006","25","18","4404","","10.1021/om0605027","","","0.71073","MoKα","","0.0237","0.0217","","","0.0529","0.0537","","","","","","1.055","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074273","7.7305","0.0005","27.1799","0.0019","9.7153","0.0007","90","","111.032","0.001","90","","1905.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 Cl N2 O3 Pt -","- C19 H23 Cl N2 O3 Pt -","- C76 H92 Cl4 N8 O12 Pt4 -","4","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia","The First Family of Platinum(IV) Acetonyl Complexes. Mono-, Bis-, and Tris(acetonyl) Derivatives†","Organometallics","2006","25","18","4404","","10.1021/om0605027","","","0.71073","MoKα","","0.0238","0.0224","","","0.0504","0.0509","","","","","","1.187","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074274","10.7533","0.0006","11.5279","0.0006","12.4871","0.0007","89.267","0.002","72.36","0.002","78.155","0.002","1441.71","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H32 F3 N3 O6 Pt S -","- C25 H32 F3 N3 O6 Pt S -","- C50 H64 F6 N6 O12 Pt2 S2 -","2","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia","The First Family of Platinum(IV) Acetonyl Complexes. Mono-, Bis-, and Tris(acetonyl) Derivatives†","Organometallics","2006","25","18","4404","","10.1021/om0605027","","","0.71073","MoKα","","0.0316","0.0303","","","0.0706","0.0713","","","","","","1.134","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074275","6.7239","0.0008","10.6002","0.0007","11.6152","0.0011","92.998","0.006","105.748","0.009","106.808","0.006","755.03","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Cl3 N2 O Pt -","- C13 H13 Cl3 N2 O Pt -","- C26 H26 Cl6 N4 O2 Pt2 -","2","1","","Vicente, José; Arcas, Aurelia; Fernández-Hernández, Jesús M.; Bautista, Delia","The First Family of Platinum(IV) Acetonyl Complexes. Mono-, Bis-, and Tris(acetonyl) Derivatives†","Organometallics","2006","25","18","4404","","10.1021/om0605027","","","0.71073","MoKα","","0.0273","0.0237","","","0.0578","0.0585","","","","","","0.996","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074276","11.6652","0.0007","14.2846","0.0009","30.317","0.0019","90","","90","","90","","5051.8","0.5","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C29 H26 I N3 -","- C29 H26 I N3 -","- C232 H208 I8 N24 -","8","1","","Song, Zhiquan; Li, Yuxue; Liu, Meina; Cong, Liqing; Liu, Yuanhong","Regio- and Stereoselective Coupling of Heteroaryl-Substituted Alkynes: New Insights into the Mechanism of Zirconium-Mediated Cyclodimerization of Alkynes and a Facile Route to 3-Methylenecyclobutenes","Organometallics","2006","25","21","5035","","10.1021/om060505j","","","0.71073","MoKα","","0.0773","0.0438","","","0.0881","0.0958","","","","","","0.85","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074277","8.2698","0.0007","12.2681","0.001","13.0713","0.0011","90","","103.714","0.002","90","","1288.34","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Br N S -","- C14 H12 Br N S -","- C56 H48 Br4 N4 S4 -","4","1","","Yen, Swee Kuan; Koh, Lip Lin; Hahn, F. Ekkehardt; Huynh, Han Vinh; Hor, T. S. Andy","Convenient Entry to Mono- and Dinuclear Palladium(II) Benzothiazolin-2-ylidene Complexes and Their Activities toward Heck Coupling","Organometallics","2006","25","21","5105","","10.1021/om060510n","","","0.71073","MoKα","","0.0329","0.0266","","","0.0652","0.0676","","","","","","1.062","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074278","8.8511","0.0008","12.6296","0.0011","16.9529","0.0015","90","","92.234","0.002","90","","1893.7","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H18 Br2 N2 O Pd S -","- C17 H18 Br2 N2 O Pd S -","- C68 H72 Br8 N8 O4 Pd4 S4 -","4","1","","Yen, Swee Kuan; Koh, Lip Lin; Hahn, F. Ekkehardt; Huynh, Han Vinh; Hor, T. S. Andy","Convenient Entry to Mono- and Dinuclear Palladium(II) Benzothiazolin-2-ylidene Complexes and Their Activities toward Heck Coupling","Organometallics","2006","25","21","5105","","10.1021/om060510n","","","0.71073","MoKα","","0.0345","0.0261","","","0.0618","0.0643","","","","","","1.015","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074279","9.2077","0.0014","11.6041","0.0018","16.817","0.003","78.703","0.003","74.761","0.004","85.044","0.003","1698.9","0.5","223","2","223","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H23 Br4 Cl3 N2 Pd2 S2 -","- C29 H23 Br4 Cl3 N2 Pd2 S2 -","- C58 H46 Br8 Cl6 N4 Pd4 S4 -","2","1","","Yen, Swee Kuan; Koh, Lip Lin; Hahn, F. Ekkehardt; Huynh, Han Vinh; Hor, T. S. Andy","Convenient Entry to Mono- and Dinuclear Palladium(II) Benzothiazolin-2-ylidene Complexes and Their Activities toward Heck Coupling","Organometallics","2006","25","21","5105","","10.1021/om060510n","","","0.71073","MoKα","","0.0994","0.0594","","","0.1105","0.123","","","","","","1.068","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074280","6.9056","0.0006","6.8752","0.0006","20.0834","0.0017","90","","91.165","0.001","90","","953.31","0.14","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Cl4 Ir2 O2 -","- C16 H22 Cl4 Ir2 O2 -","- C32 H44 Cl8 Ir4 O4 -","2","0.5","","Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; López, Ana M.; Oñate, Enrique; Ruiz-Sánchez, Pilar","Iridium(I), Iridium(III), and Iridium(V) Complexes Containing the (2-Methoxyethyl)cyclopentadienyl Ligand†","Organometallics","2006","25","21","5131","","10.1021/om060511f","","","0.71073","MoKα","","0.0289","0.0234","","","0.0457","0.0468","","","","","","0.984","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074281","15.259","0.0009","8.6367","0.0005","22.3225","0.0013","90","","108.006","0.001","90","","2797.7","0.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C21 H38 B2 F8 Ir N2 O P -","- C21 H38 B2 F8 Ir N2 O P -","- C84 H152 B8 F32 Ir4 N8 O4 P4 -","4","1","","Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; López, Ana M.; Oñate, Enrique; Ruiz-Sánchez, Pilar","Iridium(I), Iridium(III), and Iridium(V) Complexes Containing the (2-Methoxyethyl)cyclopentadienyl Ligand†","Organometallics","2006","25","21","5131","","10.1021/om060511f","","","0.71073","MoKα","","0.0362","0.0275","","","0.0527","0.0545","","","","","","0.942","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074282","13.9744","0.0013","14.0514","0.0013","10.1937","0.001","90","","96.276","0.002","90","","1989.6","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 I3 Ir2 O2 -","- C16 H23 I3 Ir2 O2 -","- C64 H92 I12 Ir8 O8 -","4","0.5","","Esteruelas, Miguel A.; Fernández-Alvarez, Francisco J.; López, Ana M.; Oñate, Enrique; Ruiz-Sánchez, Pilar","Iridium(I), Iridium(III), and Iridium(V) Complexes Containing the (2-Methoxyethyl)cyclopentadienyl Ligand†","Organometallics","2006","25","21","5131","","10.1021/om060511f","","","0.71073","MoKα","","0.0438","0.0295","","","0.0468","0.0489","","","","","","0.917","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074283","14.644","0.0001","20.529","0.0002","22.644","0.0002","90","","104.403","0.0004","90","","6593.44","0.1","180","2","180","2","","","","","","","synthesized by the authors","6","C 1 2/c 1","-C 2yc","15","","","","- C47 H82 Ag B33 O4 Sn2 -","- C47 H82 Ag B33 O4 Sn2 -","- C188 H328 Ag4 B132 O16 Sn8 -","4","0.5","","Kašná, Blanka; Jambor, Roman; Dostál, Libor; Císařová, Ivana; Holeček, Jaroslav; Štíbr, Bohumil","Stabilization of Triaryltin(IV) Cations Containing an O,C,O-Coordinating Pincer-Type Ligand. Isolation of a New [Ag(1-CB11H12)3]2-Anion","Organometallics","2006","25","21","5139","","10.1021/om060516c","","","0.71073","MoKα","","0.0335","0.0285","","","0.0728","0.0757","","","","","","1.055","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074284","12.557","0.0004","13.493","0.0005","14.545","0.0003","64.615","0.0016","88.619","0.0016","65.708","0.0012","1994.32","0.11","150","2","150","2","","","","","","","synthesized by the authors","7","P -1","-P 1","2","","","","- C27 H46 B18 Cl3 Co O2 Sn -","- C27 H46 B18 Cl3 Co O2 Sn -","- C54 H92 B36 Cl6 Co2 O4 Sn2 -","2","1","","Kašná, Blanka; Jambor, Roman; Dostál, Libor; Císařová, Ivana; Holeček, Jaroslav; Štíbr, Bohumil","Stabilization of Triaryltin(IV) Cations Containing an O,C,O-Coordinating Pincer-Type Ligand. Isolation of a New [Ag(1-CB11H12)3]2-Anion","Organometallics","2006","25","21","5139","","10.1021/om060516c","","","0.71073","MoKα","","0.0821","0.0438","","","0.0808","0.094","","","","","","1.018","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074285","22.428","0.0001","14.053","0.0002","26.975","0.0003","90","","90","","90","","8502","0.16","150","2","150","2","","","","","","","synthesized by the authors","6","P b c a","-P 2ac 2ab","61","","","","- C32 H57 B18 Co O2 Sn -","- C32 H57 B18 Co O2 Sn -","- C256 H456 B144 Co8 O16 Sn8 -","8","1","","Kašná, Blanka; Jambor, Roman; Dostál, Libor; Císařová, Ivana; Holeček, Jaroslav; Štíbr, Bohumil","Stabilization of Triaryltin(IV) Cations Containing an O,C,O-Coordinating Pincer-Type Ligand. Isolation of a New [Ag(1-CB11H12)3]2-Anion","Organometallics","2006","25","21","5139","","10.1021/om060516c","","","0.71073","MoKα","","0.0889","0.047","","","0.1079","0.1273","","","","","","1.022","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074286","11.896","0.002","12.275","0.002","22.478","0.004","86.183","0.003","89.019","0.003","61.05","0.003","2865.4","0.8","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C27.3333 H38 Ag2 F6 N8.6667 O8 S2 -","- C27.3333 H38 Ag2 F6 N8.66667 O8 S2 -","- C82 H114 Ag6 F18 N26 O24 S6 -","3","1.5","","Nielsen, David J.; Cavell, Kingsley J.; Skelton, Brian W.; White, Allan H.","Silver(I) and Palladium(II) Complexes of an Ether-Functionalized Quasi-pincer Bis-carbene Ligand and Its Alkyl Analogue","Organometallics","2006","25","20","4850","","10.1021/om0605175","","","0.71073","MoKα","","0.082","0.051","","0.073","","0.065","","","1.153","","","1.251","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074287","15.599","0.003","6.435","0.001","17.479","0.003","90","","99.433","0.004","90","","1730.8","0.5","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C26 H40 Ag4 Br4 N8 -","- C26 H40 Ag4 Br4 N8 -","- C52 H80 Ag8 Br8 N16 -","2","0.5","","Nielsen, David J.; Cavell, Kingsley J.; Skelton, Brian W.; White, Allan H.","Silver(I) and Palladium(II) Complexes of an Ether-Functionalized Quasi-pincer Bis-carbene Ligand and Its Alkyl Analogue","Organometallics","2006","25","20","4850","","10.1021/om0605175","","","0.71073","MoKα","","0.084","0.077","","0.122","","0.119","","","1.175","","","1.197","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074288","11.685","0.0009","11.8826","0.0009","13.559","0.001","90","","93.115","0.002","90","","1879.9","0.2","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H21 B Cl F4 N5 O Pd -","- C14 H21 B Cl F4 N5 O Pd -","- C56 H84 B4 Cl4 F16 N20 O4 Pd4 -","4","1","","Nielsen, David J.; Cavell, Kingsley J.; Skelton, Brian W.; White, Allan H.","Silver(I) and Palladium(II) Complexes of an Ether-Functionalized Quasi-pincer Bis-carbene Ligand and Its Alkyl Analogue","Organometallics","2006","25","20","4850","","10.1021/om0605175","","","0.71073","MoKα","","0.07","0.036","","0.039","","0.034","","","0.947","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074289","12.5398","0.0003","15.8864","0.0004","20.9492","0.0005","73.012","0.001","88.179","0.001","80.249","0.001","3932.88","0.17","100","2","100","2","","","","","","","","8","P -1","-P 1","2","Compound 2","","","- C77 H86 B Cl2 F24 Mo N O3 -","- C77.007 H86.016 B Cl2 F24 Mo N O3 -","- C154.014 H172.032 B2 Cl4 F48 Mo2 N2 O6 -","2","1","","Tonzetich, Zachary J.; Jiang, Annie J.; Schrock, Richard R.; Müller, Peter","Cationic Imido Alkylidene Complexes of Molybdenum Supported by β-Diketonate and β-Diketiminate Ligands","Organometallics","2006","25","20","4725","","10.1021/om060518x","","","0.71073","MoKα","","0.0671","0.0578","","","0.1673","0.1763","","","","","","1.051","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074290","12.701","0.001","15.1067","0.0012","19.2234","0.0013","93.61","0.002","96.934","0.002","92.006","0.002","3650.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Compound 5","","","- C72 H56 B Cl6 F24 Mo N3 -","- C72 H56 B Cl6 F24 Mo N3 -","- C144 H112 B2 Cl12 F48 Mo2 N6 -","2","1","","Tonzetich, Zachary J.; Jiang, Annie J.; Schrock, Richard R.; Müller, Peter","Cationic Imido Alkylidene Complexes of Molybdenum Supported by β-Diketonate and β-Diketiminate Ligands","Organometallics","2006","25","20","4725","","10.1021/om060518x","","","0.71073","MoKα","","0.0795","0.0525","","","0.1238","0.1393","","","","","","1.018","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074291","9.164","0.0003","12.108","0.0004","21.654","0.0008","87.541","0.002","85.78","0.003","69.55","0.002","2244.77","0.14","220","2","220","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C24 H72 Ca Mg N4 Si8 -","- C24.054 H72.162 Ca Mg N4 Si8 -","- C48.108 H144.324 Ca2 Mg2 N8 Si16 -","2","1","","Wendell, Lauren T.; Bender, John; He, Xuyang; Noll, Bruce C.; Henderson, Kenneth W.","Heterodimetallic Alkaline Earth Metal Amides: Synthesis, Structure, and Solvent-Induced Charge Separation of Homoleptic Calcium−Magnesium Hexamethyldisilazide","Organometallics","2006","25","21","4953","","10.1021/om060521g","","x-ray","0.71073","MoKα","","0.0853","0.0544","","","0.1102","0.1243","","","","","","1.055","","","","has coordinates,has disorder","178631","2020-10-21","18:00:00",""
"4074292","8.0711","0.0009","10.0012","0.0011","19.182","0.002","86.711","0.002","85.086","0.002","68.912","0.002","1438.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H39 Mo2 O2 P -","- C30 H39 Mo2 O2 P -","- C60 H78 Mo4 O4 P2 -","2","1","","Amor, Inmaculada; García, M. Esther; Ruiz, Miguel A.; Sáez, David; Hamidov, Hayrullo; Jeffery, John C.","Formation and Cleavage of P−C, Mo−C, and C−H Bonds Involving Arylphosphinidene and Cyclopentadienyl Ligands at Dimolybdenum Centers","Organometallics","2006","25","20","4857","","10.1021/om0605229","","x-ray","0.71074","MoKα","","0.0333","0.0233","","","0.0545","0.0574","","","","","","1.024","","","","has coordinates","288091","2023-12-06","15:51:22",""
"4074293","31.069","0.006","11.668","0.002","18.673","0.004","90","","92.56","0.03","90","","6762","2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C70 H96 Mo4 N2 O4 P2 -","- C70 H96 Mo4 N2 O4 P2 -","- C280 H384 Mo16 N8 O16 P8 -","4","1","","Amor, Inmaculada; García, M. Esther; Ruiz, Miguel A.; Sáez, David; Hamidov, Hayrullo; Jeffery, John C.","Formation and Cleavage of P−C, Mo−C, and C−H Bonds Involving Arylphosphinidene and Cyclopentadienyl Ligands at Dimolybdenum Centers","Organometallics","2006","25","20","4857","","10.1021/om0605229","","x-ray","0.71074","MoKα","","0.0967","0.0888","","","0.2277","0.2326","","","","","","1.043","","","","has coordinates,has disorder","288091","2023-12-06","15:51:22",""
"4074294","10.559","0.002","22.18","0.004","14.337","0.003","90","","96.19","0.03","90","","3338.1","1.1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C34 H44 Cl Cu Mo2 O2 P -","- C34 H44 Cl Cu Mo2 O2 P -","- C136 H176 Cl4 Cu4 Mo8 O8 P4 -","4","1","","Amor, Inmaculada; García, M. Esther; Ruiz, Miguel A.; Sáez, David; Hamidov, Hayrullo; Jeffery, John C.","Formation and Cleavage of P−C, Mo−C, and C−H Bonds Involving Arylphosphinidene and Cyclopentadienyl Ligands at Dimolybdenum Centers","Organometallics","2006","25","20","4857","","10.1021/om0605229","","x-ray","0.71074","MoKα","","0.0549","0.0411","","","0.0855","0.0906","","","","","","1.064","","","","has coordinates","288091","2023-12-06","15:51:22",""
"4074295","14.008","0.0005","15.9391","0.0005","14.0745","0.0005","90","","90.194","0.001","90","","3142.46","0.19","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 Cl Cu Mo2 O3 P -","- C31 H39 Cl Cu Mo2 O3 P -","- C124 H156 Cl4 Cu4 Mo8 O12 P4 -","4","1","","Amor, Inmaculada; García, M. Esther; Ruiz, Miguel A.; Sáez, David; Hamidov, Hayrullo; Jeffery, John C.","Formation and Cleavage of P−C, Mo−C, and C−H Bonds Involving Arylphosphinidene and Cyclopentadienyl Ligands at Dimolybdenum Centers","Organometallics","2006","25","20","4857","","10.1021/om0605229","","x-ray","0.71074","MoKα","","0.048","0.0278","","","0.0608","0.0666","","","","","","1.003","","","","has coordinates","288091","2023-12-06","15:51:22",""
"4074296","16.6326","0.001","17.7374","0.001","23.2781","0.0013","78.961","0.001","75.591","0.001","73.828","0.001","6332.9","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H57 N6 Rh -","- C62 H57 N6 Rh -","- C248 H228 N24 Rh4 -","4","2","","Zhang, Lirong; Fung, Chun Wah; Chan, Kin Shing","Mechanistic Studies of Si−CN and C−NC Bond Activation of Silylnitriles and Alkyl Isonitriles by Rhodium Porphyrin Radical: Novel Cyanide Transfer","Organometallics","2006","25","22","5381","","10.1021/om0605276","","","0.71073","MoKα","","0.1933","0.0902","","","0.2825","0.332","","","","","","0.998","","","","has coordinates","178631","2020-10-21","18:00:00",""
"4074297","17.0381","0.0007","17.1927","0.0007","19.91","0.0008","90","","108.911","0.001","90","","5517.4","0.4","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H61 N2 Ni O P -","- C56 H61 N2 Ni O P -","- C224 H244 N8 Ni4 O4 P4 -","4","1","","Waltman, Andrew W.; Ritter, Tobias; Grubbs, Robert H.","Rearrangement of N-Heterocylic Carbenes Involving Heterocycle Cleavage","Organometallics","2006","25","18","4238","","10.1021/om060528y","","","0.71073","MoKα","","0.0567","0.0389","","","0.0698","0.071","","","","","","1.802","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4074298","10.466","0.0007","30.57","0.002","15.425","0.001","90","","102.905","0.001","90","","4810.5","0.5","98","2","98","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C59 H67 N2 Ni O P -","- C59 H67 N2 Ni O P -","- C236 H268 N8 Ni4 O4 P4 -","4","1","","Waltman, Andrew W.; Ritter, Tobias; Grubbs, Robert H.","Rearrangement of N-Heterocylic Carbenes Involving Heterocycle Cleavage","Organometallics","2006","25","18","4238","","10.1021/om060528y","","","0.71073","MoKα","","0.091","0.0484","","","0.0816","0.0879","","","","","","1.277","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4074299","24.675","0.004","6.7882","0.001","16.172","0.002","90","","95.473","0.002","90","","2696.4","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","05138","","","- C33.5 H31 Cl Cr2 -","- C30 H27 Cl Cr2 -","- C120 H108 Cl4 Cr8 -","4","1","","Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Brooks, Neil R.; Kucera, Benjamin E.; Young, Victor G.","High-Spin and Spin-Crossover Behavior in Monomethylated Bis(indenyl)chromium(II) Complexes","Organometallics","2006","25","21","4945","","10.1021/om060534u","","","0.71073","MoKα","","0.1619","0.0849","","","0.1924","0.219","","","","","","1.043","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074300","8.703","0.003","7.814","0.002","11.732","0.004","90","","99.357","0.006","90","","787.2","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","02125","","","- C20 H18 Cr -","- C20 H18 Cr -","- C40 H36 Cr2 -","2","0.5","","Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Brooks, Neil R.; Kucera, Benjamin E.; Young, Victor G.","High-Spin and Spin-Crossover Behavior in Monomethylated Bis(indenyl)chromium(II) Complexes","Organometallics","2006","25","21","4945","","10.1021/om060534u","","","0.71073","MoKα","","0.0792","0.0491","","","0.1128","0.1296","","","","","","1.052","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074301","12.266","0.003","9.718","0.002","12.391","0.003","90","","96.56","0.004","90","","1467.3","0.6","105","2","105","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","03031a","","","- C20 H18 Cr -","- C20 H18 Cr -","- C80 H72 Cr4 -","4","1","","Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Brooks, Neil R.; Kucera, Benjamin E.; Young, Victor G.","High-Spin and Spin-Crossover Behavior in Monomethylated Bis(indenyl)chromium(II) Complexes","Organometallics","2006","25","21","4945","","10.1021/om060534u","","","0.71073","MoKα","","0.0609","0.0477","","","0.124","0.1341","","","","","","1.078","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074302","12.3215","0.0012","9.7409","0.0009","12.5025","0.0012","90","","97.049","0.002","90","","1489.2","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","01308","","","- C20 H18 Cr -","- C20 H18 Cr -","- C80 H72 Cr4 -","4","1","","Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Brooks, Neil R.; Kucera, Benjamin E.; Young, Victor G.","High-Spin and Spin-Crossover Behavior in Monomethylated Bis(indenyl)chromium(II) Complexes","Organometallics","2006","25","21","4945","","10.1021/om060534u","","","0.71073","MoKα","","0.0471","0.0378","","","0.0932","0.1024","","","","","","1.048","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074303","12.438","0.004","9.792","0.003","12.739","0.004","90","","96.179","0.005","90","","1542.5","0.8","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","03012a","","","- C20 H18 Cr -","- C20 H18 Cr -","- C80 H72 Cr4 -","4","1","","Meredith, M. Brett; Crisp, Jeffrey A.; Brady, Erik D.; Hanusa, Timothy P.; Yee, Gordon T.; Brooks, Neil R.; Kucera, Benjamin E.; Young, Victor G.","High-Spin and Spin-Crossover Behavior in Monomethylated Bis(indenyl)chromium(II) Complexes","Organometallics","2006","25","21","4945","","10.1021/om060534u","","","0.71073","MoKα","","0.0587","0.0475","","","0.1324","0.1432","","","","","","1.063","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074304","9.4833","0.0009","12.6243","0.0013","19.2691","0.0019","90","","98.991","0.002","90","","2278.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H24 N P -","- C31 H24 N P -","- C124 H96 N4 P4 -","4","1","","Freund, Christelle; Barros, Noémi; Gornitzka, Heinz; Martin-Vaca, Blanca; Maron, Laurent; Bourissou, Didier","Enforced η1-Fluorenyl Coordination to Rhodium(I) with the [FluPPh2NPh]-Ligand","Organometallics","2006","25","20","4927","","10.1021/om0605377","","","0.71073","MoKα","","0.0716","0.044","","","0.1005","0.113","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074305","9.6858","0.0008","11.6141","0.001","13.675","0.0011","106.982","0.001","94.884","0.002","96.293","0.002","1451.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H31 N P Rh -","- C38 H31 N P Rh -","- C76 H62 N2 P2 Rh2 -","2","1","","Freund, Christelle; Barros, Noémi; Gornitzka, Heinz; Martin-Vaca, Blanca; Maron, Laurent; Bourissou, Didier","Enforced η1-Fluorenyl Coordination to Rhodium(I) with the [FluPPh2NPh]-Ligand","Organometallics","2006","25","20","4927","","10.1021/om0605377","","","0.71073","MoKα","","0.0505","0.0353","","","0.0777","0.0835","","","","","","1.02","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074306","38.889","0.006","10.2786","0.0013","35.177","0.004","90","","116.908","0.004","90","","12539","3","203","2","203","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H44 Li2 N6 O2 -","- C28 H44 Li2 N6 O2 -","- C448 H704 Li32 N96 O32 -","16","2","","Ong, Tiow-Gan; O'Brien, Julie S.; Korobkov, Ilia; Richeson, Darrin S.","Facile and Atom-Efficient Amidolithium-Catalyzed C‒C and C‒N Formation for the Construction of Substituted Guanidines and Propiolamidines","Organometallics","2006","25","20","4728","4730","10.1021/om060539r","","","0.71073","MoKα","","0.0958","0.0622","","","0.1566","0.1804","","","","","","1.018","","","","has coordinates","210319","2020-10-21","18:00:00",""
"4074307","10.3998","0.0014","19.173","0.003","9.2415","0.0012","90","","90","","90","","1842.7","0.4","198","2","198","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C17 H28 Li N3 O -","- C17 H28 Li N3 O -","- C68 H112 Li4 N12 O4 -","4","1","","Ong, Tiow-Gan; O'Brien, Julie S.; Korobkov, Ilia; Richeson, Darrin S.","Facile and Atom-Efficient Amidolithium-Catalyzed C‒C and C‒N Formation for the Construction of Substituted Guanidines and Propiolamidines","Organometallics","2006","25","20","4728","4730","10.1021/om060539r","","","0.71073","MoKα","","0.0736","0.0475","","","0.1006","0.1115","","","","","","1.03","","","","has coordinates","210319","2020-10-21","18:00:00",""
"4074308","16.9689","0.0016","12.9934","0.0012","13.3075","0.0013","90","","97.011","0.002","90","","2912.1","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H54 N4 O Si2 -","- C24 H54 N4 O Si2 -","- C96 H216 N16 O4 Si8 -","4","0.5","","Li, Wenjian; Hill, Nicholas J.; Tomasik, Adam C.; Bikzhanova, Galina; West, Robert","A New Monomeric Saturated N-Heterocyclic Silylene as a Racemic Mixture","Organometallics","2006","25","16","3802","","10.1021/om060544v","","","0.71073","Mo-Kα","","0.0542","0.0466","","","0.1217","0.1287","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074309","7.1046","0.0007","15.7731","0.0016","15.4582","0.0015","90","","98.539","0.002","90","","1713.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H26 Br2 N2 Si -","- C12 H26 Br2 N2 Si -","- C48 H104 Br8 N8 Si4 -","4","1","","Li, Wenjian; Hill, Nicholas J.; Tomasik, Adam C.; Bikzhanova, Galina; West, Robert","A New Monomeric Saturated N-Heterocyclic Silylene as a Racemic Mixture","Organometallics","2006","25","16","3802","","10.1021/om060544v","","","0.71073","Mo-Kα","","0.0751","0.0415","","","0.0966","0.1153","","","","","","1.151","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074310","7.157","0.0018","10.942","0.003","17.298","0.004","90","","95.285","0.005","90","","1348.9","0.6","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H52 N4 O2 Si2 -","- C24 H52 N4 O2 Si2 -","- C48 H104 N8 O4 Si4 -","2","0.5","","Li, Wenjian; Hill, Nicholas J.; Tomasik, Adam C.; Bikzhanova, Galina; West, Robert","A New Monomeric Saturated N-Heterocyclic Silylene as a Racemic Mixture","Organometallics","2006","25","16","3802","","10.1021/om060544v","","","0.71073","Mo-Kα","","0.0552","0.0454","","","0.1186","0.1279","","","","","","1.044","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074311","14.0824","0.0004","20.0887","0.0006","22.2465","0.0005","90","","99.805","0.001","90","","6201.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C64 H68 N3 O3 P Zr -","- C56 H59.2 N2.4 O2.4 P0.8 Zr0.8 -","- C280 H296 N12 O12 P4 Zr4 -","5","1.25","","Thomson, Robert K.; Bexrud, Jason A.; Schafer, Laurel L.","A Pentagonal Pyramidal Zirconium Imido Complex for Catalytic Hydroamination of Unactivated Alkenes","Organometallics","2006","25","17","4069","","10.1021/om060545n","","","0.71073","MoKα","","0.0576","0.0364","","","0.0921","0.1011","","","","","","1.031","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074312","20.8563","0.0014","9.1712","0.0006","18.3901","0.0012","90","","100.707","0.001","90","","3456.4","0.4","193","2","193","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","trans-tricyclohexylphosphino-tetracarbonyl-chromium-bis(trimethylsilyl) aminoborylene","trans-tricyclohexylphosphino-tetracarbonyl-chromium-bis(trimethylsilyl) aminoborylene","","- C28 H51 B Cr N O4 P Si2 -","- C28 H51 B Cr N O4 P Si2 -","- C112 H204 B4 Cr4 N4 O16 P4 Si8 -","4","1","","Braunschweig, Holger; Radacki, Krzysztof; Rais, Daniela; Uttinger, Katharina","Synthesis and Reactivity of Semibridging Borylene Complexes","Organometallics","2006","25","21","5159","","10.1021/om0605480","","","0.71073","MoKα","","0.0417","0.0383","","","0.1043","0.1074","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074313","10.293","0.004","16.264","0.007","21.535","0.009","90","","90.285","0.008","90","","3605","3","193","2","193","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","mu-borylenechromiumpalladium","mu-Carbonyl-mu-bis(trimethylsilyl)aminoborylene tetracarbonylchromiumtricyclohexylphosphinopalladium","","- C29 H51 B Cr N O5 P Pd Si2 -","- C29 H51 B Cr N O5 P Pd Si2 -","- C116 H204 B4 Cr4 N4 O20 P4 Pd4 Si8 -","4","1","","Braunschweig, Holger; Radacki, Krzysztof; Rais, Daniela; Uttinger, Katharina","Synthesis and Reactivity of Semibridging Borylene Complexes","Organometallics","2006","25","21","5159","","10.1021/om0605480","","","0.71073","MoKα","","0.0304","0.026","","","0.0662","0.0686","","","","","","1.04","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074314","12.1893","0.0003","13.438","0.0004","16.1074","0.0004","96.579","0.001","100.985","0.001","96.473","0.001","2548.38","0.12","100","2","100","2","","","","","","","","9","P -1","-P 1","2","","tricarbonyl-tricyclohexylphosphino-tungsten(mu-carbonyl) (mu-bis(trimethylsilyl)aminoborylene)tricyclohexylphosphino-platinum","","- C46 H84 B N O4 P2 Pt Si2 W -","- C46 H84 B N O4 P2 Pt Si2 W -","- C92 H168 B2 N2 O8 P4 Pt2 Si4 W2 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Rais, Daniela; Uttinger, Katharina","Synthesis and Reactivity of Semibridging Borylene Complexes","Organometallics","2006","25","21","5159","","10.1021/om0605480","","","0.71073","MoKα","","0.0247","0.0225","","","0.057","0.0584","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074315","8.4612","0.0017","16.31","0.003","22.242","0.004","90","","98.27","0.03","90","","3037.5","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H31 Cl2 Fe2 N O2 S -","- C32 H31 Cl2 Fe2 N O2 S -","- C128 H124 Cl8 Fe8 N4 O8 S4 -","4","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Unprecedented Zwitterionic Iminium−Chalcogenide Bridging Ligands in Diiron Complexes","Organometallics","2006","25","20","4808","","10.1021/om060550r","","","0.71073","MoKα","","0.0756","0.0498","","","0.1276","0.1409","","","","","","0.977","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074316","8.3952","0.0017","8.8375","0.0018","17.233","0.003","76.57","0.03","82.09","0.03","61.98","0.03","1097.2","0.5","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H25 Fe2 N O2 Se -","- C25 H25 Fe2 N O2 Se -","- C50 H50 Fe4 N2 O4 Se2 -","2","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Unprecedented Zwitterionic Iminium−Chalcogenide Bridging Ligands in Diiron Complexes","Organometallics","2006","25","20","4808","","10.1021/om060550r","","","0.71073","MoKα","","0.0774","0.0536","","","0.1311","0.1448","","","","","","0.987","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074317","10.498","0.002","13.149","0.003","16.805","0.003","90","","101.91","0.03","90","","2269.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Fe2 N O3 -","- C25 H25 Fe2 N O3 -","- C100 H100 Fe8 N4 O12 -","4","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Unprecedented Zwitterionic Iminium−Chalcogenide Bridging Ligands in Diiron Complexes","Organometallics","2006","25","20","4808","","10.1021/om060550r","","","0.71073","MoKα","","0.0665","0.0435","","","0.1082","0.1188","","","","","","1.001","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074318","9.5043","0.0019","10.032","0.002","10.085","0.002","113.79","0.03","102.08","0.03","95.94","0.03","841.2","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H19 Fe N O S -","- C18 H19 Fe N O S -","- C36 H38 Fe2 N2 O2 S2 -","2","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Unprecedented Zwitterionic Iminium−Chalcogenide Bridging Ligands in Diiron Complexes","Organometallics","2006","25","20","4808","","10.1021/om060550r","","","0.71073","MoKα","","0.0468","0.0425","","","0.1153","0.1201","","","","","","1.04","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074319","12.947","0.003","16.041","0.004","17.013","0.005","90","","90","","90","","3533.3","1.6","295","2","295","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H21 Fe N O S -","- C19 H21 Fe N O S -","- C152 H168 Fe8 N8 O8 S8 -","8","1","","Busetto, Luigi; Marchetti, Fabio; Zacchini, Stefano; Zanotti, Valerio","Unprecedented Zwitterionic Iminium−Chalcogenide Bridging Ligands in Diiron Complexes","Organometallics","2006","25","20","4808","","10.1021/om060550r","","","0.71073","MoKα","","0.1556","0.1156","","","0.1996","0.2183","","","","","","1.325","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074320","9.5171","0.0007","10.1009","0.0007","10.3488","0.0007","70.386","0.001","81.207","0.001","86.606","0.001","926.07","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H56 Li2 N2 O6 -","- C38 H56 Li2 N2 O6 -","- C38 H56 Li2 N2 O6 -","1","0.5","","Jantzi, Kevin L.; Guzei, Ilia A.; Reich, Hans J.","Solution and Solid-State Structures of Lithiated Phenyloxazolines","Organometallics","2006","25","22","5390","","10.1021/om060551j","","","0.71073","MoKα","","0.0693","0.0539","","","0.1419","0.1499","","","","","","0.995","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074321","11.3874","0.0008","12.8331","0.0009","15.1799","0.001","108.836","0.001","90.405","0.001","115.692","0.001","1863.6","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H56 Li2 N2 O4 -","- C38 H56 Li2 N2 O4 -","- C76 H112 Li4 N4 O8 -","2","1","","Jantzi, Kevin L.; Guzei, Ilia A.; Reich, Hans J.","Solution and Solid-State Structures of Lithiated Phenyloxazolines","Organometallics","2006","25","22","5390","","10.1021/om060551j","","","0.71073","MoKα","","0.0528","0.0467","","","0.1313","0.1356","","","","","","1.055","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074322","26.38","0.004","8.1346","0.0012","17.813","0.003","90","","105.124","0.002","90","","3690.1","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","1-(2,6-Diisopropylphenyl)-3-(3-sulfonatopropyl)imidazolium hemihydrate","","- C18 H27 N2 O3.5 S -","- C18 H27 N2 O3.5 S -","- C144 H216 N16 O28 S8 -","8","1","","Moore, Lucas R.; Cooks, Sheritta M.; Anderson, Matthew S.; Schanz, Hans-Jörg; Griffin, Scott T.; Rogers, Robin D.; Kirk, Marion C.; Shaughnessy, Kevin H.","Synthesis and Characterization of Water-Soluble Silver and Palladium Imidazol-2-ylidene Complexes with Noncoordinating Anionic Substituents","Organometallics","2006","25","21","5151","","10.1021/om060552b","","","0.71073","MoKα","","0.0696","0.0406","","","0.0936","0.1041","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074323","8.1383","0.001","8.3237","0.0011","12.7636","0.0017","81.437","0.002","81.868","0.002","78.118","0.002","831.16","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","1-Mesityl-3-(3-sulfonatopropyl)imidazolium hydrate","","- C15 H22 N2 O4 S -","- C15 H22 N2 O4 S -","- C30 H44 N4 O8 S2 -","2","1","","Moore, Lucas R.; Cooks, Sheritta M.; Anderson, Matthew S.; Schanz, Hans-Jörg; Griffin, Scott T.; Rogers, Robin D.; Kirk, Marion C.; Shaughnessy, Kevin H.","Synthesis and Characterization of Water-Soluble Silver and Palladium Imidazol-2-ylidene Complexes with Noncoordinating Anionic Substituents","Organometallics","2006","25","21","5151","","10.1021/om060552b","","","0.71073","MoKα","","0.0542","0.0416","","","0.1125","0.119","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074324","12.5852","0.001","12.9823","0.001","18.973","0.0015","104.37","0.001","103.996","0.001","98.913","0.001","2836.5","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","Bis(1-(2,6-Diisopropylphenyl)-3-(3-sulfonatopropyl)imidazol-2-ylidene) = silver sodium salt","","- C44 H74 Ag N4 Na O10 S6 -","- C44 H74 Ag N4 Na O10 S6 -","- C88 H148 Ag2 N8 Na2 O20 S12 -","2","1","","Moore, Lucas R.; Cooks, Sheritta M.; Anderson, Matthew S.; Schanz, Hans-Jörg; Griffin, Scott T.; Rogers, Robin D.; Kirk, Marion C.; Shaughnessy, Kevin H.","Synthesis and Characterization of Water-Soluble Silver and Palladium Imidazol-2-ylidene Complexes with Noncoordinating Anionic Substituents","Organometallics","2006","25","21","5151","","10.1021/om060552b","","","0.71073","MoKα","","0.0553","0.0476","","","0.1292","0.1359","","","","","","1.039","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074325","24.5187","0.0013","14.2738","0.0007","13.8951","0.0007","90","","116.712","0.001","90","","4344","0.4","260","2","260","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H4 F12 Hg3 O -","- C20.5 H4 F12 Hg3 O -","- C164 H32 F96 Hg24 O8 -","8","1","","Tikhonova, Irina A.; Yakovenko, Andrey A.; Tugashov, Kirill I.; Dolgushin, Fedor M.; Novikov, Valentin V.; Antipin, Mikhail Yu.; Shur, Vladimir B.","Selective Binding of the Keto Form of Acetylacetone by Cyclic Trimeric Perfluoro-o-phenylenemercury. Quantitative Shift of the Keto−Enol Equilibrium in Acetylacetone Toward Its Keto Form Stabilized by the Complexation","Organometallics","2006","25","26","6155","","10.1021/om060556g","","","0.71073","MoKα","","0.0896","0.0486","","","0.092","0.1018","","","","","","1.036","","","","has coordinates","273129","2022-02-23","10:11:33",""
"4074326","34.278","0.007","18.508","0.004","11.287","0.002","90","","97.78","0.03","90","","7095","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H27 P2 Tl -","- C15 H27 P2 Tl -","- C240 H432 P32 Tl16 -","16","2","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.1201","0.0854","","","0.1904","0.2077","","","","","","1.119","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074327","9.121","0.0002","18.126","0.0003","20.44","0.0004","90","","98.737","0.001","90","","3340.08","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 P4 Sn -","- C30 H54 P4 Sn -","- C120 H216 P16 Sn4 -","4","1","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.0638","0.0415","","","0.088","0.0972","","","","","","1.019","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074328","9.119","0.0002","18.113","0.0003","20.603","0.0004","90","","98.703","0.001","90","","3363.87","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 P4 Pb -","- C30 H54 P4 Pb -","- C120 H216 P16 Pb4 -","4","1","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.0746","0.0427","","","0.0884","0.1005","","","","","","1.022","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074329","13.249","0.003","17.212","0.003","22.615","0.005","87.67","0.03","83.94","0.03","89.49","0.03","5124.1","1.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H83 N3 P2 Sn -","- C52 H83 N3 P2 Sn -","- C208 H332 N12 P8 Sn4 -","4","2","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.1262","0.0693","","","0.1014","0.1158","","","","","","1.054","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074330","19.036","0.004","14.1","0.003","19.674","0.004","90","","117.6","0.03","90","","4680","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H75 N3 P2 Sn -","- C47 H75 N3 P2 Sn -","- C188 H300 N12 P8 Sn4 -","4","1","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.0712","0.055","","","0.1283","0.1368","","","","","","1.029","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074331","8.414","0.0017","11.287","0.002","17.484","0.004","104.26","0.03","90.6","0.03","93.64","0.03","1605.4","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H45 P3 Sn -","- C34 H45 P3 Sn -","- C68 H90 P6 Sn2 -","2","1","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.0256","0.0238","","","0.0563","0.0574","","","","","","1.013","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074332","10.548","0.002","16.508","0.003","19.768","0.004","90","","101.65","0.03","90","","3371.2","1.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 P3 Sn -","- C34 H45 P3 Sn -","- C136 H180 P12 Sn4 -","4","1","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.0913","0.0678","","","0.1493","0.1614","","","","","","1.061","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074333","10.659","0.002","16.457","0.003","19.767","0.004","90","","101.43","0.03","90","","3398.7","1.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H45 P3 Pb -","- C34 H45 P3 Pb -","- C136 H180 P12 Pb4 -","4","1","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.1111","0.0697","","","0.1197","0.1329","","","","","","1.121","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074334","9.907","0.002","34.873","0.007","10.523","0.002","90","","102.46","0.03","90","","3549.9","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H56 Cl N3 Sn -","- C37 H56 Cl N3 Sn -","- C148 H224 Cl4 N12 Sn4 -","4","1","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.0423","0.0294","","","0.061","0.065","","","","","","1.03","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074335","9.2399","0.0018","19.446","0.004","17.459","0.004","90","","98.03","0.03","90","","3106.3","1.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H48 Cl N3 Sn -","- C32 H48 Cl N3 Sn -","- C128 H192 Cl4 N12 Sn4 -","4","1","","Brym, Markus; Francis, Matthew D.; Jin, Guoxia; Jones, Cameron; Mills, David P.; Stasch, Andreas","Facile Transformations of a 1,3,5-Triphosphacyclohexadienyl Anion within the Coordination Sphere of Group 13 and 14 Elements: Synthesis of 1,3-Diphosphacyclopentadienyl Complexes and Phosphaorganometallic Cage Compounds","Organometallics","2006","25","20","4799","","10.1021/om0605581","","","0.71073","MoKα","","0.0425","0.0357","","","0.0844","0.0879","","","","","","1.052","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074336","9.6051","0.0013","9.9781","0.0013","10.4687","0.0014","111.552","0.002","90.165","0.002","108.708","0.002","875.5","0.2","273","2","273","2","","","","","","","","4","P 1","P 1","1","","(4aR,8aR)-tetrahydro-2,4,4,6,8,8-hexaphenyl-[1,3,2]dioxaborinino [5,4-d][1,3,2]dioxaborinine","","- C40 H32 B2 O5 -","- C40 H32 B2 O5 -","- C40 H32 B2 O5 -","1","1","","Zhou, Yan; Shan, Zixing; Wang, Baoshan; Xie, Peng","Hydrolytically Stable Tricoordinate Chiral Bicyclo[4.4.0]diboronic Ester: Synthesis, Structural Characterization, and Theoretical Investigation†","Organometallics","2006","25","20","4917","","10.1021/om060559t","","","0.71073","MoKα","","0.0773","0.0602","","","0.149","0.1654","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074337","6.1159","0.0004","13.2116","0.0014","19.8763","0.0016","90","","94.58","0.009","90","","1600.9","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H16 O6 Si -","- C16 H16 O6 Si -","- C64 H64 O24 Si4 -","4","0.5","","Ilg, Rainer; Burschka, Christian; Schepmann, Dirk; Wünsch, Bernhard; Tacke, Reinhold","Synthesis and Pharmacological Characterization of Sila-panamesine, a Sila-Analogue of the σ Receptor Ligand Panamesine (EMD 57445)","Organometallics","2006","25","22","5396","","10.1021/om060562c","","","0.71073","MoKα","","0.0448","0.038","","","0.1074","0.111","","","","","","1.085","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074338","6.3816","0.0006","18.6027","0.0014","13.6152","0.0012","90","","102.442","0.011","90","","1578.4","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O4 Si -","- C18 H16 O4 Si -","- C72 H64 O16 Si4 -","4","1","","Ilg, Rainer; Burschka, Christian; Schepmann, Dirk; Wünsch, Bernhard; Tacke, Reinhold","Synthesis and Pharmacological Characterization of Sila-panamesine, a Sila-Analogue of the σ Receptor Ligand Panamesine (EMD 57445)","Organometallics","2006","25","22","5396","","10.1021/om060562c","","","0.71073","MoKα","","0.0456","0.0336","","","0.0874","0.0914","","","","","","1.046","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074339","9.6792","0.0019","12.734","0.003","13.605","0.003","104.81","0.03","100.98","0.03","91.51","0.03","1586.5","0.7","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H32 O10 S2 Si -","- C32 H32 O10 S2 Si -","- C64 H64 O20 S4 Si2 -","2","1","","Ilg, Rainer; Burschka, Christian; Schepmann, Dirk; Wünsch, Bernhard; Tacke, Reinhold","Synthesis and Pharmacological Characterization of Sila-panamesine, a Sila-Analogue of the σ Receptor Ligand Panamesine (EMD 57445)","Organometallics","2006","25","22","5396","","10.1021/om060562c","","","0.71073","MoKα","","0.0609","0.0421","","","0.1097","0.1172","","","","","","1.043","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074340","10.3219","0.0006","11.117","0.0007","30.546","0.002","90","","90","","90","","3505.1","0.4","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C18 H20 Cl N O4 Si -","- C18 H20 Cl N O4 Si -","- C144 H160 Cl8 N8 O32 Si8 -","8","1","","Ilg, Rainer; Burschka, Christian; Schepmann, Dirk; Wünsch, Bernhard; Tacke, Reinhold","Synthesis and Pharmacological Characterization of Sila-panamesine, a Sila-Analogue of the σ Receptor Ligand Panamesine (EMD 57445)","Organometallics","2006","25","22","5396","","10.1021/om060562c","","","0.71073","MoKα","","0.0528","0.0373","","","0.0933","0.0998","","","","","","1.023","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074341","43.378","0.009","6.6111","0.0013","9.4509","0.0019","90","","99.34","0.03","90","","2674.4","1","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H30 N2 O7 Si -","- C29 H30 N2 O7 Si -","- C116 H120 N8 O28 Si4 -","4","1","","Ilg, Rainer; Burschka, Christian; Schepmann, Dirk; Wünsch, Bernhard; Tacke, Reinhold","Synthesis and Pharmacological Characterization of Sila-panamesine, a Sila-Analogue of the σ Receptor Ligand Panamesine (EMD 57445)","Organometallics","2006","25","22","5396","","10.1021/om060562c","","","0.71073","MoKα","","0.0444","0.0288","","","0.0556","0.0598","","","","","","0.908","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074342","12.3275","0.0002","17.0832","0.0003","19.6578","0.0004","101.451","0.001","103.195","0.001","103.745","0.001","3772.65","0.12","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C74 H88 N4 Na4 P4 Si4 -","- C74 H88 N4 Na4 P4 Si4 -","- C148 H176 N8 Na8 P8 Si8 -","2","1","","Hull, Katherine L.; Noll, Bruce C.; Henderson, Kenneth W.","Structural Characterization and Dynamic Solution Behavior of the Disodio and Lithio−Sodio Geminal Organodimetallics [{{Ph2P(Me3Si)N}2CNa2}2] and [{{Ph2P(Me3Si)N}2CLiNa}2]","Organometallics","2006","25","17","4072","","10.1021/om0605635","","x-ray","0.71073","MoKα","","0.0408","0.0324","","","0.0848","0.0921","","","","","","1.04","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074343","14.57","0.0006","14.5952","0.0006","18.6933","0.0008","91.53","0.003","105.048","0.002","104.295","0.002","3702.4","0.3","100","2","100","2","","","","","","","synthesized","7","P -1","-P 1","2","","","","- C74 H88 Li2 N4 Na2 P4 Si4 -","- C74 H88 Li2 N4 Na2 P4 Si4 -","- C148 H176 Li4 N8 Na4 P8 Si8 -","2","1","","Hull, Katherine L.; Noll, Bruce C.; Henderson, Kenneth W.","Structural Characterization and Dynamic Solution Behavior of the Disodio and Lithio−Sodio Geminal Organodimetallics [{{Ph2P(Me3Si)N}2CNa2}2] and [{{Ph2P(Me3Si)N}2CLiNa}2]","Organometallics","2006","25","17","4072","","10.1021/om0605635","","x-ray","0.71073","MoKα","","0.0878","0.0404","","","0.0929","0.1195","","","","","","1.057","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074344","10.007","","13.1496","0.0002","21.9466","0.0003","84.321","0.001","89.819","0.001","71.355","0.001","2721.67","0.06","566","2","566","2","","","","","","","","5","P -1","-P 1","2","","","","- C83 H14 N2 O7 Os3 -","- C83 H14 N2 O7 Os3 -","- C166 H28 N4 O14 Os6 -","2","1","","Lee, Chang Yeon; Park, Bo Keun; Yoon, Jung Hee; Hong, Chang Seop; Park, Joon T.","Syntheses, Structures, and Electrochemical Properties of Os3(CO)9-n(CNCH2Ph)n(μ3-η2:η2:η2-C60) (n= 2−4)","Organometallics","2006","25","19","4634","","10.1021/om060566h","","","0.71073","MoKα","","0.0906","0.071","","","0.2083","0.227","","","","","","1.037","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074345","12.794","0.003","32.934","0.007","13.326","0.003","90","","93.81","0.03","90","","5603","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H21 N3 O6 Os3 -","- C90 H21 N3 O6 Os3 -","- C360 H84 N12 O24 Os12 -","4","1","","Lee, Chang Yeon; Park, Bo Keun; Yoon, Jung Hee; Hong, Chang Seop; Park, Joon T.","Syntheses, Structures, and Electrochemical Properties of Os3(CO)9-n(CNCH2Ph)n(μ3-η2:η2:η2-C60) (n= 2−4)","Organometallics","2006","25","19","4634","","10.1021/om060566h","","","0.71073","MoKα","","0.102","0.0587","","","0.1157","0.129","","","","","","1.025","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074346","9.9255","0.0007","14.3279","0.0009","22.9116","0.0015","73.164","0.002","83.004","0.002","75.24","0.002","3011.7","0.3","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C97 H28 N4 O5 Os3 -","- C97 H28 N4 O5 Os3 -","- C194 H56 N8 O10 Os6 -","2","1","","Lee, Chang Yeon; Park, Bo Keun; Yoon, Jung Hee; Hong, Chang Seop; Park, Joon T.","Syntheses, Structures, and Electrochemical Properties of Os3(CO)9-n(CNCH2Ph)n(μ3-η2:η2:η2-C60) (n= 2−4)","Organometallics","2006","25","19","4634","","10.1021/om060566h","","","0.71073","MoKα","","0.0992","0.0624","","","0.1524","0.1797","","","","","","1.028","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074347","7.5461","0.0008","18.4617","0.0019","13.6904","0.0014","90","","100.049","0.001","90","","1878","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N P -","- C20 H28 N P -","- C80 H112 N4 P4 -","4","1","","Ghesner, Ioan; Fenwick, Andrew; Stephan, Douglas W.","Di-tert-butylbiphenylphosphinimide Titanium and Zirconium Complexes: Pendant Arene−Metal Interactions","Organometallics","2006","25","21","4985","","10.1021/om060569u","","","0.71073","MoKα","","0.0567","0.0446","","","0.1191","0.1305","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074348","9.898","0.0016","18.636","0.003","12.627","0.002","90","","92.086","0.002","90","","2327.6","0.6","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H27 Cl3 N P Ti -","- C20 H27 Cl3 N P Ti -","- C80 H108 Cl12 N4 P4 Ti4 -","4","1","","Ghesner, Ioan; Fenwick, Andrew; Stephan, Douglas W.","Di-tert-butylbiphenylphosphinimide Titanium and Zirconium Complexes: Pendant Arene−Metal Interactions","Organometallics","2006","25","21","4985","","10.1021/om060569u","","","0.71073","MoKα","","0.0455","0.0371","","","0.1002","0.1075","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074349","10.1625","0.0018","23.486","0.004","11.204","0.002","90","","115.851","0.002","90","","2406.5","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 N P Ti -","- C23 H36 N P Ti -","- C92 H144 N4 P4 Ti4 -","4","1","","Ghesner, Ioan; Fenwick, Andrew; Stephan, Douglas W.","Di-tert-butylbiphenylphosphinimide Titanium and Zirconium Complexes: Pendant Arene−Metal Interactions","Organometallics","2006","25","21","4985","","10.1021/om060569u","","","0.71073","MoKα","","0.064","0.0471","","","0.1467","0.1926","","","","","","0.743","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074350","36.987","0.007","8.9097","0.0017","20.268","0.004","90","","120.594","0.002","90","","5749.4","1.9","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H45 N4 P Ti -","- C26 H45 N4 P Ti -","- C208 H360 N32 P8 Ti8 -","8","1","","Ghesner, Ioan; Fenwick, Andrew; Stephan, Douglas W.","Di-tert-butylbiphenylphosphinimide Titanium and Zirconium Complexes: Pendant Arene−Metal Interactions","Organometallics","2006","25","21","4985","","10.1021/om060569u","","","0.71073","MoKα","","0.0963","0.0589","","","0.1573","0.1868","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074351","11.705","0.011","16.532","0.015","18.632","0.017","89.866","0.01","89.743","0.009","84.667","0.01","3590","6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H54 N4 P Zr -","- C32 H54 N4 P Zr -","- C128 H216 N16 P4 Zr4 -","4","2","","Ghesner, Ioan; Fenwick, Andrew; Stephan, Douglas W.","Di-tert-butylbiphenylphosphinimide Titanium and Zirconium Complexes: Pendant Arene−Metal Interactions","Organometallics","2006","25","21","4985","","10.1021/om060569u","","","0.71073","MoKα","","0.069","0.0477","","","0.1285","0.1502","","","","","","1.014","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074352","15.766","0.004","10.345","0.003","15.789","0.004","90","","105.277","0.002","90","","2484.2","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 N P Zr -","- C23 H36 N P Zr -","- C92 H144 N4 P4 Zr4 -","4","1","","Ghesner, Ioan; Fenwick, Andrew; Stephan, Douglas W.","Di-tert-butylbiphenylphosphinimide Titanium and Zirconium Complexes: Pendant Arene−Metal Interactions","Organometallics","2006","25","21","4985","","10.1021/om060569u","","","0.71073","MoKα","","0.0672","0.0379","","","0.0863","0.0963","","","","","","0.728","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074353","10.176","0.002","32.413","0.008","14.192","0.003","90","","102.166","0.003","90","","4575.9","1.7","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H60 Cl2 N2 P2 Ti -","- C46 H60 Cl2 N2 P2 Ti -","- C184 H240 Cl8 N8 P8 Ti4 -","4","1","","Ghesner, Ioan; Fenwick, Andrew; Stephan, Douglas W.","Di-tert-butylbiphenylphosphinimide Titanium and Zirconium Complexes: Pendant Arene−Metal Interactions","Organometallics","2006","25","21","4985","","10.1021/om060569u","","","0.71073","MoKα","","0.098","0.0518","","","0.1195","0.1474","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074354","10.881","0.008","14.128","0.009","19.276","0.014","76.05","0.012","85.226","0.011","84.859","0.012","2858","3","243","2","243","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H22 B Cl5 N6 S3 Zr -","- C18 H22 B Cl5 N6 S3 Zr -","- C72 H88 B4 Cl20 N24 S12 Zr4 -","4","2","","Buccella, Daniela; Shultz, Abraham; Melnick, Jonathan G.; Konopka, Felicia; Parkin, Gerard","Cp[TmMe]ZrCl2, a Tris(2-mercapto-1-methylimidazolyl)hydroborato Complex of Zirconium and a New Type of Precatalyst for Olefin Polymerization","Organometallics","2006","25","22","5496","","10.1021/om060571l","","","0.71073","MoKα","","0.0949","0.0711","","","0.1997","0.2196","","","","","","1.049","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074355","31.623","0.005","19.517","0.005","20.576","0.005","90","","125.645","0.005","90","","10320","4","293","2","293","2","","","","","","","synthesis as described","7","C 1 2/c 1","-C 2yc","15","","","","- C54 H59 Cl2 F6 Fe P3 Ru -","- C54.5 H60 Cl F6 Fe P3 Ru -","- C436 H480 Cl8 F48 Fe8 P24 Ru8 -","8","1","","Shaw-Taberlet, Jennifer A.; Sinbandhit, Sourisak; Roisnel, Thierry; Hamon, Jean-René; Lapinte, Claude","Stereoelectronic Effects of the Arenophile (η5-Cp*)Ru+in Electron-Rich σ-Arylacetylide Iron Complexes Including Redox-Driven Haptotropic Rearrangement: An Approach toward Readable Binary Molecular Memory Components","Organometallics","2006","25","22","5311","","10.1021/om060575q","","x-ray","0.71069","MoKα","","0.1082","0.048","","","0.1034","0.1454","","","","","","1.145","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074356","8.549","0.0004","11.9143","0.0006","19.4745","0.0009","91.627","0.002","100.166","0.003","103.78","0.002","1891.09","0.16","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C48 H46 Fe P2 -","- C48 H46 Fe P2 -","- C96 H92 Fe2 P4 -","2","1","","Shaw-Taberlet, Jennifer A.; Sinbandhit, Sourisak; Roisnel, Thierry; Hamon, Jean-René; Lapinte, Claude","Stereoelectronic Effects of the Arenophile (η5-Cp*)Ru+in Electron-Rich σ-Arylacetylide Iron Complexes Including Redox-Driven Haptotropic Rearrangement: An Approach toward Readable Binary Molecular Memory Components","Organometallics","2006","25","22","5311","","10.1021/om060575q","","x-ray","0.71073","MoKα","","0.0612","0.0426","","","0.1062","0.1201","","","","","","1.117","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074357","12.611","0.005","15.465","0.005","15.726","0.005","73.519","0.005","79.923","0.005","72.445","0.005","2790.6","1.7","293","2","293","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C59 H63 Cl2 F6 Fe P3 Ru -","- C59 H63 Cl2 F6 Fe P3 Ru -","- C118 H126 Cl4 F12 Fe2 P6 Ru2 -","2","1","","Shaw-Taberlet, Jennifer A.; Sinbandhit, Sourisak; Roisnel, Thierry; Hamon, Jean-René; Lapinte, Claude","Stereoelectronic Effects of the Arenophile (η5-Cp*)Ru+in Electron-Rich σ-Arylacetylide Iron Complexes Including Redox-Driven Haptotropic Rearrangement: An Approach toward Readable Binary Molecular Memory Components","Organometallics","2006","25","22","5311","","10.1021/om060575q","","x-ray","0.71069","MoKα","","0.0845","0.0565","","","0.1669","0.1941","","","","","","1.026","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074358","16.716","0.002","17.619","0.003","23.037","0.004","75.913","0.014","71.718","0.013","62.844","0.011","5691.7","1.7","100","2","100","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C128 H138 F12 Fe2 O3 P6 Ru2 -","- C128 H138 F12 Fe2 O3 P6 Ru2 -","- C256 H276 F24 Fe4 O6 P12 Ru4 -","2","1","","Shaw-Taberlet, Jennifer A.; Sinbandhit, Sourisak; Roisnel, Thierry; Hamon, Jean-René; Lapinte, Claude","Stereoelectronic Effects of the Arenophile (η5-Cp*)Ru+in Electron-Rich σ-Arylacetylide Iron Complexes Including Redox-Driven Haptotropic Rearrangement: An Approach toward Readable Binary Molecular Memory Components","Organometallics","2006","25","22","5311","","10.1021/om060575q","","x-ray","0.71073","MoKα","","0.0962","0.0568","","","0.1332","0.1522","","","","","","1.044","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074359","14.684","0.002","16.898","0.002","19.798","0.002","90","","90.927","0.008","90","","4911.8","1","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C53 H70 Cl N3 O2 P Rh -","- C53 H70 Cl N3 O2 P Rh -","- C212 H280 Cl4 N12 O8 P4 Rh4 -","4","1","","Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.","Rhodium(III) Peroxo Complexes Containing Carbene and Phosphine Ligands","Organometallics","2006","25","20","4870","","10.1021/om060576i","","","0.71069","MoKα","","0.0907","0.0398","","","0.0549","0.0613","","","","","","0.822","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074360","12.0059","0.0004","31.748","0.0012","10.2883","0.0004","90","","108.068","0.002","90","","3728.1","0.2","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H44 Cl N3 O2 P Rh -","- C41 H44 Cl N3 O2 P Rh -","- C164 H176 Cl4 N12 O8 P4 Rh4 -","4","1","","Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.","Rhodium(III) Peroxo Complexes Containing Carbene and Phosphine Ligands","Organometallics","2006","25","20","4870","","10.1021/om060576i","","","0.71073","MoKα","","0.043","0.03","","","0.0678","0.0723","","","","","","1.046","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074361","10.7428","0.0008","12.6053","0.0012","28.474","0.002","90","","90","","90","","3855.8","0.5","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H41 Cl N O2 P2 Rh -","- C44 H41 Cl N O2 P2 Rh -","- C176 H164 Cl4 N4 O8 P8 Rh4 -","4","1","","Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.","Rhodium(III) Peroxo Complexes Containing Carbene and Phosphine Ligands","Organometallics","2006","25","20","4870","","10.1021/om060576i","","","0.71073","MoKα","","0.066","0.0415","","","0.0887","0.1001","","","","","","0.979","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074362","8.182","0.0008","15.327","0.0012","11.917","0.0016","90","","108.192","0.008","90","","1419.8","0.3","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H16 Cl2 N4 Pd -","- C11 H16 Cl2 N4 Pd -","- C44 H64 Cl8 N16 Pd4 -","4","2","","Ahrens, Sebastian; Zeller, Alexander; Taige, Maria; Strassner, Thomas","Extension of the Alkane Bridge in BisNHC−Palladium−Chloride Complexes. Synthesis, Structure, and Catalytic Activity","Organometallics","2006","25","22","5409","","10.1021/om060577a","","","0.71073","MoKα","","0.0251","0.0231","","","0.0565","0.0578","","","","","","1.08","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074363","8.718","0.0008","9.056","0.0006","12.966","0.0016","75.813","0.007","84.518","0.009","78.738","0.006","972.11","0.17","198","2","198","2","","","","","","","","7","P -1","-P 1","2","","","","- C14 H24 Cl2 N4 O Pd S -","- C14 H24 Cl2 N4 O Pd S -","- C28 H48 Cl4 N8 O2 Pd2 S2 -","2","1","","Ahrens, Sebastian; Zeller, Alexander; Taige, Maria; Strassner, Thomas","Extension of the Alkane Bridge in BisNHC−Palladium−Chloride Complexes. Synthesis, Structure, and Catalytic Activity","Organometallics","2006","25","22","5409","","10.1021/om060577a","","","0.71073","MoKα","","0.0295","0.025","","","0.06","0.0625","","","","","","1.059","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074364","7.78","0.0005","8.219","0.0005","13.702","0.0006","92.519","0.006","102.089","0.006","104.242","0.005","826.17","0.09","183","2","183","2","","","","","","","","7","P -1","-P 1","2","","","","- C11 H18 Cl2 N4 O Pd S -","- C11 H18 Cl2 N4 O Pd S -","- C22 H36 Cl4 N8 O2 Pd2 S2 -","2","1","","Ahrens, Sebastian; Zeller, Alexander; Taige, Maria; Strassner, Thomas","Extension of the Alkane Bridge in BisNHC−Palladium−Chloride Complexes. Synthesis, Structure, and Catalytic Activity","Organometallics","2006","25","22","5409","","10.1021/om060577a","","","0.71073","MoKα","","0.0139","0.0132","","","0.0341","0.0344","","","","","","1.004","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074365","10.14","0.0015","8.394","0.0004","15.221","0.002","90","","90","","90","","1295.5","0.3","198","2","198","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 Cl2 N4 Pd -","- C10 H14 Cl2 N4 Pd -","- C40 H56 Cl8 N16 Pd4 -","4","1","","Ahrens, Sebastian; Zeller, Alexander; Taige, Maria; Strassner, Thomas","Extension of the Alkane Bridge in BisNHC−Palladium−Chloride Complexes. Synthesis, Structure, and Catalytic Activity","Organometallics","2006","25","22","5409","","10.1021/om060577a","","","0.71073","MoKα","","0.0233","0.0188","","","0.0374","0.0384","","","","","","1.042","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074366","8.269","0.001","16.138","0.001","21.988","0.001","90","","95.745","0.001","90","","2919.5","0.4","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 B N8 O5 P W -","- C24 H36 B N8 O5 P W -","- C96 H144 B4 N32 O20 P4 W4 -","4","1","","Welch, Kevin D.; Smith, Philip L.; Keller, Andrew P.; Myers, William H.; Sabat, Michal; Harman, W. Dean","Osmium(II)-, Rhenium(I)-, and Tungsten(0)-Promoted Dipolar Cycloaddition Reactions with Pyrroles: Exploiting the Azomethine Ylide Character of This Heterocycle","Organometallics","2006","25","21","5067","","10.1021/om060586j","","","0.71074","MoKα","","0.0739","0.0433","","","0.0943","0.1033","","","","","","1.052","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074367","10.3411","0.0006","21.7042","0.0013","15.9464","0.001","90","","108.795","0.001","90","","3388.2","0.4","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H33 B N9 O5 Re -","- C26 H33 B N9 O5 Re -","- C104 H132 B4 N36 O20 Re4 -","4","1","","Welch, Kevin D.; Smith, Philip L.; Keller, Andrew P.; Myers, William H.; Sabat, Michal; Harman, W. Dean","Osmium(II)-, Rhenium(I)-, and Tungsten(0)-Promoted Dipolar Cycloaddition Reactions with Pyrroles: Exploiting the Azomethine Ylide Character of This Heterocycle","Organometallics","2006","25","21","5067","","10.1021/om060586j","","","0.71073","MoKα","","0.0411","0.0321","","","0.1067","0.1088","","","","","","1.094","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074368","10.571","0.0008","17.7226","0.0014","17.9379","0.0015","90","","90","","90","","3360.6","0.5","293","2","293","2","","","","","","","","5","P c 21 n","P -2n -2ac","33","","","","- C30 H54 N6 O2 Ti -","- C30 H54 N6 O2 Ti -","- C120 H216 N24 O8 Ti4 -","4","1","","Lee, Alison V.; Schafer, Laurel L.","Group 4 Bis(pyrimidinoxide) Complexes. Investigations of Electronic Effects in Catalytic Hydroamination","Organometallics","2006","25","22","5249","","10.1021/om060587b","","","0.7108","MoKα","","0.0518","0.0388","","","0.0987","0.1057","","","","","","1.024","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074369","15.3557","0.0009","17.0718","0.001","27.053","0.0013","90","","90.235","0.002","90","","7091.9","0.7","293","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H96 N10 O5 Zr2 -","- C56 H96 N10 O5 Zr2 -","- C224 H384 N40 O20 Zr8 -","4","1","","Lee, Alison V.; Schafer, Laurel L.","Group 4 Bis(pyrimidinoxide) Complexes. Investigations of Electronic Effects in Catalytic Hydroamination","Organometallics","2006","25","22","5249","","10.1021/om060587b","","","0.71073","MoKα","","0.1038","0.0851","","","0.266","0.2791","","","","","","1.134","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074370","7.702","0.0014","12.171","0.002","14.506","0.003","103.233","0.003","101.973","0.003","104.272","0.003","1231.6","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H34 Ir N2 O3.5 -","- C27 H31 Ir N2 O3.5 -","- C54 H62 Ir2 N4 O7 -","2","1","","Ho, Joanne Hui Hui; Black, David St Clair; Messerle, Barbara Ann; Clegg, Jack Kay; Turner, Peter","Reactive Indolyl Complexes of Group 9 Metals","Organometallics","2006","25","24","5800","","10.1021/om060591n","","","0.71073","MoKα","","0.0182","0.0173","","","0.0455","0.0459","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074371","12.8861","0.0014","8.498","0.0009","19.738","0.002","90","","107.691","0.002","90","","2059.2","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O2 -","- C25 H23 N3 O2 -","- C100 H92 N12 O8 -","4","1","","Ho, Joanne Hui Hui; Black, David St Clair; Messerle, Barbara Ann; Clegg, Jack Kay; Turner, Peter","Reactive Indolyl Complexes of Group 9 Metals","Organometallics","2006","25","24","5800","","10.1021/om060591n","","","0.71073","MoKα","","0.0673","0.048","","","0.1253","0.1376","","","","","","1.047","","","","has coordinates,has disorder","178632","2020-10-21","18:00:00",""
"4074372","11.099","0.002","27.469","0.006","13.464","0.003","90","","111.39","0.03","90","","3822.1","1.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 Ir N2 O4 -","- C21 H19 Ir N2 O4 -","- C168 H152 Ir8 N16 O32 -","8","2","","Ho, Joanne Hui Hui; Black, David St Clair; Messerle, Barbara Ann; Clegg, Jack Kay; Turner, Peter","Reactive Indolyl Complexes of Group 9 Metals","Organometallics","2006","25","24","5800","","10.1021/om060591n","","","0.71073","MoKα","","0.0389","0.0263","","","0.0811","0.0936","","","","","","0.971","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074373","11.1206","0.0004","27.5135","0.001","13.4874","0.0005","90","","111.6","0.002","90","","3836.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N2 O4 Rh -","- C21 H19 N2 O4 Rh -","- C168 H152 N16 O32 Rh8 -","8","2","","Ho, Joanne Hui Hui; Black, David St Clair; Messerle, Barbara Ann; Clegg, Jack Kay; Turner, Peter","Reactive Indolyl Complexes of Group 9 Metals","Organometallics","2006","25","24","5800","","10.1021/om060591n","","","0.71073","MoKα","","0.0355","0.0276","","","0.0606","0.0627","","","","","","1.175","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074374","10.3295","0.0006","12.7493","0.0008","19.349","0.0012","90","","95.828","0.001","90","","2535","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 B N7 O4 P W -","- C22 H27 B N7 O4 P W -","- C88 H108 B4 N28 O16 P4 W4 -","4","1","","Ha, Yunkyoung; Dilsky, Stefan; Graham, Peter M.; Liu, Weijun; Reichart, Timothy M.; Sabat, Michal; Keane, Joseph M.; Harman, W. Dean","Development of Group 6 Dearomatization Agents","Organometallics","2006","25","21","5184","","10.1021/om060597c","","","0.71073","MoKα","","0.023","0.0187","","","0.0406","0.0412","","","","","","0.978","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074375","12.104","0.005","12.574","0.005","12.884","0.005","78.262","0.005","70.304","0.005","81.282","0.005","1800.2","1.2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H50 Cl2 N8 Ni O5 -","- C29 H50 Cl2 N8 Ni O5 -","- C58 H100 Cl4 N16 Ni2 O10 -","2","1","","Yang, Qing-Zheng; Kermagoret, Anthony; Agostinho, Magno; Siri, Olivier; Braunstein, Pierre","Nickel Complexes with Functional ZwitterionicN,O-Benzoquinonemonoimine-Type Ligands: Syntheses, Structures, and Catalytic Oligomerization of Ethylene","Organometallics","2006","25","23","5518","","10.1021/om060600s","","","0.71069","MoKα","","0.1245","0.0921","","","0.2347","0.2492","","","","","","0.823","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074376","7.571","0.001","9.9","0.001","23.534","0.004","90","","104.1","0.05","90","","1710.8","0.6","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 Cl2 N4 Ni O2 -","- C14 H24 Cl2 N4 Ni O2 -","- C56 H96 Cl8 N16 Ni4 O8 -","4","1","","Yang, Qing-Zheng; Kermagoret, Anthony; Agostinho, Magno; Siri, Olivier; Braunstein, Pierre","Nickel Complexes with Functional ZwitterionicN,O-Benzoquinonemonoimine-Type Ligands: Syntheses, Structures, and Catalytic Oligomerization of Ethylene","Organometallics","2006","25","23","5518","","10.1021/om060600s","","","0.7107","MoKα","","0.0441","0.033","","","0.0911","0.0959","","","","","","1.107","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074377","21.429","0.012","14.402","0.008","22.384","0.018","90","","118.519","0.008","90","","6070","7","180","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H6 B2 F20 O3 -","- C31 H6 B2 F20 O3 -","- C248 H48 B16 F160 O24 -","8","1","","Mitu, Simona; Baird, Michael C.","Carboxylic Acids as Lewis Bases: Structures and Properties of Strongly Acidic Carboxylic Acid Adducts of B(C6F5)3","Organometallics","2006","25","20","4888","","10.1021/om060601k","","","0.71073","MoKα","","0.1321","0.0551","","","0.0651","0.0725","","","","","","0.922","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074378","10.1619","0.0011","14.3044","0.0014","15.1871","0.0015","90","","91.076","0.002","90","","2207.2","0.4","180","2","180","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H8 B F15 O2 -","- C22 H8 B F15 O2 -","- C88 H32 B4 F60 O8 -","4","1","","Mitu, Simona; Baird, Michael C.","Carboxylic Acids as Lewis Bases: Structures and Properties of Strongly Acidic Carboxylic Acid Adducts of B(C6F5)3","Organometallics","2006","25","20","4888","","10.1021/om060601k","","","0.71073","MoKα","","0.0559","0.0329","","","0.0562","0.0596","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074379","16.3487","0.0009","7.8575","0.0004","17.2294","0.0009","90","","108.447","0.001","90","","2099.56","0.19","233","2","233","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cl4 N Ti -","- C18 H21 Cl4 N Ti -","- C72 H84 Cl16 N4 Ti4 -","4","1","","Joung, Ui Gab; Wu, Chun Ji; Lee, Sang Hoon; Lee, Choong Hoon; Lee, Eun Jung; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul","Phenylene-Bridged Cp/Carboxamide Ligands for Titanium Complexes of Various Binding Modes and Their Ethylene/1-Octene Copolymerization","Organometallics","2006","25","21","5122","","10.1021/om060604x","","","0.71073","MoKα","","0.1017","0.0463","","","0.1128","0.1514","","","","","","1.093","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074380","7.0671","0.0017","18.778","0.005","16.371","0.004","90","","95.393","0.005","90","","2162.9","0.9","233","2","233","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl4 N O0 Ti -","- C19 H23 Cl4 N Ti -","- C76 H92 Cl16 N4 Ti4 -","4","1","","Joung, Ui Gab; Wu, Chun Ji; Lee, Sang Hoon; Lee, Choong Hoon; Lee, Eun Jung; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul","Phenylene-Bridged Cp/Carboxamide Ligands for Titanium Complexes of Various Binding Modes and Their Ethylene/1-Octene Copolymerization","Organometallics","2006","25","21","5122","","10.1021/om060604x","","","0.71073","MoKα","","0.1951","0.0684","","","0.1461","0.1945","","","","","","0.885","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074381","10.4334","0.0005","12.0665","0.0006","12.184","0.0006","69.908","0.001","71.362","0.001","83.755","0.001","1365","0.12","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 Cl4 N Ti -","- C26 H25 Cl4 N Ti -","- C52 H50 Cl8 N2 Ti2 -","2","1","","Joung, Ui Gab; Wu, Chun Ji; Lee, Sang Hoon; Lee, Choong Hoon; Lee, Eun Jung; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul","Phenylene-Bridged Cp/Carboxamide Ligands for Titanium Complexes of Various Binding Modes and Their Ethylene/1-Octene Copolymerization","Organometallics","2006","25","21","5122","","10.1021/om060604x","","","0.71073","MoKα","","0.0585","0.04","","","0.1091","0.1227","","","","","","1.031","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074382","9.538","0.005","13.643","0.003","15.072","0.013","90","0.001","106.012","0.001","90","0.001","1885.2","1.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H19 Cl2 F2 N O Ti -","- C18 H19 Cl2 F2 N O Ti -","- C72 H76 Cl8 F8 N4 O4 Ti4 -","4","1","","Joung, Ui Gab; Wu, Chun Ji; Lee, Sang Hoon; Lee, Choong Hoon; Lee, Eun Jung; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul","Phenylene-Bridged Cp/Carboxamide Ligands for Titanium Complexes of Various Binding Modes and Their Ethylene/1-Octene Copolymerization","Organometallics","2006","25","21","5122","","10.1021/om060604x","","","0.71073","MoKα","","0.1074","0.0802","","","0.169","0.195","","","","","","1.08","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074383","9.086","0.0004","10.0478","0.0005","11.6051","0.0005","77.736","0.001","80.202","0.001","70.421","0.001","969.79","0.08","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H29 N O Ti -","- C21 H29 N O Ti -","- C42 H58 N2 O2 Ti2 -","2","1","","Joung, Ui Gab; Wu, Chun Ji; Lee, Sang Hoon; Lee, Choong Hoon; Lee, Eun Jung; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul","Phenylene-Bridged Cp/Carboxamide Ligands for Titanium Complexes of Various Binding Modes and Their Ethylene/1-Octene Copolymerization","Organometallics","2006","25","21","5122","","10.1021/om060604x","","","0.71073","MoKα","","0.0438","0.0367","","","0.1021","0.1083","","","","","","1.055","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074384","8.7346","0.0006","14.7363","0.001","12.2135","0.0008","90","","106.193","0.001","90","","1509.7","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H28 B P Si2 -","- C9 H28 B P Si2 -","- C36 H112 B4 P4 Si8 -","4","1","","Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.","Heavier Alkali Metal Complexes of a Silicon- and Phosphine-Borane-Stabilized Carbanion","Organometallics","2006","25","22","5326","","10.1021/om0606082","","","0.6709","synchrotron","","0.0476","0.0366","","","0.0996","0.1064","","","","","","1.038","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074385","9.645","0.002","13.1887","0.0013","22.357","0.003","90","","94.057","0.019","90","","2836.8","0.8","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20.5 H47 B Na O2 P Si2 -","- C17 H43 B Na O2 P Si2 -","- C68 H172 B4 Na4 O8 P4 Si8 -","4","1","","Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.","Heavier Alkali Metal Complexes of a Silicon- and Phosphine-Borane-Stabilized Carbanion","Organometallics","2006","25","22","5326","","10.1021/om0606082","","","0.71073","MoKα","","0.0741","0.056","","","0.1625","0.172","","","","","","1.06","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074386","15.881","0.004","13.618","0.004","16.5","0.004","90","0.005","112.415","0.005","90","0.005","3298.8","1.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H27 B K P Si2 -","- C9 H27 B K P Si2 -","- C72 H216 B8 K8 P8 Si16 -","8","2","","Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.","Heavier Alkali Metal Complexes of a Silicon- and Phosphine-Borane-Stabilized Carbanion","Organometallics","2006","25","22","5326","","10.1021/om0606082","","","0.71073","MoKα","","0.0759","0.0676","","","0.1256","0.1279","","","","","","1.425","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074387","16.216","0.002","13.691","0.003","16.924","0.003","90","","113.387","0.012","90","","3448.7","1.1","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H27 B P Rb Si2 -","- C9 H27 B P Rb Si2 -","- C72 H216 B8 P8 Rb8 Si16 -","8","2","","Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.","Heavier Alkali Metal Complexes of a Silicon- and Phosphine-Borane-Stabilized Carbanion","Organometallics","2006","25","22","5326","","10.1021/om0606082","","","0.71073","MoKα","","0.0949","0.0419","","","0.0642","0.0771","","","","","","1.046","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074388","9.0555","0.0012","11.9069","0.0016","14.6279","0.0019","102.165","0.002","94.135","0.002","105.163","0.002","1474.5","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H50 B Cs N3 P Si2 -","- C18 H50 B Cs N3 P Si2 -","- C36 H100 B2 Cs2 N6 P2 Si4 -","2","1","","Izod, Keith; Wills, Corinne; Clegg, William; Harrington, Ross W.","Heavier Alkali Metal Complexes of a Silicon- and Phosphine-Borane-Stabilized Carbanion","Organometallics","2006","25","22","5326","","10.1021/om0606082","","","0.71073","MoKα","","0.0564","0.049","","","0.0876","0.0894","","","","","","1.358","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074389","13.719","0.005","18.172","0.006","8.247","0.003","90","","90","","90","","2056","1.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H42 N2 O4 Sm2 -","- C36 H42 N2 O4 Sm2 -","- C72 H84 N4 O8 Sm4 -","2","0.5","","Pi, Chengfu; Zhang, Zhengxing; Liu, Ruiting; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Lanthanide Complexes Containing a New Methylene-Bridged Indenyl−Pyrrolyl Dianionic Ligand","Organometallics","2006","25","21","5165","","10.1021/om060610t","","","0.71073","MoKα","","0.0694","0.0514","","","0.1565","0.1733","","","","","","1.065","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074390","13.822","0.005","18.293","0.006","7.949","0.003","90","","90","","90","","2009.9","1.2","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C36 H42 N2 O4 Yb2 -","- C36 H42 N2 O4 Yb2 -","- C72 H84 N4 O8 Yb4 -","2","0.5","","Pi, Chengfu; Zhang, Zhengxing; Liu, Ruiting; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Lanthanide Complexes Containing a New Methylene-Bridged Indenyl−Pyrrolyl Dianionic Ligand","Organometallics","2006","25","21","5165","","10.1021/om060610t","","","0.71073","MoKα","","0.0727","0.0516","","","0.1347","0.1458","","","","","","1.066","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074391","11.699","0.004","18.752","0.006","12.686","0.004","90","","110.629","0.004","90","","2604.6","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C50 H60 Cl4 Er2 Li2 N2 O4 -","- C50 H60 Cl4 Er2 Li2 N2 O4 -","- C100 H120 Cl8 Er4 Li4 N4 O8 -","2","0.5","","Pi, Chengfu; Zhang, Zhengxing; Liu, Ruiting; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Lanthanide Complexes Containing a New Methylene-Bridged Indenyl−Pyrrolyl Dianionic Ligand","Organometallics","2006","25","21","5165","","10.1021/om060610t","","","0.71073","MoKα","","0.0621","0.0349","","","0.0809","0.0975","","","","","","1.137","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074392","10.2","0.007","10.495","0.007","11.609","0.008","108.676","0.011","93.357","0.011","90.25","0.011","1174.9","1.4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H54 Cl4 Li2 N2 O4 Sm2 -","- C44 H54 Cl4 Li2 N2 O4 Sm2 -","- C44 H54 Cl4 Li2 N2 O4 Sm2 -","1","0.5","","Pi, Chengfu; Zhang, Zhengxing; Liu, Ruiting; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Lanthanide Complexes Containing a New Methylene-Bridged Indenyl−Pyrrolyl Dianionic Ligand","Organometallics","2006","25","21","5165","","10.1021/om060610t","","","0.71073","MoKα","","0.1307","0.0906","","","0.1882","0.2056","","","","","","0.946","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074393","9.215","0.002","11.225","0.003","15.391","0.004","100.531","0.005","92.436","0.005","90.513","0.005","1563.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C68 H90 N6 Sm2 -","- C68 H90 N6 Sm2 -","- C68 H90 N6 Sm2 -","1","0.5","","Pi, Chengfu; Zhang, Zhengxing; Liu, Ruiting; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Lanthanide Complexes Containing a New Methylene-Bridged Indenyl−Pyrrolyl Dianionic Ligand","Organometallics","2006","25","21","5165","","10.1021/om060610t","","","0.71073","MoKα","","0.1257","0.0742","","","0.1427","0.1649","","","","","","1.025","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074394","11.566","0.004","13.722","0.005","15.778","0.005","94.33","0.004","105.602","0.004","106.489","0.004","2281.2","1.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H140 N8 O4 Si4 Sm2 -","- C88 H140 N8 O4 Si4 Sm2 -","- C88 H140 N8 O4 Si4 Sm2 -","1","0.5","","Pi, Chengfu; Zhang, Zhengxing; Liu, Ruiting; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Lanthanide Complexes Containing a New Methylene-Bridged Indenyl−Pyrrolyl Dianionic Ligand","Organometallics","2006","25","21","5165","","10.1021/om060610t","","","0.71073","MoKα","","0.0611","0.0437","","","0.1175","0.1348","","","","","","1.087","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074395","9.144","0.008","11.761","0.01","10.372","0.009","90","","103.654","0.013","90","","1083.9","1.6","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N -","- C14 H13 N -","- C56 H52 N4 -","4","1","","Pi, Chengfu; Zhang, Zhengxing; Liu, Ruiting; Weng, Linhong; Chen, Zhenxia; Zhou, Xigeng","Synthesis, Structural Characterization, and Reactivity of Lanthanide Complexes Containing a New Methylene-Bridged Indenyl−Pyrrolyl Dianionic Ligand","Organometallics","2006","25","21","5165","","10.1021/om060610t","","","0.71073","MoKα","","0.0751","0.0473","","","0.1202","0.1352","","","","","","1.029","","","","has coordinates","178632","2020-10-21","18:00:00",""
"4074396","16.6168","0.0003","9.066","0.0002","17.3742","0.0004","90","","114.96","0.01","90","","2372.9","0.2","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","Ti(NtBu)(Me3[9]aneN3)Me2 . C6H6","","- C21 H42 N4 Ti -","- C21 H42 N4 Ti -","- C84 H168 N16 Ti4 -","4","1","","Bolton, Paul D.; Adams, Nico; Clot, Eric; Cowley, Andrew R.; Wilson, Paul J.; Schröder, Martin; Mountford, Philip","Synthesis and Ethylene Polymerization Capability of Metallocene-like Imido Titanium Dialkyl Compounds and Their Reactions with AliBu3","Organometallics","2006","25","23","5549","","10.1021/om0606136","","","0.71073","MoKα","","","0.0506","","","","0.0617","","","","","","1.0439","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074397","35.1006","0.0008","8.354","0.0002","13.6754","0.0004","90","","95.7541","0.0008","90","","3989.84","0.18","150","","150","","","","","","","","?","4","C 1 2/c 1","-C 2yc","15","","Ti(NiPr)(Me3[9]aneN3)Me2 . 0.5 C6H6","","- C17 H37 N4 Ti -","- C17 H37 N4 Ti -","- C136 H296 N32 Ti8 -","8","1","","Bolton, Paul D.; Adams, Nico; Clot, Eric; Cowley, Andrew R.; Wilson, Paul J.; Schröder, Martin; Mountford, Philip","Synthesis and Ethylene Polymerization Capability of Metallocene-like Imido Titanium Dialkyl Compounds and Their Reactions with AliBu3","Organometallics","2006","25","23","5549","","10.1021/om0606136","","","0.71073","MoKα","","","0.0417","","","","0.0238","","","","","","1.0661","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4074398","11.632","0.0004","13.6112","0.0006","12.2864","0.0006","90","","103.72","0.0015","90","","1889.75","0.14","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","Ti(NPh)(Me3[9]aneN3)Me2","","- C17 H32 N4 Ti -","- C17 H32 N4 Ti -","- C68 H128 N16 Ti4 -","4","1","","Bolton, Paul D.; Adams, Nico; Clot, Eric; Cowley, Andrew R.; Wilson, Paul J.; Schröder, Martin; Mountford, Philip","Synthesis and Ethylene Polymerization Capability of Metallocene-like Imido Titanium Dialkyl Compounds and Their Reactions with AliBu3","Organometallics","2006","25","23","5549","","10.1021/om0606136","","","0.71073","MoKα","","0.0958","0.0449","","0.0902","0.0544","0.0544","","","","","","1.132","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074399","8.5573","0.0002","14.108","0.0002","18.5066","0.0002","90","","90","","90","","2234.23","0.07","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 21 21 21","P 2ac 2ab","19","","Ti(N-3,5-C6H3(CF3)2)(Me3[9]aneN3)Me2","","- C19 H30 F6 N4 Ti -","- C19 H30 F6 N4 Ti -","- C76 H120 F24 N16 Ti4 -","4","1","","Bolton, Paul D.; Adams, Nico; Clot, Eric; Cowley, Andrew R.; Wilson, Paul J.; Schröder, Martin; Mountford, Philip","Synthesis and Ethylene Polymerization Capability of Metallocene-like Imido Titanium Dialkyl Compounds and Their Reactions with AliBu3","Organometallics","2006","25","23","5549","","10.1021/om0606136","","","0.71073","MoKα","","0.0508","0.0414","","0.0574","0.0487","0.0487","","","","","","1.0932","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074400","9.1367","0.0003","16.2609","0.0005","16.4873","0.0005","90","","93.5206","0.0016","90","","2444.91","0.13","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","Ti(N-2,6-C6H3iPr2)(Me3[9]aneN3)Me2","","- C23 H44 N4 Ti -","- C23 H44 N4 Ti -","- C92 H176 N16 Ti4 -","4","1","","Bolton, Paul D.; Adams, Nico; Clot, Eric; Cowley, Andrew R.; Wilson, Paul J.; Schröder, Martin; Mountford, Philip","Synthesis and Ethylene Polymerization Capability of Metallocene-like Imido Titanium Dialkyl Compounds and Their Reactions with AliBu3","Organometallics","2006","25","23","5549","","10.1021/om0606136","","","0.71073","MoKα","","0.0845","0.0461","","0.0754","0.0532","0.0532","","","","","","1.1097","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074401","9.2576","0.0002","15.0649","0.0003","16.0266","0.0003","90","","98.1573","0.0011","90","","2212.53","0.08","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H40 N4 Ti -","- C21 H40 N4 Ti -","- C84 H160 N16 Ti4 -","4","1","","Bolton, Paul D.; Adams, Nico; Clot, Eric; Cowley, Andrew R.; Wilson, Paul J.; Schröder, Martin; Mountford, Philip","Synthesis and Ethylene Polymerization Capability of Metallocene-like Imido Titanium Dialkyl Compounds and Their Reactions with AliBu3","Organometallics","2006","25","23","5549","","10.1021/om0606136","","","0.71073","MoKα","","0.0599","0.0469","","0.0697","0.0603","0.0603","","","","","","1.0353","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074402","19.3811","0.0003","17.6247","0.0003","15.6532","0.0003","90","","107.627","0.001","90","","5095.86","0.16","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 21/c 1","-P 2ybc","14","","[Ti(NPh)(Me3[9]aneN3){MeC(NiPr)2}][BArF4] . CH2Cl2","","- C48 H45 B Cl2 F20 N6 Ti -","- C48 H45 B Cl2 F20 N6 Ti -","- C192 H180 B4 Cl8 F80 N24 Ti4 -","4","1","","Bolton, Paul D.; Adams, Nico; Clot, Eric; Cowley, Andrew R.; Wilson, Paul J.; Schröder, Martin; Mountford, Philip","Synthesis and Ethylene Polymerization Capability of Metallocene-like Imido Titanium Dialkyl Compounds and Their Reactions with AliBu3","Organometallics","2006","25","23","5549","","10.1021/om0606136","","","0.71073","MoKα","","0.0623","0.0332","","0.0587","0.0387","0.0387","","","","","","1.0929","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074403","10.3213","0.0018","15.712","0.003","28.338","0.005","90","","90","","90","","4595.5","1.4","218","2","218","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H59 P3 Pt -","- C40 H59 P3 Pt -","- C160 H236 P12 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0373","0.0326","","","0.0855","0.0865","","","","","","1.01","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074404","12.549","0.0009","23.1943","0.0016","18.1986","0.0012","90","","96.711","0.001","90","","5260.7","0.6","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H75 P3 Pt -","- C48 H74.5 P3 Pt -","- C192 H298 P12 Pt4 -","4","2","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0568","0.0472","","","0.1141","0.1191","","","","","","1.034","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074405","10.2606","0.001","18.4791","0.0019","41.283","0.004","90","","90","","90","","7827.5","1.3","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H54 I P3 Pt -","- C34 H54 I P3 Pt -","- C272 H432 I8 P24 Pt8 -","8","2","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0476","0.0386","","","0.0872","0.0899","","","","","","1.028","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074406","9.935","0.002","17.704","0.004","22.109","0.005","90","","90","","90","","3888.7","1.5","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C40 H54 Cl D6 P3 Pt -","- C40 H60 Cl P3 Pt -","- C160 H240 Cl4 P12 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0504","0.0423","","","0.0933","0.0964","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074407","9.9966","0.0015","19.761","0.002","24.836","0.004","90","","90","","90","","4906.2","1.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H80 P4 Pt -","- C50 H80 P4 Pt -","- C200 H320 P16 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0338","0.0284","","","0.0536","0.0548","","","","","","0.962","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074408","11.0214","0.0018","13.219","0.002","30.925","0.005","90","","90","","90","","4505.5","1.2","218","2","218","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C41 H60 B Cl2 F4 P3 Pt -","- C41 H60 B Cl2 F4 P3 Pt -","- C164 H240 B4 Cl8 F16 P12 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0322","0.029","","","0.0638","0.065","","","","","","1.001","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074409","8.326","0.004","20.847","0.01","23.51","0.11","90","","90","","90","","4081","19","208","2","208","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C34 H55 B Cl F4 P3 Pt -","- C34 H55 B Cl F4 P3 Pt -","- C136 H220 B4 Cl4 F16 P12 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0894","0.0641","","","0.1229","0.131","","","","","","1.057","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074410","10.049","0.002","40.208","0.008","10.13","0.002","90","","107.384","0.003","90","","3906.1","1.3","208","2","208","2","","","","","","","","6","P 1 21 1","P 2yb","4","glu224","glu224","","- C75 H116 Cl2 O2 P6 Pt2 -","- C75 H116 Cl2 O2 P6 Pt2 -","- C150 H232 Cl4 O4 P12 Pt4 -","2","1","","Scriban, Corina; Glueck, David S.; DiPasquale, Antonio G.; Rheingold, Arnold L.","Chiral Platinum Duphos Terminal Phosphido Complexes: Synthesis, Structure, Phosphido Transfer, and Ligand Behavior","Organometallics","2006","25","22","5435","","10.1021/om060614y","","","0.71073","MoKα","","0.0529","0.0491","","","0.1161","0.1176","","","","","","1.088","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074411","13.7555","0.0007","11.4276","0.0006","20.4538","0.0011","90","","98.648","0.001","90","","3178.6","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H43 Cl2 N3 Ru -","- C34 H43 Cl2 N3 Ru -","- C136 H172 Cl8 N12 Ru4 -","4","1","","Hejl, Andrew; Day, Michael W.; Grubbs, Robert H.","Latent Olefin Metathesis Catalysts Featuring Chelating Alkylidenes","Organometallics","2006","25","26","6149","","10.1021/om060620u","","","0.71073","MoKα","","0.0831","0.0593","","","0.1034","0.1064","","","","","","2.222","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4074412","13.5715","0.0004","11.653","0.0004","20.2953","0.0006","90","","100.807","0.001","90","","3152.75","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H41 Cl2 N3 Ru -","- C33 H41 Cl2 N3 Ru -","- C132 H164 Cl8 N12 Ru4 -","4","1","","Hejl, Andrew; Day, Michael W.; Grubbs, Robert H.","Latent Olefin Metathesis Catalysts Featuring Chelating Alkylidenes","Organometallics","2006","25","26","6149","","10.1021/om060620u","","","0.71073","MoKα","","0.0974","0.0514","","","0.0848","0.0898","","","","","","1.358","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4074413","14.9244","0.0009","16.4672","0.001","11.2788","0.0007","90","","90","","90","","2771.9","0.3","100","2","100","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C28 H39 Cl2 N3 Ru -","- C28 H39 Cl2 N3 Ru -","- C112 H156 Cl8 N12 Ru4 -","4","0.5","","Hejl, Andrew; Day, Michael W.; Grubbs, Robert H.","Latent Olefin Metathesis Catalysts Featuring Chelating Alkylidenes","Organometallics","2006","25","26","6149","","10.1021/om060620u","","","0.71073","MoKα","","0.1089","0.0575","","","0.0784","0.0843","","","","","","1.576","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4074414","11.1365","0.0003","17.4341","0.0004","34.7895","0.0009","90","","93.707","0.001","90","","6740.4","0.3","100","2","100","2","","","","","","","","7","P 1 c 1","P -2yc","7","","","","- C32 H47 Cl2 N3 O0.5 Ru S -","- C31.778 H46.556 Cl2 N3 O0.4445 Ru S -","- C254.224 H372.448 Cl16 N24 O3.556 Ru8 S8 -","8","4","","Hejl, Andrew; Day, Michael W.; Grubbs, Robert H.","Latent Olefin Metathesis Catalysts Featuring Chelating Alkylidenes","Organometallics","2006","25","26","6149","","10.1021/om060620u","","","0.71073","MoKα","","0.09","0.058","","","0.0946","0.1005","","","","","","1.302","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4074415","24.856","0.0005","21.4614","0.0005","8.2591","0.0002","90","","104.156","0.0012","90","","4271.98","0.17","110","2","110","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C36 H20 F6 N8 P Pd -","- C36 H20 F6 N8 P Pd -","- C144 H80 F24 N32 P4 Pd4 -","4","0.5","","Bergman, Sheba D.; Goldberg, Israel; Carfagna, Carla; Mosca, Luca; Kol, Moshe; Milani, Barbara","Palladium Complexes Containing Large Fused Aromatic N−N Ligands as Efficient Catalysts for the CO/Styrene Copolymerization","Organometallics","2006","25","26","6014","","10.1021/om060624z","","","0.71073","MoKα","","0.0603","0.0511","","","0.1378","0.1432","","","","","","1.087","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074416","9.198","0.001","12.979","0.001","18.791","0.001","90","","103.126","0.001","90","","2184.7","0.3","150","0.1","150","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 N P -","- C30 H22 N P -","- C120 H88 N4 P4 -","4","1","","Mora, Guilhem; van Zutphen, Steven; Thoumazet, Claire; Le Goff, Xavier F.; Ricard, Louis; Grutzmacher, Hansjorg; Le Floch, Pascal","A New Bidentate Aminophosphole−Olefin Ligand for the Rhodium-Catalyzed Hydroformylation of Mono- and Disubstituted Olefins","Organometallics","2006","25","23","5528","","10.1021/om060625r","","","0.71069","MoKα","","0.0601","0.0422","","","0.1145","0.1241","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074417","7.822","0.001","27.135","0.001","25.5931","0.001","90","","103.481","0.002","90","","5282.5","0.7","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C61 H46 Cl4 N2 P2 Rh2 -","- C60 H44 Cl2 N2 P2 Rh2 -","- C240 H176 Cl8 N8 P8 Rh8 -","4","1","","Mora, Guilhem; van Zutphen, Steven; Thoumazet, Claire; Le Goff, Xavier F.; Ricard, Louis; Grutzmacher, Hansjorg; Le Floch, Pascal","A New Bidentate Aminophosphole−Olefin Ligand for the Rhodium-Catalyzed Hydroformylation of Mono- and Disubstituted Olefins","Organometallics","2006","25","23","5528","","10.1021/om060625r","","","0.71069","MoKα","","0.0636","0.0413","","","0.115","0.1219","","","","","","1.069","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074418","13.045","0.001","18.666","0.001","15.627","0.001","90","","109.751","0.001","90","","3581.3","0.4","150","0.1","150","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C39 H36 B Cl F4 N P Rh -","- C38 H34 B F4 N P Rh -","- C152 H136 B4 F16 N4 P4 Rh4 -","4","1","","Mora, Guilhem; van Zutphen, Steven; Thoumazet, Claire; Le Goff, Xavier F.; Ricard, Louis; Grutzmacher, Hansjorg; Le Floch, Pascal","A New Bidentate Aminophosphole−Olefin Ligand for the Rhodium-Catalyzed Hydroformylation of Mono- and Disubstituted Olefins","Organometallics","2006","25","23","5528","","10.1021/om060625r","","","0.71069","MoKα","","0.0615","0.0463","","","0.1436","0.1503","","","","","","1.054","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074419","10.251","0.002","11.918","0.002","16.501","0.003","90","","117.47","0.03","90","","1788.7","0.7","240","1","240","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","8a","Bis-(N,N-dimethyl-N-trifluoroacetimidato-ammoniomethyl-C-O)dichlorosilicon (IV)","","- C10 H16 Cl2 F6 N4 O2 Si -","- C10 H16 Cl2 F6 N4 O2 Si -","- C40 H64 Cl8 F24 N16 O8 Si4 -","4","1","","Gostevskii, Boris; Zamstein, Noa; Korlyukov, Alexander A.; Baukov, Yuri I.; Botoshansky, Mark; Kaftory, Menahem; Kocher, Nikolaus; Stalke, Dietmar; Kalikhman, Inna; Kost, Daniel","Donor-Stabilized Silyl Cations. 11. Bis-Zwitterionic Penta- and Hexacoordinate Silicon Dichelate Complexes Derived from (ClCH2)2SiCl2through Double Internal Displacement of Chloride1","Organometallics","2006","25","22","5416","","10.1021/om060629w","","","0.71073","MoKα","","0.0743","0.0463","","","0.1093","0.1195","","","","","","1.048","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074420","10.0587","0.0016","10.3751","0.0018","18.348","0.003","90","","101.543","0.005","90","","1876.1","0.5","120","2","120","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","9a","Bis-(N,N-dimethyl-N-trifluoroacetimidato-ammoniomethyl-C-O) chlorosiliconium iodide","","- C10 H16 Cl F6 I N4 O2 Si -","- C10 H16 Cl F6 I N4 O2 Si -","- C40 H64 Cl4 F24 I4 N16 O8 Si4 -","4","0.5","","Gostevskii, Boris; Zamstein, Noa; Korlyukov, Alexander A.; Baukov, Yuri I.; Botoshansky, Mark; Kaftory, Menahem; Kocher, Nikolaus; Stalke, Dietmar; Kalikhman, Inna; Kost, Daniel","Donor-Stabilized Silyl Cations. 11. Bis-Zwitterionic Penta- and Hexacoordinate Silicon Dichelate Complexes Derived from (ClCH2)2SiCl2through Double Internal Displacement of Chloride1","Organometallics","2006","25","22","5416","","10.1021/om060629w","","","0.71073","MoKα","","0.0252","0.0234","","","0.0596","0.0604","","","","","","1.056","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074421","8.994","0.002","21.354","0.004","11.089","0.004","90","","90","","90","","2129.7","1","240","1","240","1","","","","","","","","6","A e a 2","A 2 -2ab","41","9b","Bis-(N,N-dimethyl-N-pivaloimidato-ammoniomethyl-C-O) chlorosiliconium chloride","","- C16 H34 Cl2 N4 O2 Si -","- C16 H34 Cl2 N4 O2 Si -","- C64 H136 Cl8 N16 O8 Si4 -","4","0.5","","Gostevskii, Boris; Zamstein, Noa; Korlyukov, Alexander A.; Baukov, Yuri I.; Botoshansky, Mark; Kaftory, Menahem; Kocher, Nikolaus; Stalke, Dietmar; Kalikhman, Inna; Kost, Daniel","Donor-Stabilized Silyl Cations. 11. Bis-Zwitterionic Penta- and Hexacoordinate Silicon Dichelate Complexes Derived from (ClCH2)2SiCl2through Double Internal Displacement of Chloride1","Organometallics","2006","25","22","5416","","10.1021/om060629w","","","0.71073","MoKα","","0.038","0.0311","","","0.0897","0.0964","","","","","","0.782","","","","has coordinates","270074","2021-10-24","17:53:43",""
"4074422","10.4375","0.0006","18.3791","0.001","20.7842","0.0011","90","","95.229","0.001","90","","3970.5","0.4","100","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","11a","Di(Bis-(N,N-dimethyl-N-trifluoroacetimidato-ammoniomethyl-C-O)disiloxane-dication dichloride","","- C24 H38 Cl2 F12 N10 O5 Si2 -","- C24 H38 Cl2 F12 N10 O5 Si2 -","- C96 H152 Cl8 F48 N40 O20 Si8 -","4","1","","Gostevskii, Boris; Zamstein, Noa; Korlyukov, Alexander A.; Baukov, Yuri I.; Botoshansky, Mark; Kaftory, Menahem; Kocher, Nikolaus; Stalke, Dietmar; Kalikhman, Inna; Kost, Daniel","Donor-Stabilized Silyl Cations. 11. Bis-Zwitterionic Penta- and Hexacoordinate Silicon Dichelate Complexes Derived from (ClCH2)2SiCl2through Double Internal Displacement of Chloride1","Organometallics","2006","25","22","5416","","10.1021/om060629w","","","0.71073","MoKα","","0.0344","0.0317","","","0.0841","0.0861","","","","","","1.056","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4074423","10.729","0.0011","9.608","0.001","11.287","0.0011","90","","92.169","0.002","90","","1162.7","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","CS592","","","- C26 H29 O3 P -","- C26 H29 O3 P -","- C52 H58 O6 P2 -","2","1","","Scriban, Corina; Glueck, David S.; Zakharov, Lev N.; Kassel, W. Scott; DiPasquale, Antonio G.; Golen, James A.; Rheingold, Arnold L.","P−C and C−C Bond Formation by Michael Addition in Platinum-Catalyzed Hydrophosphination and in the Stoichiometric Reactions of Platinum Phosphido Complexes with Activated Alkenes","Organometallics","2006","25","24","5757","","10.1021/om060631n","","","0.71073","MoKα","","0.0438","0.0414","","","0.1003","0.1019","","","","","","1.045","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4074424","9.7369","0.0014","19.017","0.003","15.778","0.002","90","","91.064","0.003","90","","2921.1","0.7","213","2","213","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H41 P3 Pt -","- C31 H41 P3 Pt -","- C124 H164 P12 Pt4 -","4","2","","Scriban, Corina; Glueck, David S.; Zakharov, Lev N.; Kassel, W. Scott; DiPasquale, Antonio G.; Golen, James A.; Rheingold, Arnold L.","P−C and C−C Bond Formation by Michael Addition in Platinum-Catalyzed Hydrophosphination and in the Stoichiometric Reactions of Platinum Phosphido Complexes with Activated Alkenes","Organometallics","2006","25","24","5757","","10.1021/om060631n","","","0.71073","MoKα","","0.0302","0.0287","","","0.064","0.0646","","","","","","0.961","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074425","17.3082","0.001","10.2818","0.0006","19.0494","0.0011","90","","90","","90","","3390","0.3","213","2","213","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C34 H39 Cl3 O2 P2 Pt -","- C34 H39 Cl3 O2 P2 Pt -","- C136 H156 Cl12 O8 P8 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; Zakharov, Lev N.; Kassel, W. Scott; DiPasquale, Antonio G.; Golen, James A.; Rheingold, Arnold L.","P−C and C−C Bond Formation by Michael Addition in Platinum-Catalyzed Hydrophosphination and in the Stoichiometric Reactions of Platinum Phosphido Complexes with Activated Alkenes","Organometallics","2006","25","24","5757","","10.1021/om060631n","","","0.71073","MoKα","","0.0494","0.0422","","","0.1037","0.1075","","","","","","1.007","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074426","10.278","0.0004","17.6054","0.0007","20","0.0008","90","","99.755","0.001","90","","3566.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H48 O3 P2 Pt -","- C38 H48 O3 P2 Pt -","- C152 H192 O12 P8 Pt4 -","4","1","","Scriban, Corina; Glueck, David S.; Zakharov, Lev N.; Kassel, W. Scott; DiPasquale, Antonio G.; Golen, James A.; Rheingold, Arnold L.","P−C and C−C Bond Formation by Michael Addition in Platinum-Catalyzed Hydrophosphination and in the Stoichiometric Reactions of Platinum Phosphido Complexes with Activated Alkenes","Organometallics","2006","25","24","5757","","10.1021/om060631n","","","0.71073","MoKα","","0.0322","0.0279","","","0.065","0.067","","","","","","1.038","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074427","13.0614","0.0012","16.8404","0.0015","17.8216","0.0016","105.327","0.001","110.081","0.001","91.999","0.001","3516.4","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C83.5 H85 O P5 Pt2 -","- C73 H72 O P5 Pt2 -","- C146 H144 O2 P10 Pt4 -","2","1","","Scriban, Corina; Glueck, David S.; Zakharov, Lev N.; Kassel, W. Scott; DiPasquale, Antonio G.; Golen, James A.; Rheingold, Arnold L.","P−C and C−C Bond Formation by Michael Addition in Platinum-Catalyzed Hydrophosphination and in the Stoichiometric Reactions of Platinum Phosphido Complexes with Activated Alkenes","Organometallics","2006","25","24","5757","","10.1021/om060631n","","","0.71073","MoKα","","0.0474","0.0387","","","0.1057","0.1104","","","","","","1.045","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074428","6.0478","0.0003","17.7771","0.0008","15.6673","0.0007","90","","92.531","0.002","90","","1682.78","0.14","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Cl N4 P Pd -","- C15 H24 Cl N4 P Pd -","- C60 H96 Cl4 N16 P4 Pd4 -","4","1","","Ruiz, José; Cutillas, Natalia; López, Francisco; López, Gregorio; Bautista, Delia","A Copper- and Amine-Free Sonogashira Reaction of Aryl Halides Catalyzed by 1,3,5-Triaza-7-phosphaadamantane Palladium Systems","Organometallics","2006","25","24","5768","","10.1021/om060636k","","","0.71073","MoKα","","0.0187","0.0181","","","0.0461","0.0465","","","","","","1.074","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074429","6.5664","0.0007","18.2658","0.0019","18.5978","0.0019","90.35","0.012","96.867","0.012","92.036","0.012","2213.1","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C18.38 H20.75 Cl0.75 Fe I N3 O -","- C18.375 H20.75 Cl0.75 Fe I N3 O -","- C73.5 H83 Cl3 Fe4 I4 N12 O4 -","4","2","","Mercs, Laszlo; Labat, Gaël; Neels, Antonia; Ehlers, Andreas; Albrecht, Martin","Piano-Stool Iron(II) Complexes as Probes for the Bonding ofN-Heterocyclic Carbenes: Indications for π-Acceptor Ability","Organometallics","2006","25","23","5648","","10.1021/om060637c","","","0.71073","MoKα","","0.1131","0.0572","","","0.146","0.1638","","","","","","0.84","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074430","10.7751","0.0009","23.908","0.003","13.0755","0.0011","90","","93.87","0.006","90","","3360.7","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 Cl3 Fe I N4 O -","- C32 H34 Cl3 Fe I N4 O -","- C128 H136 Cl12 Fe4 I4 N16 O4 -","4","1","","Mercs, Laszlo; Labat, Gaël; Neels, Antonia; Ehlers, Andreas; Albrecht, Martin","Piano-Stool Iron(II) Complexes as Probes for the Bonding ofN-Heterocyclic Carbenes: Indications for π-Acceptor Ability","Organometallics","2006","25","23","5648","","10.1021/om060637c","","","0.71073","MoKα","","0.0858","0.0498","","","0.1087","0.1203","","","","","","0.907","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074431","14.607","0.003","17.019","0.005","13.356","0.003","90","","90","","90","","3320.3","1.4","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C16 H16 Fe I N3 O -","- C16 H16 Fe I N3 O -","- C128 H128 Fe8 I8 N24 O8 -","8","2","","Mercs, Laszlo; Labat, Gaël; Neels, Antonia; Ehlers, Andreas; Albrecht, Martin","Piano-Stool Iron(II) Complexes as Probes for the Bonding ofN-Heterocyclic Carbenes: Indications for π-Acceptor Ability","Organometallics","2006","25","23","5648","","10.1021/om060637c","","","0.71073","MoKα","","0.0633","0.0455","","","0.1026","0.1073","","","","","","0.927","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074432","9.0722","0.0011","10.1558","0.0011","10.2117","0.001","89.614","0.013","79.026","0.013","76.716","0.013","898.27","0.18","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H21 B F4 Fe N2 O2 -","- C16 H21 B F4 Fe N2 O2 -","- C32 H42 B2 F8 Fe2 N4 O4 -","2","1","","Mercs, Laszlo; Labat, Gaël; Neels, Antonia; Ehlers, Andreas; Albrecht, Martin","Piano-Stool Iron(II) Complexes as Probes for the Bonding ofN-Heterocyclic Carbenes: Indications for π-Acceptor Ability","Organometallics","2006","25","23","5648","","10.1021/om060637c","","","0.71073","MoKα","","0.0691","0.0372","","","0.0791","0.088","","","","","","0.86","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074433","7.3425","0.0012","12.434","0.003","13.988","0.002","67.109","0.016","81.442","0.013","72.819","0.015","1123.2","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H24 Fe I N3 O -","- C24 H24 Fe I N3 O -","- C48 H48 Fe2 I2 N6 O2 -","2","1","","Mercs, Laszlo; Labat, Gaël; Neels, Antonia; Ehlers, Andreas; Albrecht, Martin","Piano-Stool Iron(II) Complexes as Probes for the Bonding ofN-Heterocyclic Carbenes: Indications for π-Acceptor Ability","Organometallics","2006","25","23","5648","","10.1021/om060637c","","","0.71073","MoKα","","0.044","0.0308","","","0.0652","0.069","","","","","","1.028","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074434","10.127","0.0001","15.715","0.0003","15.576","0.0004","90","","98.769","0.001","90","","2449.88","0.08","200","2","200","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C14 H23 F3 Mo N4 O8 P2 S -","- C14 H23 F3 Mo N4 O8 P2 S -","- C56 H92 F12 Mo4 N16 O32 P8 S4 -","4","1","","Nakazawa, Hiroshi; Miyoshi, Yasutaka; Katayama, Takafumi; Mizuta, Tsutomu; Miyoshi, Katsuhiko; Tsuchida, Noriko; Ono, Ayako; Takano, Keiko","Syntheses, Structures, and DFT Calculations of Phosphenium Phosphite Complexes of Molybdenum: Preference of Nonbridging Form to Bridging Form of a Donor Group","Organometallics","2006","25","25","5913","","10.1021/om060639x","","","0.71069","MoKα","","0.0347","0.0337","","","0.0877","0.0885","","","","","","1.058","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074435","16.703","0.003","17.963","0.003","9.744","0.002","90","","98.694","0.016","90","","2890","0.9","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H39 Mo N6 O6 P3 -","- C18 H39 Mo N6 O6 P3 -","- C72 H156 Mo4 N24 O24 P12 -","4","1","","Nakazawa, Hiroshi; Miyoshi, Yasutaka; Katayama, Takafumi; Mizuta, Tsutomu; Miyoshi, Katsuhiko; Tsuchida, Noriko; Ono, Ayako; Takano, Keiko","Syntheses, Structures, and DFT Calculations of Phosphenium Phosphite Complexes of Molybdenum: Preference of Nonbridging Form to Bridging Form of a Donor Group","Organometallics","2006","25","25","5913","","10.1021/om060639x","","","0.71069","MoKα","","0.041","0.0293","","","0.0717","0.0746","","","","","","1.025","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074436","8.807","0.0001","21.75","0.0003","17.96","0.0003","90","","99.619","0.001","90","","3391.91","0.08","200","2","200","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C21 H43 F3 Mo N6 O8 P3 S -","- C21 H43 F3 Mo N6 O8 P3 S -","- C84 H172 F12 Mo4 N24 O32 P12 S4 -","4","1","","Nakazawa, Hiroshi; Miyoshi, Yasutaka; Katayama, Takafumi; Mizuta, Tsutomu; Miyoshi, Katsuhiko; Tsuchida, Noriko; Ono, Ayako; Takano, Keiko","Syntheses, Structures, and DFT Calculations of Phosphenium Phosphite Complexes of Molybdenum: Preference of Nonbridging Form to Bridging Form of a Donor Group","Organometallics","2006","25","25","5913","","10.1021/om060639x","","","0.71069","MoKα","","0.065","0.0584","","","0.1721","0.179","","","","","","1.003","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074437","8.503","0.0002","8.575","0.0002","14.584","0.0003","100.182","0.001","93.405","0.001","110.024","0.002","975.05","0.04","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H28 Mo N4 O2 P2 -","- C15 H28 Mo N4 O2 P2 -","- C30 H56 Mo2 N8 O4 P4 -","2","1","","Nakazawa, Hiroshi; Miyoshi, Yasutaka; Katayama, Takafumi; Mizuta, Tsutomu; Miyoshi, Katsuhiko; Tsuchida, Noriko; Ono, Ayako; Takano, Keiko","Syntheses, Structures, and DFT Calculations of Phosphenium Phosphite Complexes of Molybdenum: Preference of Nonbridging Form to Bridging Form of a Donor Group","Organometallics","2006","25","25","5913","","10.1021/om060639x","","","0.71069","MoKα","","0.0225","0.0224","","","0.0612","0.0613","","","","","","1.046","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074438","17.5655","0.0006","15.4579","0.0005","8.8755","0.0002","90","","90","","90","","2409.93","0.13","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C22 H33 I2 N U -","- C22 H33 I2 N U -","- C88 H132 I8 N4 U4 -","4","0.5","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.048","0.0472","","","0.1229","0.1233","","","","","","1.308","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074439","17.0969","0.0006","12.9933","0.0009","15.0916","0.0007","90","","90","","90","","3352.5","0.3","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C32 H47 I2 N U -","- C32 H47 I2 N U -","- C128 H188 I8 N4 U4 -","4","0.5","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.0516","0.0482","","","0.1279","0.1299","","","","","","1.089","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074440","17.8654","0.0008","10.5923","0.0005","15.9315","0.0004","90","","104.406","0.003","90","","2920","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C24 H33 F6 N O6 S2 U -","- C24 H33 F6 N O6 S2 U -","- C96 H132 F24 N4 O24 S8 U4 -","4","1","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.0376","0.0258","","","0.0582","0.0625","","","","","","1.001","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074441","16.0984","0.001","11.2243","0.0007","21.151","0.0009","90","","105.096","0.004","90","","3690","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 I2 N6 U -","- C32 H48 I2 N6 U -","- C128 H192 I8 N24 U4 -","4","1","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.0223","0.0187","","","0.0446","0.0455","","","","","","1.039","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074442","22.8466","0.001","20.4868","0.0009","9.2103","0.0003","90","","90","","90","","4310.9","0.3","100","2","100","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C34 H48 F6 N6 O6 S2 U -","- C34 H48 F6 N6 O6 S2 U -","- C136 H192 F24 N24 O24 S8 U4 -","4","0.5","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.0608","0.055","","","0.1371","0.1393","","","","","","1.181","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074443","29.475","0.003","9.9062","0.0007","30.888","0.004","90","","90","","90","","9018.8","1.6","100","2","100","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C70 H108 F18 Na2 O24 S6 U2 -","- C70 H108 F18 Na2 O24 S6 U2 -","- C280 H432 F72 Na8 O96 S24 U8 -","4","0.5","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.1423","0.0601","","","0.1063","0.1228","","","","","","0.979","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074444","12.9263","0.0007","14.6453","0.0008","13.9515","0.0005","90","","90","","90","","2641.2","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H36 I N2 U -","- C24 H36 I N2 U -","- C96 H144 I4 N8 U4 -","4","0.5","","Maynadié, Jérôme; Berthet, Jean-Claude; Thuéry, Pierre; Ephritikhine, Michel","From Bent to Linear Uranium Metallocenes: Influence of Counterion, Solvent, and Metal Ion Oxidation State","Organometallics","2006","25","23","5603","5611","10.1021/om060642g","","","0.71073","MoKα","","0.0545","0.0367","","","0.1024","0.1164","","","","","","0.973","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074445","8.6221","0.0017","10.595","0.002","10.614","0.002","108.88","0.03","111.74","0.03","92.98","0.03","835.7","0.4","203","2","203","2","","","","","","","","4","P -1","-P 1","2","[Cp'2Al-mu-Cl]2","","","- C36 H52 Al2 Cl2 -","- C36 H52 Al2 Cl2 -","- C36 H52 Al2 Cl2 -","1","0.5","","Lee, Suh-Jane; Shapiro, Pamela J.; Twamley, Brendan","Synthesis and Characterization of [(C5Me4H)2Al]+, an Initiator for the Polymerization of Isobutene. X-ray Crystal Structures of [(C5Me4H)2Al(μ-Cl)]2and [(C5Me4H)2Al][B(C6F5)4]","Organometallics","2006","25","23","5582","","10.1021/om0606439","","","0.71073","MoKα","","0.0514","0.0385","","","0.0995","0.1076","","","","","","1.054","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074446","22.644","0.005","23.988","0.005","17.049","0.003","90","","107.02","0.03","90","","8855","3","84","2","84","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[Cp'2Al][BCF] + bromobenzene","","","- C48 H31 Al B Br F20 -","- C48 H31 Al B Br F20 -","- C384 H248 Al8 B8 Br8 F160 -","8","1","","Lee, Suh-Jane; Shapiro, Pamela J.; Twamley, Brendan","Synthesis and Characterization of [(C5Me4H)2Al]+, an Initiator for the Polymerization of Isobutene. X-ray Crystal Structures of [(C5Me4H)2Al(μ-Cl)]2and [(C5Me4H)2Al][B(C6F5)4]","Organometallics","2006","25","23","5582","","10.1021/om0606439","","","0.71073","MoKα","","0.1386","0.0687","","","0.1454","0.1774","","","","","","1.018","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074447","11.2586","0.0008","15.0054","0.001","21.336","0.002","81.162","0.001","77.028","0.001","88.442","0.001","3470.7","0.5","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H37 B N6 O3 Os P2 Sn -","- C30 H37 B N6 O3 Os P2 Sn -","- C120 H148 B4 N24 O12 Os4 P8 Sn4 -","4","2","","Albertin, Gabriele; Antoniutti, Stefano; Bacchi, Alessia; Bortoluzzi, Marco; Pelizzi, Giancarlo; Zanardo, Gianluigi","Tin Trihydride as a Ligand in Osmium Complexes","Organometallics","2006","25","18","4235","","10.1021/om0606441","","","0.71073","MoKα","","0.0622","0.0377","","","0.092","0.104","","","","","","0.986","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074448","18.0221","0.0005","10.6425","0.0002","17.2769","0.0004","90","","107.205","0.001","90","","3165.43","0.13","100","","100","","","","","","","","pentane","5","P 1 21/c 1","-P 2ybc","14","","(acetylacetonato)-(N-2,4-bis(2,6-isopropylphenylimino)- pentan-3-yl)palladium(ii)","","- C34 H48 N2 O2 Pd -","- C34 H47.262 N2 O2 Pd -","- C136 H189.048 N8 O8 Pd4 -","4","1","","Tian, Xin; Goddard, Richard; Pörschke, Klaus-Richard","(β-Diketiminato)palladium Complexes","Organometallics","2006","25","25","5854","","10.1021/om0606486","","","0.71073","MoKα","","0.0649","0.0394","","","0.0799","0.088","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074449","8.1121","0.0002","9.6711","0.0003","16.6998","0.0004","78.659","0.001","82.887","0.001","65.204","0.001","1164.88","0.05","100","","100","","","","","","","","pentane at -40 degrees","4","P -1","-P 1","2","","bis[2-(isopropylamino)-4-(isopropylimino)-pent-2-ene-N,N'] palladium(ii)","","- C22 H42 N4 Pd -","- C22 H42 N4 Pd -","- C44 H84 N8 Pd2 -","2","1","","Tian, Xin; Goddard, Richard; Pörschke, Klaus-Richard","(β-Diketiminato)palladium Complexes","Organometallics","2006","25","25","5854","","10.1021/om0606486","","","0.71073","MoKα","","0.03","0.0285","","","0.0759","0.0769","","","","","","1.115","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074450","35.0185","0.0005","10.6251","0.0001","20.5768","0.0003","90","","121.351","0.001","90","","6538.29","0.16","100","","100","","","","","","","","pentane","5","C 1 2/c 1","-C 2yc","15","","(2-(2,6-di-isopropylphenylimino)-4- (2,6-di-isopropylphenylimino)pent-2-ene-N,N')-acetylacetonate- palladium(ii)","","- C34 H48 N2 O2 Pd -","- C34 H48 N2 O2 Pd -","- C272 H384 N16 O16 Pd8 -","8","1","","Tian, Xin; Goddard, Richard; Pörschke, Klaus-Richard","(β-Diketiminato)palladium Complexes","Organometallics","2006","25","25","5854","","10.1021/om0606486","","","0.71073","MoKα","","0.0379","0.0302","","","0.0714","0.0748","","","","","","1.08","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074451","9.0662","0.0003","17.4148","0.0007","9.6064","0.0004","90","","101.143","0.002","90","","1488.12","0.1","100","","100","","","","","","","","diethylether","4","P 1 21/n 1","-P 2yn","14","","[2-(isopropylamino)-4-(isopropylimino)-pent-2-ene-N,N']-η^3^-allyl- palladium(ii)","","- C14 H26 N2 Pd -","- C14 H26 N2 Pd -","- C56 H104 N8 Pd4 -","4","1","","Tian, Xin; Goddard, Richard; Pörschke, Klaus-Richard","(β-Diketiminato)palladium Complexes","Organometallics","2006","25","25","5854","","10.1021/om0606486","","","0.71073","MoKα","","0.0876","0.0691","","","0.2031","0.2454","","","","","","1.067","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074452","9.8459","0.0003","18.3293","0.0006","11.4953","0.0003","90","","90.785","0.002","90","","2074.34","0.11","173.2","","173.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C46 H45 F6 N3 Rh Sb -","- C46 H45 F6 N3 Rh Sb -","- C92 H90 F12 N6 Rh2 Sb2 -","2","1","","Faller, J. W.; Fontaine, Philip P.","Stereodynamics and Asymmetric Hydrosilylation with Chiral Rhodium Complexes Containing a Monodentate N-Heterocyclic Carbene","Organometallics","2006","25","25","5887","","10.1021/om060650x","","","0.7107","MoKα","","0.0467","0.037","","0.039","","0.038","","","1.835","","","1.91","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074453","14.2381","0.0005","22.7148","0.0007","14.3902","0.0004","90","","114.763","0.002","90","","4226.1","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H44 N8 O12 Pd2 S2 -","- C36 H44 N8 O12 Pd2 S2 -","- C144 H176 N32 O48 Pd8 S8 -","4","1","","Slootweg, J. Chris; Chen, Peter","Cationic Palladium Bis-carbene Carboxylate Complexes","Organometallics","2006","25","25","5863","","10.1021/om0606542","","","0.7107","MoKα","","0.0799","0.0486","","","0.111","0.1358","","","","","","1.049","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074454","21.062","0.0004","21.4351","0.0006","21.2069","0.0006","90","","110.104","0.001","90","","8990.8","0.4","173","2","173","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C60 H40 B Cl4 F36 N8 Na O11 Pd2 -","- C60 H40 B Cl4 F36 N8 Na O11 Pd2 -","- C240 H160 B4 Cl16 F144 N32 Na4 O44 Pd8 -","4","0.5","","Slootweg, J. Chris; Chen, Peter","Cationic Palladium Bis-carbene Carboxylate Complexes","Organometallics","2006","25","25","5863","","10.1021/om0606542","","","0.7107","MoKα","","0.0876","0.0637","","","0.1652","0.1868","","","","","","0.965","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074455","7.7108","0.0005","18.4718","0.0012","14.8523","0.001","90","","93.343","0.001","90","","2111.8","0.2","128","2","128","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 Cl3 Ir N O5 -","- C16 H21 Cl3 Ir N O5 -","- C64 H84 Cl12 Ir4 N4 O20 -","4","1","","Tenn, William J.; Young, Kenneth J. H.; Oxgaard, Jonas; Nielsen, Robert J.; Goddard, William A.; Periana, Roy A.","Heterolytic CH Activation and Catalysis by an O-Donor Iridium−Hydroxo Complex","Organometallics","2006","25","21","5173","","10.1021/om060657e","","","0.71073","MoKα","","0.0242","0.0207","","","0.0502","0.0512","","","","","","1.035","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074456","12.6692","0.0002","19.5522","0.0003","20.8522","0.0005","90","","103.511","0.001","90","","5022.36","0.16","183","2","183","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H75 O11.5 Si6 -","- C38 H75 O11.5 Si6 -","- C152 H300 O46 Si24 -","4","1","","Lorenz, Volker; Blaurock, Steffen; Görls, Helmar; Edelmann, Frank T.","The First Niobasilsesquioxanes§","Organometallics","2006","25","25","5922","","10.1021/om0606587","","","0.71073","MoKα","","0.114","0.0797","","","0.2141","0.2388","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074457","14.677","0.003","14.949","0.003","17.199","0.003","104.56","0.03","96.05","0.03","108.18","0.03","3400","1.5","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H100 Nb2 O18 Si6 -","- C52 H100 Nb2 O18 Si6 -","- C104 H200 Nb4 O36 Si12 -","2","1","","Lorenz, Volker; Blaurock, Steffen; Görls, Helmar; Edelmann, Frank T.","The First Niobasilsesquioxanes§","Organometallics","2006","25","25","5922","","10.1021/om0606587","","","0.71073","MoKα","","0.0855","0.0568","","","0.1598","0.1752","","","","","","0.983","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074458","11.3809","0.0002","12.0411","0.0003","19.0624","0.0004","79.943","0.0012","73.714","0.001","72.302","0.0012","2377.35","0.09","150","1","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H58 N2 O2 P2 Ru -","- C54 H58 N2 O2 P2 Ru -","- C108 H116 N4 O4 P4 Ru2 -","2","1","","Clapham, Sean E.; Guo, Rongwei; Zimmer-De Iuliis, Marco; Rasool, Nailyn; Lough, Alan; Morris, Robert H.","Probing the Effect of the Ligand X on the Properties and Catalytic Activity of the Complexes RuHX(diamine)(PPh3)2(X = OPh, 4-SC6H4OCH3, OPPh2, OP(OEt)2, CCPh, NCCHCN, CH(COOMe)2; diamine = 2,3-Diamino-2,3-dimethylbutane, (R,R)-1,2-Diaminocyclohexane)","Organometallics","2006","25","22","5477","","10.1021/om060661q","","","0.71073","MoKα","","0.0763","0.0491","","","0.1146","0.1299","","","","","","1.027","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074459","17.994","0.004","19.861","0.004","12.143","0.002","90","","91.47","0.03","90","","4338.2","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H54 N2 O P2 Ru S -","- C49 H54 N2 O P2 Ru S -","- C196 H216 N8 O4 P8 Ru4 S4 -","4","1","","Clapham, Sean E.; Guo, Rongwei; Zimmer-De Iuliis, Marco; Rasool, Nailyn; Lough, Alan; Morris, Robert H.","Probing the Effect of the Ligand X on the Properties and Catalytic Activity of the Complexes RuHX(diamine)(PPh3)2(X = OPh, 4-SC6H4OCH3, OPPh2, OP(OEt)2, CCPh, NCCHCN, CH(COOMe)2; diamine = 2,3-Diamino-2,3-dimethylbutane, (R,R)-1,2-Diaminocyclohexane)","Organometallics","2006","25","22","5477","","10.1021/om060661q","","","0.71073","MoKα","","0.0702","0.0422","","","0.0946","0.1072","","","","","","1.044","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074460","12.747","0.0001","16.713","0.0002","21.85","0.0003","90","","93.073","0.0004","90","","4648.24","0.09","150","1","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C49.5 H61 N2 O3 P3 Ru -","- C49.5 H61 N2 O3 P3 Ru -","- C198 H244 N8 O12 P12 Ru4 -","4","1","","Clapham, Sean E.; Guo, Rongwei; Zimmer-De Iuliis, Marco; Rasool, Nailyn; Lough, Alan; Morris, Robert H.","Probing the Effect of the Ligand X on the Properties and Catalytic Activity of the Complexes RuHX(diamine)(PPh3)2(X = OPh, 4-SC6H4OCH3, OPPh2, OP(OEt)2, CCPh, NCCHCN, CH(COOMe)2; diamine = 2,3-Diamino-2,3-dimethylbutane, (R,R)-1,2-Diaminocyclohexane)","Organometallics","2006","25","22","5477","","10.1021/om060661q","","","0.71073","MoKα","","0.0498","0.0344","","","0.0797","0.0865","","","","","","1.039","","","","has coordinates,has disorder","209531","2020-10-21","18:00:00",""
"4074461","10.6504","0.0002","14.0567","0.0002","28.1451","0.0007","90","","90","","90","","4213.59","0.14","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H52 N2 P2 Ru -","- C50 H52 N2 P2 Ru -","- C200 H208 N8 P8 Ru4 -","4","1","","Clapham, Sean E.; Guo, Rongwei; Zimmer-De Iuliis, Marco; Rasool, Nailyn; Lough, Alan; Morris, Robert H.","Probing the Effect of the Ligand X on the Properties and Catalytic Activity of the Complexes RuHX(diamine)(PPh3)2(X = OPh, 4-SC6H4OCH3, OPPh2, OP(OEt)2, CCPh, NCCHCN, CH(COOMe)2; diamine = 2,3-Diamino-2,3-dimethylbutane, (R,R)-1,2-Diaminocyclohexane)","Organometallics","2006","25","22","5477","","10.1021/om060661q","","","0.71073","MoKα","","0.0654","0.0416","","","0.0832","0.0937","","","","","","1.023","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074462","12.6737","0.0006","19.6755","0.0009","17.1281","0.0006","90","","95.344","0.003","90","","4252.5","0.3","150","1","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H54 N2 O4 P2 Ru -","- C47 H54 N2 O4 P2 Ru -","- C188 H216 N8 O16 P8 Ru4 -","4","1","","Clapham, Sean E.; Guo, Rongwei; Zimmer-De Iuliis, Marco; Rasool, Nailyn; Lough, Alan; Morris, Robert H.","Probing the Effect of the Ligand X on the Properties and Catalytic Activity of the Complexes RuHX(diamine)(PPh3)2(X = OPh, 4-SC6H4OCH3, OPPh2, OP(OEt)2, CCPh, NCCHCN, CH(COOMe)2; diamine = 2,3-Diamino-2,3-dimethylbutane, (R,R)-1,2-Diaminocyclohexane)","Organometallics","2006","25","22","5477","","10.1021/om060661q","","","0.71073","MoKα","","0.0833","0.0485","","","0.1107","0.1307","","","","","","1.028","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074463","12.639","0.0008","13.345","0.0011","16.944","0.0013","105.266","0.003","109.11","0.004","102.558","0.004","2456.4","0.3","100","1","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H63 N4 O P2 Ru -","- C57 H63 N4 O P2 Ru -","- C114 H126 N8 O2 P4 Ru2 -","2","1","","Clapham, Sean E.; Guo, Rongwei; Zimmer-De Iuliis, Marco; Rasool, Nailyn; Lough, Alan; Morris, Robert H.","Probing the Effect of the Ligand X on the Properties and Catalytic Activity of the Complexes RuHX(diamine)(PPh3)2(X = OPh, 4-SC6H4OCH3, OPPh2, OP(OEt)2, CCPh, NCCHCN, CH(COOMe)2; diamine = 2,3-Diamino-2,3-dimethylbutane, (R,R)-1,2-Diaminocyclohexane)","Organometallics","2006","25","22","5477","","10.1021/om060661q","","","0.71073","MoKα","","0.1422","0.072","","","0.1685","0.2063","","","","","","1.025","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074464","9.9177","0.0003","12.0637","0.0004","19.3038","0.0007","90","","101.295","0.002","90","","2264.85","0.13","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 I N2 Pd -","- C24 H29 I N2 Pd -","- C96 H116 I4 N8 Pd4 -","4","1","","Kohler, Mark C.; Stockland, Jr., Robert A.; Rath, Nigam P.","Steric and Electronic Effects on Arylphosphonate Elimination from Organopalladium Complexes","Organometallics","2006","25","24","5746","5756","10.1021/om060662i","","","0.71073","MoKα","","0.0332","0.0247","","","0.0534","0.0563","","","","","","1.012","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074465","13.4268","0.0004","11.1315","0.0003","19.8695","0.0006","90","","105.323","0.002","90","","2864.14","0.15","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H38 Cl N2 O3 P Pd -","- C28 H38 Cl N2 O3 P Pd -","- C112 H152 Cl4 N8 O12 P4 Pd4 -","4","1","","Kohler, Mark C.; Stockland, Jr., Robert A.; Rath, Nigam P.","Steric and Electronic Effects on Arylphosphonate Elimination from Organopalladium Complexes","Organometallics","2006","25","24","5746","5756","10.1021/om060662i","","","0.71073","MoKα","","0.0445","0.034","","","0.0801","0.0856","","","","","","1.035","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074466","10.487","0.0007","17.028","0.0012","19.06","0.0016","90","","105.853","0.008","90","","3274.1","0.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 B Cl2 F4 Mo2 S3 -","- C29 H31 B Cl2 F4 Mo2 S3 -","- C116 H124 B4 Cl8 F16 Mo8 S12 -","4","1","","Ojo, Wilfried-Solo; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.","A Bridging Side-on Allenylidene Dimolybdenum Complex without Carbonyl Stabilization","Organometallics","2006","25","22","5503","","10.1021/om060663a","","","0.71069","MoKα","","0.1318","0.0786","","","0.1795","0.2008","","","","","","1.113","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074467","18.033","0.001","15.609","0.001","38.393","0.002","90","","102.405","0.001","90","","10554.5","1.1","150","0.1","150","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39.67 H35.33 P2 S2 Zr -","- C39.6667 H35.3333 P2 S2 Zr -","- C476 H424 P24 S24 Zr12 -","12","1.5","","Cantat, Thibault; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis, Reactivity, and DFT Studies of S−C−S Zirconium(IV) Complexes","Organometallics","2006","25","26","6030","","10.1021/om060665v","","","0.71069","MoKα","","0.0543","0.0378","","","0.0954","0.1015","","","","","","1.061","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074468","19.651","0.001","13.107","0.001","17.849","0.001","90","","104.408","0.001","90","","4452.7","0.5","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C93 H96 Cl4 O2 P4 S4 Zr2 -","- C93 H96 Cl4 O2 P4 S4 Zr2 -","- C186 H192 Cl8 O4 P8 S8 Zr4 -","2","0.5","","Cantat, Thibault; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis, Reactivity, and DFT Studies of S−C−S Zirconium(IV) Complexes","Organometallics","2006","25","26","6030","","10.1021/om060665v","","","0.71069","MoKα","","0.0632","0.0483","","","0.1299","0.1414","","","","","","1.033","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074469","14.29","0.001","13.699","0.001","17.819","0.001","90","","94.419","0.001","90","","3477.9","0.4","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 Cl2 N2 P2 S2 Zr -","- C35 H30 Cl2 N2 P2 S2 Zr -","- C140 H120 Cl8 N8 P8 S8 Zr4 -","4","1","","Cantat, Thibault; Ricard, Louis; Mézailles, Nicolas; Le Floch, Pascal","Synthesis, Reactivity, and DFT Studies of S−C−S Zirconium(IV) Complexes","Organometallics","2006","25","26","6030","","10.1021/om060665v","","","0.71069","MoKα","","0.0548","0.0398","","","0.1062","0.1151","","","","","","1.053","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074470","10.9913","0.0006","11.6576","0.0006","12.2813","0.0007","110.421","0.001","94.994","0.001","113.826","0.001","1300.47","0.12","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H36 Cl2 N2 O Pt Si2 -","- C19 H36 Cl2 N2 O Pt Si2 -","- C38 H72 Cl4 N4 O2 Pt2 Si4 -","2","1","","Lillo, Vanesa; Mata, Jose; Ramírez, Jesús; Peris, Eduardo; Fernandez, Elena","Catalytic Diboration of Unsaturated Molecules with Platinum(0)−NHC: Selective Synthesis of 1,2-Dihydroxysulfones","Organometallics","2006","25","24","5829","","10.1021/om060666n","","x-ray","0.71073","MoKα","","0.0712","0.0428","","","0.0959","0.1074","","","","","","1.029","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074471","13.4499","0.0007","15.1587","0.0008","15.6612","0.0008","75.941","0.001","74.791","0.001","74.997","0.001","2923.3","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H55 Cl9 N4 O8 Pd S4 -","- C47 H55 Cl9 N4 O8 Pd S4 -","- C94 H110 Cl18 N8 O16 Pd2 S8 -","2","1","","Pla-Quintana, Anna; Torrent, Anna; Dachs, Anna; Roglans, Anna; Pleixats, Roser; Moreno-Mañas, Marcial; Parella, Teodor; Benet-Buchholz, Jordi","Chiral and Stable Palladium(0) Complexes of Polyunsaturated Aza-macrocyclic Ligands: Synthesis and Structural Analysis","Organometallics","2006","25","23","5612","","10.1021/om060667f","","","0.71073","MoKα","","0.0964","0.0648","","","0.18","0.2066","","","","","","1.043","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074472","16.677","0.003","29.57","0.005","13.074","0.002","90","","101.293","0.005","90","","6322.5","1.8","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C55.25 H65.5 Cl0.5 N5 O10 Pd S5 -","- C55.26 H65.52 Cl0.52 N5 O10 Pd S5 -","- C221.04 H262.08 Cl2.08 N20 O40 Pd4 S20 -","4","1","","Pla-Quintana, Anna; Torrent, Anna; Dachs, Anna; Roglans, Anna; Pleixats, Roser; Moreno-Mañas, Marcial; Parella, Teodor; Benet-Buchholz, Jordi","Chiral and Stable Palladium(0) Complexes of Polyunsaturated Aza-macrocyclic Ligands: Synthesis and Structural Analysis","Organometallics","2006","25","23","5612","","10.1021/om060667f","","","0.71073","MoKα","","0.2033","0.0874","","","0.2132","0.2766","","","","","","0.99","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074473","11.2912","0.0008","11.7993","0.0009","14.9326","0.0011","112.667","0.002","91.155","0.002","101.052","0.002","1792","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H39 Cl2 N3 O6 Pd S3 -","- C34 H39 Cl2 N3 O6 Pd S3 -","- C68 H78 Cl4 N6 O12 Pd2 S6 -","2","1","","Pla-Quintana, Anna; Torrent, Anna; Dachs, Anna; Roglans, Anna; Pleixats, Roser; Moreno-Mañas, Marcial; Parella, Teodor; Benet-Buchholz, Jordi","Chiral and Stable Palladium(0) Complexes of Polyunsaturated Aza-macrocyclic Ligands: Synthesis and Structural Analysis","Organometallics","2006","25","23","5612","","10.1021/om060667f","","","0.71073","MoKα","","0.0716","0.0651","","","0.1706","0.1742","","","","","","1.13","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074474","16.4323","0.001","11.1747","0.0006","19.1546","0.001","90","","113.293","0.001","90","","3230.6","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H35 N3 O6 Pd S3 -","- C33 H35 N3 O6 Pd S3 -","- C132 H140 N12 O24 Pd4 S12 -","4","1","","Pla-Quintana, Anna; Torrent, Anna; Dachs, Anna; Roglans, Anna; Pleixats, Roser; Moreno-Mañas, Marcial; Parella, Teodor; Benet-Buchholz, Jordi","Chiral and Stable Palladium(0) Complexes of Polyunsaturated Aza-macrocyclic Ligands: Synthesis and Structural Analysis","Organometallics","2006","25","23","5612","","10.1021/om060667f","","","0.71073","MoKα","","0.073","0.0394","","","0.089","0.1025","","","","","","1.016","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074475","15.139","0.004","16.748","0.004","20.323","0.005","80.194","0.011","69.414","0.01","78.327","0.011","4696","2","173","2","173","2","","","","","","","","7","P -1","-P 1","2","cis-PtMe2(psit)2","cis-dimethybis(10-(4'-dimethylaminophenyl)-9-phsopha- 10-silatriptycene-kP)platinum","","- C94 H130 N2 O14 P2 Pt Si2 -","- C94 H130 N2 O14 P2 Pt Si2 -","- C188 H260 N4 O28 P4 Pt2 Si4 -","2","1","","Tsuji, Hayato; Inoue, Tomoyuki; Kaneta, Yasuhiro; Sase, Shohei; Kawachi, Atsushi; Tamao, Kohei","Synthesis, Structure, and Properties of 9-Phospha-10-silatriptycenes and their Derivatives","Organometallics","2006","25","26","6142","","10.1021/om060681s","","","0.7107","MoKα","","0.0673","0.0516","","","0.1079","0.1161","","","","","","1.064","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074476","15.18","0.005","15.044","0.008","17.907","0.006","90","","94.82","0.03","90","","4075","3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H53 F6 P Ru3 -","- C35 H53 F6 P Ru3 -","- C140 H212 F24 P4 Ru12 -","4","1","","Takao, Toshiro; Inagaki, Akiko; Imamura, Tsubomi; Suzuki, Hiroharu","Oxidation-Induced Rearrangement from anido- to acloso-Ruthenacyclopentadiene","Organometallics","2006","25","23","5511","","10.1021/om060682k","","","0.71069","MoKα","","0.0847","0.0516","","","0.1493","0.1722","","","","","","1.064","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074477","10.5992","0.0015","11.5384","0.0017","12.7577","0.0019","64.097","0.003","82.87","0.003","82.57","0.003","1387.7","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H45 N O2 Zr -","- C29 H45 N O2 Zr -","- C58 H90 N2 O4 Zr2 -","2","1","","Coles, Stuart R.; Clarkson, Guy J.; Gott, Andrew L.; Munslow, Ian J.; Spitzmesser, Stefan K.; Scott, Peter","Half-Sandwich Group 4 Salicyloxazoline Catalysts","Organometallics","2006","25","26","6019","","10.1021/om060687h","","","0.71073","MoKα","","0.0694","0.0431","","","0.0766","0.0834","","","","","","0.962","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074478","9.8486","0.0003","13.7408","0.0004","22.8455","0.0006","90","","98.459","0.001","90","","3058","0.15","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H41.5 Cl2 N O2.25 Zr -","- C28 H39 Cl2 N O2.25 Zr -","- C112 H156 Cl8 N4 O9 Zr4 -","4","1","","Coles, Stuart R.; Clarkson, Guy J.; Gott, Andrew L.; Munslow, Ian J.; Spitzmesser, Stefan K.; Scott, Peter","Half-Sandwich Group 4 Salicyloxazoline Catalysts","Organometallics","2006","25","26","6019","","10.1021/om060687h","","","0.71073","MoKα","","0.1158","0.0523","","","0.1084","0.1238","","","","","","0.899","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074479","9.4657","0.0006","16.7741","0.001","9.6448","0.0006","90","","102.54","0.001","90","","1494.86","0.16","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H43 Cl2 N O2 Zr -","- C29 H43 Cl2 N O2 Zr -","- C58 H86 Cl4 N2 O4 Zr2 -","2","1","","Coles, Stuart R.; Clarkson, Guy J.; Gott, Andrew L.; Munslow, Ian J.; Spitzmesser, Stefan K.; Scott, Peter","Half-Sandwich Group 4 Salicyloxazoline Catalysts","Organometallics","2006","25","26","6019","","10.1021/om060687h","","","0.71073","MoKα","","0.116","0.0669","","","0.1246","0.1396","","","","","","0.874","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074480","9.9224","0.0002","13.8597","0.0003","23.0046","0.0005","90","","98.59","0.001","90","","3128.14","0.12","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H41.5 Cl2 Hf N O2.25 -","- C28 H39 Cl2 Hf N O2.25 -","- C112 H156 Cl8 Hf4 N4 O9 -","4","1","","Coles, Stuart R.; Clarkson, Guy J.; Gott, Andrew L.; Munslow, Ian J.; Spitzmesser, Stefan K.; Scott, Peter","Half-Sandwich Group 4 Salicyloxazoline Catalysts","Organometallics","2006","25","26","6019","","10.1021/om060687h","","","0.71073","MoKα","","0.0511","0.0387","","","0.0894","0.0917","","","","","","0.957","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074481","10.8183","0.0008","21.372","0.0015","17.4369","0.0013","90","","93.297","0.003","90","","4024.9","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","10","Bis(diphenyl(ferrocenylethynyl)phosphane)palladium dichloride","","- C48 H38 Cl2 Fe2 P2 Pd -","- C48 H38 Cl2 Fe2 P2 Pd -","- C192 H152 Cl8 Fe8 P8 Pd4 -","4","1","","Baumgartner, Thomas; Fiege, Marcel; Pontzen, Florian; Arteaga-Müller, Rocio","Redox-Active, Multinuclear (Ferrocenylethynyl)phosphanes and Their Palladium and Platinum Complexes","Organometallics","2006","25","23","5657","","10.1021/om0606892","","","0.71073","MoKα","","0.0952","0.0704","","","0.1216","0.1302","","","","","","1.164","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074482","10.895","0.002","21.539","0.004","17.514","0.003","90","","93.625","0.003","90","","4101.7","1.3","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","11","Bis(diphenyl(ferrocenylethynyl)phosphane)platinum dichloride","","- C48 H38 Cl2 Fe2 P2 Pt -","- C48 H38 Cl2 Fe2 P2 Pt -","- C192 H152 Cl8 Fe8 P8 Pt4 -","4","1","","Baumgartner, Thomas; Fiege, Marcel; Pontzen, Florian; Arteaga-Müller, Rocio","Redox-Active, Multinuclear (Ferrocenylethynyl)phosphanes and Their Palladium and Platinum Complexes","Organometallics","2006","25","23","5657","","10.1021/om0606892","","","0.71073","MoKα","","0.0521","0.0302","","","0.0641","0.0743","","","","","","1.092","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074483","7.601","0.003","12.04","0.002","13.0166","0.0017","107.208","0.013","101.176","0.019","102.58","0.02","1067.1","0.5","228","2","228","2","","","","","","","","6","P -1","-P 1","2","13","Bis(diphenyl(ferrocenylethynyl)phosphane)palladium diiodide","","- C48 H38 Fe2 I2 P2 Pd -","- C48 H38 Fe2 I2 P2 Pd -","- C48 H38 Fe2 I2 P2 Pd -","1","0.5","","Baumgartner, Thomas; Fiege, Marcel; Pontzen, Florian; Arteaga-Müller, Rocio","Redox-Active, Multinuclear (Ferrocenylethynyl)phosphanes and Their Palladium and Platinum Complexes","Organometallics","2006","25","23","5657","","10.1021/om0606892","","","0.71073","MoKα","","0.074","0.0656","","","0.2089","0.2159","","","","","","1.097","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074484","12.712","0.002","14.622","0.003","15.029","0.004","80.204","0.013","65.035","0.009","64.229","0.011","2280.3","0.9","123.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H35 N2 Na O2 -","- C23 H35 N2 Na O2 -","- C92 H140 N8 Na4 O8 -","4","2","","Zhang, Dao; Kawaguchi, Hiroyuki","Deprotonation Attempts on Imidazolium Salt Tethered by Substituted Phenol and Construction of Its Magnesium Complex by Transmetalation","Organometallics","2006","25","22","5506","5509","10.1021/om060691t","","","0.7107","MoKα","","","0.055","","","","0.164","","","","","","1.004","","","","has coordinates","209866","2020-10-21","18:00:00",""
"4074485","12.325","0.004","25.461","0.009","17.227","0.006","90","","89.957","0.005","90","","5406","3","123.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C56 H78 Mg2 N4 O2 -","- C56 H76 Mg2 N4 O2 -","- C224 H304 Mg8 N16 O8 -","4","1","","Zhang, Dao; Kawaguchi, Hiroyuki","Deprotonation Attempts on Imidazolium Salt Tethered by Substituted Phenol and Construction of Its Magnesium Complex by Transmetalation","Organometallics","2006","25","22","5506","5509","10.1021/om060691t","","","0.7107","MoKα","","","0.067","","","","0.129","","","","","","0.978","","","","has coordinates","209866","2020-10-21","18:00:00",""
"4074486","11.4095","0.0015","21.711","0.004","22.396","0.004","90","","90.851","0.006","90","","5547.1","1.6","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C63 H50 Al F15 N2 Zr -","- C63 H50 Al F15 N2 Zr -","- C252 H200 Al4 F60 N8 Zr4 -","4","1","","Tsurugi, Hayato; Mashima, Kazushi","Preparation and Characterization of a Zwitterionic (Iminopyrrolyl)zirconium Complex with Benzylaluminate Anion and Its Catalytic Performance for 1-Hexene Polymerization","Organometallics","2006","25","22","5210","","10.1021/om060692l","","","0.71075","MoKα","","0.1336","0.0735","","","0.1646","0.1891","","","","","","1.021","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074487","14.3246","0.0003","10.0441","0.0003","16.7107","0.0004","90","","91.807","0.002","90","","2403.1","0.1","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(eta^5-pentamethylcyclopentadienyl)-tris(tert.butyl)-di-aluminium","","- C22 H42 Al2 -","- C22 H42 Al2 -","- C88 H168 Al8 -","4","1","","Schulz, Stephan; Kuczkowski, Andreas; Schuchmann, Daniella; Flörke, Ulrich; Nieger, Martin","Group 13−Group 13 Donor−Acceptor Complexes","Organometallics","2006","25","22","5487","","10.1021/om0606946","","","0.71073","MoKα","","0.084","0.0743","","","0.1901","0.1952","","","","","","1.135","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074488","14.24","0.006","9.951","0.004","16.567","0.007","90","","91.545","0.011","90","","2346.7","1.7","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Al Ga -","- C22 H42 Al Ga -","- C88 H168 Al4 Ga4 -","4","1","","Schulz, Stephan; Kuczkowski, Andreas; Schuchmann, Daniella; Flörke, Ulrich; Nieger, Martin","Group 13−Group 13 Donor−Acceptor Complexes","Organometallics","2006","25","22","5487","","10.1021/om0606946","","","0.71073","MoKα","","0.1932","0.1074","","","0.2604","0.2959","","","","","","0.972","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074489","14.14","0.004","10.496","0.003","16.579","0.004","90","","90.629","0.005","90","","2460.4","1.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Al In -","- C22 H42 Al In -","- C88 H168 Al4 In4 -","4","1","","Schulz, Stephan; Kuczkowski, Andreas; Schuchmann, Daniella; Flörke, Ulrich; Nieger, Martin","Group 13−Group 13 Donor−Acceptor Complexes","Organometallics","2006","25","22","5487","","10.1021/om0606946","","","0.71073","MoKα","","0.1218","0.1017","","","0.2401","0.2508","","","","","","1.124","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074490","14.309","0.004","9.947","0.003","16.646","0.005","90","","91.432","0.007","90","","2368.5","1.2","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Al Ga -","- C22 H42 Al Ga -","- C88 H168 Al4 Ga4 -","4","1","","Schulz, Stephan; Kuczkowski, Andreas; Schuchmann, Daniella; Flörke, Ulrich; Nieger, Martin","Group 13−Group 13 Donor−Acceptor Complexes","Organometallics","2006","25","22","5487","","10.1021/om0606946","","","0.71073","MoKα","","0.1524","0.0901","","","0.1971","0.2169","","","","","","1.002","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074491","14.179","0.006","10.519","0.004","16.601","0.007","90","","90.153","0.006","90","","2476","1.8","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Ga In -","- C22 H42 Ga In -","- C88 H168 Ga4 In4 -","4","1","","Schulz, Stephan; Kuczkowski, Andreas; Schuchmann, Daniella; Flörke, Ulrich; Nieger, Martin","Group 13−Group 13 Donor−Acceptor Complexes","Organometallics","2006","25","22","5487","","10.1021/om0606946","","","0.71073","MoKα","","0.1409","0.097","","","0.2499","0.2739","","","","","","1.086","","","","has coordinates,has disorder","178633","2020-10-21","18:00:00",""
"4074492","14.2815","0.0008","14.4823","0.0008","14.7312","0.0008","70.554","0.001","89.09","0.001","69.785","0.001","2679.1","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H93 Ir2 N2 P4 -","- C51 H93 Ir2 N2 P4 -","- C102 H186 Ir4 N4 P8 -","2","1","","Ghosh, Rajshekhar; Kanzelberger, Mira; Emge, Thomas J.; Hall, Gene S.; Goldman, Alan S.","Dinitrogen Complexes of Pincer-Ligated Iridium","Organometallics","2006","25","23","5668","","10.1021/om0607043","","","0.71073","MoKα","","0.0213","0.019","","","0.0459","0.0468","","","","","","1.007","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074493","11.2546","0.0008","15.851","0.0011","29.533","0.002","89.034","0.001","81.718","0.001","88.825","0.001","5212","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H43 Ir N2 P2 -","- C24 H43 Ir N2 P2 -","- C192 H344 Ir8 N16 P16 -","8","4","","Ghosh, Rajshekhar; Kanzelberger, Mira; Emge, Thomas J.; Hall, Gene S.; Goldman, Alan S.","Dinitrogen Complexes of Pincer-Ligated Iridium","Organometallics","2006","25","23","5668","","10.1021/om0607043","","","0.71073","MoKα","","0.0235","0.0202","","","0.0421","0.0431","","","","","","1.011","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074494","8.6034","0.0016","13.1","0.002","19.985","0.004","103.091","0.003","101.413","0.004","96.798","0.004","2118.8","0.7","90","2","90","","","","","","","","","4","P -1","-P 1","2","5a","","","- C24 H60 O14 Si8 -","- C24 H60 O14 Si8 -","- C48 H120 O28 Si16 -","2","1","","Suyama, Ken-ichi; Gunji, Takahiro; Arimitsu, Koji; Abe, Yoshimoto","Synthesis and Structure of Ladder Oligosilsesquioxanes: Tricyclic Ladder Oligomethylsilsesquioxanes","Organometallics","2006","25","23","5587","","10.1021/om060705v","","","0.71073","MoKα","","0.0662","0.058","","","0.1729","0.1843","","","","","","1.104","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074495","8.5654","0.0014","13.721","0.002","19.278","0.003","76.599","0.002","78.407","0.002","83.239","0.002","2153","0.6","90","","90","","","","","","","","","4","P -1","-P 1","2","5d","","","- C24 H60 O14 Si8 -","- C24 H60 O14 Si8 -","- C48 H120 O28 Si16 -","2","1","","Suyama, Ken-ichi; Gunji, Takahiro; Arimitsu, Koji; Abe, Yoshimoto","Synthesis and Structure of Ladder Oligosilsesquioxanes: Tricyclic Ladder Oligomethylsilsesquioxanes","Organometallics","2006","25","23","5587","","10.1021/om060705v","","","0.71073","MoKα","","0.0702","0.0554","","","0.1225","0.1279","","","","","","1.153","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074496","8.84","0.004","30.94","0.013","11.113","0.005","90","","98.779","0.008","90","","3004","2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Ti(dmpm-mes)(NMe2)2","","","- C33 H44 N4 Ti -","- C33 H44 N4 Ti -","- C132 H176 N16 Ti4 -","4","1","","Swartz, Douglas L.; Odom, Aaron L.","Synthesis, Structure, and Hydroamination Kinetics of (2,2‘-Diaryldipyrrolylmethane)- and Bis(2-arylpyrrolyl)titanium Complexes","Organometallics","2006","25","26","6125","","10.1021/om0607088","","","0.71073","MoKα","","0.2849","0.0809","","","0.1948","0.3091","","","","","","0.983","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074497","19.534","0.003","8.1035","0.0012","19.178","0.003","90","","105.277","0.003","90","","2928.5","0.8","446","2","446","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ti(NMe2)2(2-(3,5-CF3C6H3)pyrrolyl)2","","","- C28 H24 F12 N4 Ti -","- C28 H24 F12 N4 Ti -","- C112 H96 F48 N16 Ti4 -","4","1","","Swartz, Douglas L.; Odom, Aaron L.","Synthesis, Structure, and Hydroamination Kinetics of (2,2‘-Diaryldipyrrolylmethane)- and Bis(2-arylpyrrolyl)titanium Complexes","Organometallics","2006","25","26","6125","","10.1021/om0607088","","","0.71073","MoKα","","0.0919","0.0512","","","0.1328","0.1534","","","","","","1.03","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074498","12.602","0.01","12.626","0.011","12.793","0.011","78.106","0.014","64.44","0.012","62.658","0.012","1631","2","172","2","172","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 F12 N4 Ti -","- C31 H28 F12 N4 Ti -","- C62 H56 F24 N8 Ti2 -","2","1","","Swartz, Douglas L.; Odom, Aaron L.","Synthesis, Structure, and Hydroamination Kinetics of (2,2‘-Diaryldipyrrolylmethane)- and Bis(2-arylpyrrolyl)titanium Complexes","Organometallics","2006","25","26","6125","","10.1021/om0607088","","","0.71073","MoKα","","0.112","0.0634","","","0.1648","0.201","","","","","","1.009","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074499","7.7446","0.0011","12.2148","0.0017","16.177","0.002","74.266","0.003","82.985","0.003","72.952","0.003","1406.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H40 N4 Ti -","- C30 H40 N4 Ti -","- C60 H80 N8 Ti2 -","2","1","","Swartz, Douglas L.; Odom, Aaron L.","Synthesis, Structure, and Hydroamination Kinetics of (2,2‘-Diaryldipyrrolylmethane)- and Bis(2-arylpyrrolyl)titanium Complexes","Organometallics","2006","25","26","6125","","10.1021/om0607088","","","0.71073","MoKα","","0.0989","0.0632","","","0.169","0.188","","","","","","1.056","","","","has coordinates","178633","2020-10-21","18:00:00",""
"4074500","7.771","0.002","16.806","0.005","11.91","0.004","90","","103.515","0.005","90","","1512.4","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 Fe2 O7 S2 -","- C10 H8 Fe2 O7 S2 -","- C40 H32 Fe8 O28 S8 -","4","1","","Song, Li-Cheng; Gao, Jie; Wang, Hu-Ting; Hua, Yu-Juan; Fan, Hong-Tao; Zhang, Xiao-Guang; Hu, Qing-Mei","Synthesis and Structural Characterization of Metallocrown Ethers Containing Butterfly Fe2S2Cluster Cores. Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2CH2OCH2CH2S-μ)(CO)6","Organometallics","2006","25","24","5724","","10.1021/om060711r","","","0.71073","MoKα","","0.0454","0.0295","","","0.0571","0.0625","","","","","","1.027","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074501","24.931","0.01","8.33","0.003","22.685","0.009","90","","94.437","0.013","90","","4697","3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Fe4 N0 O20 S4 -","- C32 H40 Fe4 O20 S4 -","- C128 H160 Fe16 O80 S16 -","4","0.5","","Song, Li-Cheng; Gao, Jie; Wang, Hu-Ting; Hua, Yu-Juan; Fan, Hong-Tao; Zhang, Xiao-Guang; Hu, Qing-Mei","Synthesis and Structural Characterization of Metallocrown Ethers Containing Butterfly Fe2S2Cluster Cores. Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2CH2OCH2CH2S-μ)(CO)6","Organometallics","2006","25","24","5724","","10.1021/om060711r","","","0.71073","MoKα","","0.0953","0.0405","","","0.0817","0.113","","","","","","0.953","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074502","15.933","0.005","10.426","0.003","38.005","0.011","90","","95.643","0.005","90","","6283","3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Fe4 O14 S4 -","- C20 H16 Fe4 O14 S4 -","- C160 H128 Fe32 O112 S32 -","8","2","","Song, Li-Cheng; Gao, Jie; Wang, Hu-Ting; Hua, Yu-Juan; Fan, Hong-Tao; Zhang, Xiao-Guang; Hu, Qing-Mei","Synthesis and Structural Characterization of Metallocrown Ethers Containing Butterfly Fe2S2Cluster Cores. Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2CH2OCH2CH2S-μ)(CO)6","Organometallics","2006","25","24","5724","","10.1021/om060711r","","","0.71073","MoKα","","0.1157","0.0566","","","0.0945","0.1091","","","","","","1.027","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074503","11.3991","0.001","14.296","0.0016","14.8001","0.0011","68.146","0.001","68.994","0.001","88.697","0.002","2072.6","0.3","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C14 H16 Fe2 O9 S2 -","- C14 H16 Fe2 O9 S2 -","- C56 H64 Fe8 O36 S8 -","4","4","","Song, Li-Cheng; Gao, Jie; Wang, Hu-Ting; Hua, Yu-Juan; Fan, Hong-Tao; Zhang, Xiao-Guang; Hu, Qing-Mei","Synthesis and Structural Characterization of Metallocrown Ethers Containing Butterfly Fe2S2Cluster Cores. Biomimetic Hydrogen Evolution Catalyzed by Fe2(μ-SCH2CH2OCH2CH2S-μ)(CO)6","Organometallics","2006","25","24","5724","","10.1021/om060711r","","","0.71073","MoKα","","0.0429","0.032","","","0.0816","0.0888","","","","","","1.02","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074504","11.368","0.002","28.186","0.005","11.873","0.002","90","","112.828","0.004","90","","3506.3","1.1","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H47 Br2 Cl3 P2 Pd2 -","- C29 H47 Br2 Cl3 P2 Pd2 -","- C116 H188 Br8 Cl12 P8 Pd8 -","4","1","","Christmann, Ute; Pantazis, Dimitrios A.; Benet-Buchholz, Jordi; McGrady, John E.; Maseras, Feliu; Vilar, Ramón","Synthesis and Computational Studies of Palladium(I) Dimers Pd2X2(PtBu2Ph)2(X = Br, I): Phenyl versus Halide Bridging Modes","Organometallics","2006","25","26","5990","","10.1021/om060712j","","","0.71073","MoKα","","0.085","0.0411","","","0.081","0.0921","","","","","","1.009","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074505","13.3714","0.0008","16.3972","0.001","16.369","0.0009","90","","94.351","0.001","90","","3578.6","0.4","115","2","115","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H54 Cl Fe Ir O P2 -","- C35 H54 Cl Fe Ir O P2 -","- C140 H216 Cl4 Fe4 Ir4 O4 P8 -","4","1","","Kuklin, Sergey A.; Sheloumov, Alexey M.; Dolgushin, Fedor M.; Ezernitskaya, Mariam G.; Peregudov, Alexander S.; Petrovskii, Pavel V.; Koridze, Avthandil A.","Highly Active Iridium Catalysts for Alkane Dehydrogenation. Synthesis and Properties of Iridium Bis(phosphine) Pincer Complexes Based on Ferrocene and Ruthenocene","Organometallics","2006","25","22","5466","","10.1021/om060715w","","","0.71073","MoKα","","0.0356","0.0309","","","0.0738","0.0759","","","","","","1.025","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074506","8.552","0.002","18.948","0.005","18.375","0.006","90","","92.55","0.03","90","","2974.6","1.4","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C29 H47 Fe Ir O P2 -","- C29 H47 Fe Ir O P2 -","- C116 H188 Fe4 Ir4 O4 P8 -","4","1","","Kuklin, Sergey A.; Sheloumov, Alexey M.; Dolgushin, Fedor M.; Ezernitskaya, Mariam G.; Peregudov, Alexander S.; Petrovskii, Pavel V.; Koridze, Avthandil A.","Highly Active Iridium Catalysts for Alkane Dehydrogenation. Synthesis and Properties of Iridium Bis(phosphine) Pincer Complexes Based on Ferrocene and Ruthenocene","Organometallics","2006","25","22","5466","","10.1021/om060715w","","","0.71073","MoKα","","0.0398","0.0251","","","0.0617","0.066","","","","","","1.02","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074507","8.2658","0.0007","12.0302","0.0011","13.4002","0.0012","100.742","0.002","96.022","0.002","103.813","0.002","1255.61","0.19","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H39 Ir O3 P2 -","- C23 H39 Ir O3 P2 -","- C46 H78 Ir2 O6 P4 -","2","1","","Kuklin, Sergey A.; Sheloumov, Alexey M.; Dolgushin, Fedor M.; Ezernitskaya, Mariam G.; Peregudov, Alexander S.; Petrovskii, Pavel V.; Koridze, Avthandil A.","Highly Active Iridium Catalysts for Alkane Dehydrogenation. Synthesis and Properties of Iridium Bis(phosphine) Pincer Complexes Based on Ferrocene and Ruthenocene","Organometallics","2006","25","22","5466","","10.1021/om060715w","","","0.71073","MoKα","","0.0303","0.0266","","","0.0657","0.0674","","","","","","1.049","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074508","11.359","0.002","11.784","0.002","12.843","0.003","100.44","0.03","94.37","0.03","115.06","0.03","1508.7","0.7","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H50 O4 P2 -","- C30 H50 O4 P2 -","- C60 H100 O8 P4 -","2","1","","Dodds, Deborah L.; Haddow, Mairi F.; Orpen, A. Guy; Pringle, Paul G.; Woodward, Gary","Stereospecific Diphosphination of Activated Acetylenes: A General Route to Backbone-Functionalized, Chelating 1,2-Diphosphinoethenes","Organometallics","2006","25","25","5937","","10.1021/om060716o","","","0.71073","MoKα","","0.0492","0.0425","","","0.0985","0.1023","","","","","","1.048","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074509","13.2422","0.001","19.2312","0.0019","14.6945","0.0011","90","","94.133","0.008","90","","3732.4","0.5","173","2","446","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H51 Cl5 O4 P2 Pt -","- C31 H51 Cl5 O4 P2 Pt -","- C124 H204 Cl20 O16 P8 Pt4 -","4","1","","Dodds, Deborah L.; Haddow, Mairi F.; Orpen, A. Guy; Pringle, Paul G.; Woodward, Gary","Stereospecific Diphosphination of Activated Acetylenes: A General Route to Backbone-Functionalized, Chelating 1,2-Diphosphinoethenes","Organometallics","2006","25","25","5937","","10.1021/om060716o","","","0.71073","MoKα","","0.0526","0.032","","","0.0641","0.0678","","","","","","0.927","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074510","8.8712","0.0005","11.635","0.0007","17.5707","0.001","90.801","0.001","104.334","0.001","108.685","0.001","1655.89","0.17","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H35 Cl5 O4 P2 Pt -","- C27 H35 Cl5 O4 P2 Pt -","- C54 H70 Cl10 O8 P4 Pt2 -","2","1","","Dodds, Deborah L.; Haddow, Mairi F.; Orpen, A. Guy; Pringle, Paul G.; Woodward, Gary","Stereospecific Diphosphination of Activated Acetylenes: A General Route to Backbone-Functionalized, Chelating 1,2-Diphosphinoethenes","Organometallics","2006","25","25","5937","","10.1021/om060716o","","","0.71073","MoKα","","0.0414","0.0339","","","0.0833","0.0868","","","","","","1.02","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074511","12.271","0.003","14.619","0.003","18.508","0.004","90","","93.4","0.03","90","","3314.3","1.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H40 Cl4 O4 P2 Pt -","- C31 H40 Cl4 O4 P2 Pt -","- C124 H160 Cl16 O16 P8 Pt4 -","4","1","","Dodds, Deborah L.; Haddow, Mairi F.; Orpen, A. Guy; Pringle, Paul G.; Woodward, Gary","Stereospecific Diphosphination of Activated Acetylenes: A General Route to Backbone-Functionalized, Chelating 1,2-Diphosphinoethenes","Organometallics","2006","25","25","5937","","10.1021/om060716o","","","0.71073","MoKα","","0.0518","0.0378","","","0.0887","0.1115","","","","","","1.021","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074512","8.844","0.003","11.587","0.005","17.47","0.007","90.783","0.009","104.471","0.008","109.036","0.009","1629.8","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H35 Cl5 O4 P2 Pd -","- C27 H35 Cl5 O4 P2 Pd -","- C54 H70 Cl10 O8 P4 Pd2 -","2","1","","Dodds, Deborah L.; Haddow, Mairi F.; Orpen, A. Guy; Pringle, Paul G.; Woodward, Gary","Stereospecific Diphosphination of Activated Acetylenes: A General Route to Backbone-Functionalized, Chelating 1,2-Diphosphinoethenes","Organometallics","2006","25","25","5937","","10.1021/om060716o","","","0.71073","MoKα","","0.0445","0.0334","","","0.0836","0.0893","","","","","","1.041","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074513","12.398","0.003","12.884","0.003","14.925","0.003","90","","113.66","0.03","90","","2183.7","1","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 F6 N4 O2 P Rh -","- C17 H24 F6 N4 O2 P Rh -","- C68 H96 F24 N16 O8 P4 Rh4 -","4","1","","Leung, Chin Hin; Incarvito, Christopher D.; Crabtree, Robert H.","Interplay of Linker,N-Substituent, and Counterion Effects in the Formation and Geometrical Distortion ofN-Heterocyclic Biscarbene Complexes of Rhodium(I)","Organometallics","2006","25","26","6099","","10.1021/om0607189","","","0.71073","MoKα","","0.0456","0.0335","","","0.0804","0.0849","","","","","","1.04","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074514","24.919","0.005","13.643","0.003","15.498","0.003","90","","92.83","0.03","90","","5262.4","1.9","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 F6 N4 P Rh -","- C23 H36 F6 N4 P Rh -","- C184 H288 F48 N32 P8 Rh8 -","8","2","","Leung, Chin Hin; Incarvito, Christopher D.; Crabtree, Robert H.","Interplay of Linker,N-Substituent, and Counterion Effects in the Formation and Geometrical Distortion ofN-Heterocyclic Biscarbene Complexes of Rhodium(I)","Organometallics","2006","25","26","6099","","10.1021/om0607189","","","0.71073","MoKα","","0.0666","0.0452","","","0.1218","0.132","","","","","","1.012","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074515","12.6554","0.0017","21.369","0.003","16.374","0.002","90","","99.367","0.002","90","","4369","1","294","2","294","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C42 H64 Al N3 Si2 -","- C42 H64 Al N3 Si2 -","- C168 H256 Al4 N12 Si8 -","4","2","","Li, Xiaofei; Duan, Lili; Song, Haibin; Ni, Chengbao; Cui, Chunming","Facile Generation of Aluminum 1,2-Dihydropyridyl and Hydroxyl Derivatives from an Aluminum Cyclopropene Analogue","Organometallics","2006","25","23","5665","","10.1021/om060722k","","","0.71073","MoKα","","0.1182","0.0642","","","0.1571","0.1929","","","","","","1.007","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074516","11.326","0.004","19.69","0.007","18.246","0.006","90","","102.217","0.004","90","","3977","2","273","2","273","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H62 Al N2 O Si2 -","- C37 H62 Al N2 O Si2 -","- C148 H248 Al4 N8 O4 Si8 -","4","1","","Li, Xiaofei; Duan, Lili; Song, Haibin; Ni, Chengbao; Cui, Chunming","Facile Generation of Aluminum 1,2-Dihydropyridyl and Hydroxyl Derivatives from an Aluminum Cyclopropene Analogue","Organometallics","2006","25","23","5665","","10.1021/om060722k","","","0.71073","MoKα","","0.0671","0.0454","","","0.1215","0.1355","","","","","","1.031","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074517","15.81","0.004","7.3312","0.0015","10.694","0.003","90","","98.64","0.03","90","","1225.4","0.5","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H16 Cl2 O2 Pt -","- C8 H16 Cl2 O2 Pt -","- C32 H64 Cl8 O8 Pt4 -","4","0.5","","Werner, Michael; Lis, Tadeusz; Bruhn, Clemens; Lindner, Ronald; Steinborn, Dirk","Synthesis and Reactivity of Bis(alkoxyalkylidene)platinum(II) Complexes§","Organometallics","2006","25","25","5946","","10.1021/om060725x","","","0.71073","MoKα","","0.0306","0.0287","","","0.0889","0.0937","","","","","","1.354","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074518","11.448","0.003","12.132","0.003","14.356","0.003","90","","92.27","0.03","90","","1992.3","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H12 Cl2 O2 Pt -","- C6 H12 Cl2 O2 Pt -","- C48 H96 Cl16 O16 Pt8 -","8","2","","Werner, Michael; Lis, Tadeusz; Bruhn, Clemens; Lindner, Ronald; Steinborn, Dirk","Synthesis and Reactivity of Bis(alkoxyalkylidene)platinum(II) Complexes§","Organometallics","2006","25","25","5946","","10.1021/om060725x","","","0.71073","MoKα","","0.0575","0.0494","","","0.1324","0.1381","","","","","","1.075","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074519","9.71","0.003","13.593","0.004","15.154","0.005","85.181","0.008","89.777","0.008","77.53","0.008","1945.8","1.1","293","2","293","2","","","","","","","","7","P 1","P 1","1","[PdCl(2-methallyl)(phosphoramidite)]","","","- C80 H76 Cl2 N2 O12 P2 Pd2 -","- C40 H38 Cl N O6 P Pd -","- C80 H76 Cl2 N2 O12 P2 Pd2 -","2","2","","Filipuzzi, Serena; Pregosin, Paul S.; Albinati, Alberto; Rizzato, Silvia","Palladium-Allyl Phosphoramidite Complexes: Solid-State Structures and Solution Dynamics","Organometallics","2006","25","25","5955","","10.1021/om060726p","","","0.71073","MoKα","","0.1182","0.0913","","","0.2219","0.2406","","","","","","1.046","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074520","11.502","0.004","6.147","0.003","24.67","0.009","90","","101.81","0.03","90","","1707.3","1.2","188","2","188","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H11 Cr N O5 -","- C18 H11 Cr N O5 -","- C72 H44 Cr4 N4 O20 -","4","1","","Szesni, Normen; Drexler, Matthias; Maurer, Jörg; Winter, Rainer F.; de Montigny, Frédéric; Lapinte, Claude; Steffens, Stefan; Heck, Jürgen; Weibert, Bernhard; Fischer, Helmut","Intermetallic Communication through Carbon Wires in Heterobinuclear Cationic Allenylidene Complexes of Chromium","Organometallics","2006","25","24","5774","","10.1021/om0607301","","","0.71073","MoKα","","0.1126","0.0548","","","0.1037","0.1226","","","","","","1.018","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074521","13.557","0.003","17.219","0.003","12.975","0.003","90","","97.52","0.03","90","","3002.8","1.1","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H28 Cr Fe N O4 P -","- C35 H28 Cr Fe N O4 P -","- C140 H112 Cr4 Fe4 N4 O16 P4 -","4","1","","Szesni, Normen; Drexler, Matthias; Maurer, Jörg; Winter, Rainer F.; de Montigny, Frédéric; Lapinte, Claude; Steffens, Stefan; Heck, Jürgen; Weibert, Bernhard; Fischer, Helmut","Intermetallic Communication through Carbon Wires in Heterobinuclear Cationic Allenylidene Complexes of Chromium","Organometallics","2006","25","24","5774","","10.1021/om0607301","","","0.71073","MoKα","","0.0988","0.053","","","0.1119","0.1235","","","","","","0.856","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074522","10.2456","0.0006","16.1291","0.001","17.4406","0.001","83.523","0.001","82.495","0.001","76.275","0.001","2765.8","0.3","243","2","243","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H87 N O2 P8 W2 -","- C42 H87 N O2 P8 W2 -","- C84 H174 N2 O4 P16 W4 -","2","1","","Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard","C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes","Organometallics","2006","25","25","5839","","10.1021/om060732l","","","0.71073","MoKα","","0.0581","0.0329","","","0.0616","0.0687","","","","","","1.004","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074523","9.4138","0.0006","17.4475","0.0012","18.0247","0.0012","90","","90","","90","","2960.5","0.3","243","2","243","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C27 H42 N O2 P3 W -","- C27 H42 N O2 P3 W -","- C108 H168 N4 O8 P12 W4 -","4","1","","Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard","C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes","Organometallics","2006","25","25","5839","","10.1021/om060732l","","","0.71073","MoKα","","0.0561","0.0288","","","0.0515","0.0564","","","","","","1.007","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074524","9.4689","0.0004","14.379","0.0006","19.3448","0.0009","90","","90","","90","","2633.9","0.2","243","2","243","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C104 H124 N4 O16 P8 W4 -","- C104 H124 N4 O16 P8 W4 -","- C104 H124 N4 O16 P8 W4 -","1","0.25","","Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard","C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes","Organometallics","2006","25","25","5839","","10.1021/om060732l","","","0.71073","MoKα","","0.0211","0.0184","","","0.0411","0.0421","","","","","","1.032","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074525","11.9538","0.0007","24.4189","0.0017","23.581","0.0016","90","","90","","90","","6883.3","0.8","243","2","243","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C27 H40 N O2 P3 W -","- C27 H40 N O2 P3 W -","- C216 H320 N8 O16 P24 W8 -","8","1","","Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard","C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes","Organometallics","2006","25","25","5839","","10.1021/om060732l","","","0.71073","MoKα","","0.1517","0.0599","","","0.1586","0.1892","","","","","","1.013","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074526","13.9931","0.0007","15.0248","0.0007","21.9786","0.0012","90","","90","","90","","4620.9","0.4","243","2","243","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H30 N O2 P W -","- C25 H30 N O2 P W -","- C200 H240 N8 O16 P8 W8 -","8","1","","Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard","C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes","Organometallics","2006","25","25","5839","","10.1021/om060732l","","","0.71073","MoKα","","0.0496","0.026","","","0.0545","0.0613","","","","","","1.091","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074527","10.027","0.007","12.188","0.008","17.573","0.013","90","","105.791","0.012","90","","2067","3","243","2","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 N2 O4 P2 W -","- C48 H50 N2 O4 P2 W -","- C96 H100 N4 O8 P4 W2 -","2","0.5","","Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard","C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes","Organometallics","2006","25","25","5839","","10.1021/om060732l","","","0.71073","MoKα","","0.0972","0.0723","","","0.1724","0.1871","","","","","","1.058","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074528","12.8372","0.0012","17.6683","0.0016","16.1539","0.0015","90","","103.227","0.002","90","","3566.7","0.6","243","2","243","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H51 N O2 P4 W -","- C30 H51 N O2 P4 W -","- C120 H204 N4 O8 P16 W4 -","4","1","","Kelly, Bryte V.; Tanski, Joseph M.; Janak, Kevin E.; Parkin, Gerard","C−H versus O−H Bond Cleavage Reactions of Bis(2-hydroxyphenyl)phenylamine, PhN(o-C6H4OH)2: Synthesis and Structural Characterization of Mononuclear and Dinuclear Tungsten Aryloxide Complexes Which Exhibit Bidentate, Τridentate, and Tetradentate Coordination Modes","Organometallics","2006","25","25","5839","","10.1021/om060732l","","","0.71073","MoKα","","0.0301","0.0207","","","0.0443","0.0465","","","","","","1.034","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074529","10.9509","0.0004","13.9651","0.0005","28.37","0.0011","90","","90","","90","","4338.6","0.3","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C41 H55 Au N2 O9 S -","- C41 H55 Au N2 O9 S -","- C164 H220 Au4 N8 O36 S4 -","4","1","","de Frémont, Pierre; Stevens, Edwin D.; Eelman, Melanie D.; Fogg, Deryn E.; Nolan, Steven P.","Synthesis and Characterization of Gold(I)N-Heterocyclic Carbene Complexes Bearing Biologically Compatible Moieties","Organometallics","2006","25","24","5824","","10.1021/om060733d","","","0.71073","MoKα","","0.0531","0.0392","","","0.0912","0.0958","","","","","","1.063","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074530","15.4337","0.0009","16.4214","0.0009","15.8384","0.0009","90","","101.566","0.001","90","","3932.6","0.4","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C35 H41 Au Cl3 N3 O3 S -","- C35 H41 Au Cl3 N3 O3 S -","- C140 H164 Au4 Cl12 N12 O12 S4 -","4","1","","de Frémont, Pierre; Stevens, Edwin D.; Eelman, Melanie D.; Fogg, Deryn E.; Nolan, Steven P.","Synthesis and Characterization of Gold(I)N-Heterocyclic Carbene Complexes Bearing Biologically Compatible Moieties","Organometallics","2006","25","24","5824","","10.1021/om060733d","","","0.71073","MoKα","","0.0526","0.0325","","","0.072","0.0813","","","","","","1.016","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074531","10.3467","0.0003","10.9956","0.0001","14.9663","0.0004","96.362","0.001","107.81","","93.639","0.001","1602.55","0.07","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H30 B F4 Fe N P2 -","- C36 H30 B F4 Fe N P2 -","- C72 H60 B2 F8 Fe2 N2 P4 -","2","1","","Wei, Qiao-Hua; Yin, Gang-Qiang; Zhang, Li-Yi; Chen, Zhong-Ning","Rhombic Dodecahedral Ag8M6(M = Cu, Ag, Au) Cluster Complexes of Ferrocenylethynyl Prepared by Reaction of (AgC⋮CFc)nwith [M2(Ph2PNHPh2)2(MeCN)2]2+(M = Cu, Ag, Au)","Organometallics","2006","25","21","4941","","10.1021/om0607346","","","0.71073","MoKα","","0.0986","0.0637","","","0.1554","0.1855","","","","","","1.091","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4074532","16.261","0.005","18.153","0.007","27.627","0.009","87.95","0.011","75.424","0.01","74.763","0.007","7611","5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C145 H127 Ag8 Cl3 Cu6 Fe12 O9 -","- C145 H110 Ag8 Cl3 Cu6 Fe12 O9 -","- C290 H220 Ag16 Cl6 Cu12 Fe24 O18 -","2","1","","Wei, Qiao-Hua; Yin, Gang-Qiang; Zhang, Li-Yi; Chen, Zhong-Ning","Rhombic Dodecahedral Ag8M6(M = Cu, Ag, Au) Cluster Complexes of Ferrocenylethynyl Prepared by Reaction of (AgC⋮CFc)nwith [M2(Ph2PNHPh2)2(MeCN)2]2+(M = Cu, Ag, Au)","Organometallics","2006","25","21","4941","","10.1021/om0607346","","","0.71073","MoKα","","0.1388","0.0867","","","0.2629","0.3029","","","","","","1.078","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074533","15.6539","0.0003","16.7787","0.0002","17.6979","0.0002","79.829","0.001","69.036","0.001","62.276","0.001","3842.09","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H64.5 Ag7 Cl0.5 Fe6 O5.5 -","- C72 H54 Ag7 Cl0.5 Fe6 O5.5 -","- C144 H108 Ag14 Cl Fe12 O11 -","2","1","","Wei, Qiao-Hua; Yin, Gang-Qiang; Zhang, Li-Yi; Chen, Zhong-Ning","Rhombic Dodecahedral Ag8M6(M = Cu, Ag, Au) Cluster Complexes of Ferrocenylethynyl Prepared by Reaction of (AgC⋮CFc)nwith [M2(Ph2PNHPh2)2(MeCN)2]2+(M = Cu, Ag, Au)","Organometallics","2006","25","21","4941","","10.1021/om0607346","","","0.71073","MoKα","","0.1479","0.1053","","","0.2644","0.3126","","","","","","1.292","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074534","15.6892","0.0001","16.7712","0.0003","17.7327","0.0003","81.126","0.001","68.883","0.001","62.678","0.001","3866.69","0.11","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C72 H64.5 Ag4 Au3 Cl0.5 Fe6 O5.5 -","- C72 H54 Ag4 Au3 Cl0.5 Fe6 O5.5 -","- C144 H108 Ag8 Au6 Cl Fe12 O11 -","2","1","","Wei, Qiao-Hua; Yin, Gang-Qiang; Zhang, Li-Yi; Chen, Zhong-Ning","Rhombic Dodecahedral Ag8M6(M = Cu, Ag, Au) Cluster Complexes of Ferrocenylethynyl Prepared by Reaction of (AgC⋮CFc)nwith [M2(Ph2PNHPh2)2(MeCN)2]2+(M = Cu, Ag, Au)","Organometallics","2006","25","21","4941","","10.1021/om0607346","","","0.71073","MoKα","","0.1473","0.0986","","","0.253","0.3117","","","","","","1.228","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074535","14.5558","0.0002","10.5318","0.0002","14.0477","0.0002","90","","101.332","0.0012","90","","2111.51","0.06","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H32 Al Cl2 N Si3 -","- C12 H32 Al Cl2 N Si3 -","- C48 H128 Al4 Cl8 N4 Si12 -","4","1","","Lund, Clinton L.; Schachner, Jörg A.; Quail, J. Wilson; Müller, Jens","[1]Ferrocenophanes, [1]Chromarenophanes, and [1]Vanadarenophanes with Aluminium and Gallium in Bridging Positions","Organometallics","2006","25","24","5817","","10.1021/om060736q","","","0.71073","MoKα","","0.0452","0.034","","","0.0829","0.0886","","","","","","1.024","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074536","9.0703","0.0002","9.1867","0.0002","18.8627","0.0003","79.4549","0.0012","85.2343","0.0011","61.3777","0.001","1356.36","0.05","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H41 Al Fe N Si3 -","- C24 H41 Al Fe N Si3 -","- C48 H82 Al2 Fe2 N2 Si6 -","2","1","","Lund, Clinton L.; Schachner, Jörg A.; Quail, J. Wilson; Müller, Jens","[1]Ferrocenophanes, [1]Chromarenophanes, and [1]Vanadarenophanes with Aluminium and Gallium in Bridging Positions","Organometallics","2006","25","24","5817","","10.1021/om060736q","","","0.71073","MoKα","","0.0739","0.0449","","","0.0942","0.107","","","","","","1.025","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074537","8.9673","0.0001","9.1642","0.0001","19.6077","0.0003","81.9412","0.0011","89.5973","0.0011","63.0923","0.0011","1419.78","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 Al Cr N Si3 -","- C26 H43 Al Cr N Si3 -","- C52 H86 Al2 Cr2 N2 Si6 -","2","1","","Lund, Clinton L.; Schachner, Jörg A.; Quail, J. Wilson; Müller, Jens","[1]Ferrocenophanes, [1]Chromarenophanes, and [1]Vanadarenophanes with Aluminium and Gallium in Bridging Positions","Organometallics","2006","25","24","5817","","10.1021/om060736q","","","0.71073","MoKα","","0.0608","0.0425","","","0.0984","0.1089","","","","","","1.026","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074538","8.9883","0.0002","9.1772","0.0002","19.6458","0.0004","81.3833","0.0014","89.3431","0.0014","63.0831","0.0011","1425.74","0.06","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 Cr Ga N Si3 -","- C26 H43 Cr Ga N Si3 -","- C52 H86 Cr2 Ga2 N2 Si6 -","2","1","","Lund, Clinton L.; Schachner, Jörg A.; Quail, J. Wilson; Müller, Jens","[1]Ferrocenophanes, [1]Chromarenophanes, and [1]Vanadarenophanes with Aluminium and Gallium in Bridging Positions","Organometallics","2006","25","24","5817","","10.1021/om060736q","","","0.71073","MoKα","","0.0776","0.0469","","","0.0932","0.1067","","","","","","1.036","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074539","9.0689","0.0003","9.1768","0.0003","18.9466","0.0006","79.2406","0.0018","85.294","0.002","61.6414","0.0016","1363.14","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H41 Fe Ga N Si3 -","- C24 H41 Fe Ga N Si3 -","- C48 H82 Fe2 Ga2 N2 Si6 -","2","1","","Lund, Clinton L.; Schachner, Jörg A.; Quail, J. Wilson; Müller, Jens","[1]Ferrocenophanes, [1]Chromarenophanes, and [1]Vanadarenophanes with Aluminium and Gallium in Bridging Positions","Organometallics","2006","25","24","5817","","10.1021/om060736q","","","0.71073","MoKα","","0.0623","0.0403","","","0.0805","0.09","","","","","","1.04","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074540","8.9681","0.0003","9.1579","0.0003","19.632","0.0005","82.0285","0.0018","89.204","0.002","63.2623","0.0017","1423.9","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 Al N Si3 V -","- C26 H43 Al N Si3 V -","- C52 H86 Al2 N2 Si6 V2 -","2","1","","Lund, Clinton L.; Schachner, Jörg A.; Quail, J. Wilson; Müller, Jens","[1]Ferrocenophanes, [1]Chromarenophanes, and [1]Vanadarenophanes with Aluminium and Gallium in Bridging Positions","Organometallics","2006","25","24","5817","","10.1021/om060736q","","","0.71073","MoKα","","0.0874","0.051","","","0.1034","0.1205","","","","","","1.027","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074541","8.9868","0.0003","9.1721","0.0003","19.6692","0.0005","81.577","0.002","89.047","0.002","63.324","0.002","1430.88","0.08","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H43 Ga N Si3 V -","- C26 H43 Ga N Si3 V -","- C52 H86 Ga2 N2 Si6 V2 -","2","1","","Lund, Clinton L.; Schachner, Jörg A.; Quail, J. Wilson; Müller, Jens","[1]Ferrocenophanes, [1]Chromarenophanes, and [1]Vanadarenophanes with Aluminium and Gallium in Bridging Positions","Organometallics","2006","25","24","5817","","10.1021/om060736q","","","0.71073","MoKα","","0.061","0.0403","","","0.082","0.0918","","","","","","1.034","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074542","8.9474","0.0013","13.912","0.002","17.268","0.003","90","","90","","90","","2149.5","0.6","153","2","153","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 Cl2 N2 P Pd -","- C23 H23 Cl2 N2 P Pd -","- C92 H92 Cl8 N8 P4 Pd4 -","4","1","","Hahn, F. Ekkehardt; Jahnke, Mareike C.; Pape, Tania","Synthesis of Palladium and Platinum Complexes with Phosphine-Functionalized Benzimidazolin-2-ylidene Ligands","Organometallics","2006","25","25","5927","","10.1021/om060741u","","","0.71073","MoKα","","0.0534","0.0463","","","0.1028","0.1058","","","","","","1.036","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074543","15.896","0.003","16.054","0.003","18.968","0.003","90","","90","","90","","4840.5","1.5","153","2","153","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H27 Cl2 N2 P Pd -","- C25 H27 Cl2 N2 P Pd -","- C200 H216 Cl16 N16 P8 Pd8 -","8","1","","Hahn, F. Ekkehardt; Jahnke, Mareike C.; Pape, Tania","Synthesis of Palladium and Platinum Complexes with Phosphine-Functionalized Benzimidazolin-2-ylidene Ligands","Organometallics","2006","25","25","5927","","10.1021/om060741u","","","0.71073","MoKα","","0.0568","0.0442","","","0.0927","0.0976","","","","","","1.098","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074544","11.3796","0.0003","16.7644","0.0005","22.7228","0.0007","101.099","0.002","95.263","0.002","93.406","0.002","4222.7","0.2","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C42.5 H43 B2 F8 N3 O0.5 P2 Pd -","- C42.5 H42.5 B2 F8 N3 O0.5 P2 Pd -","- C170 H170 B8 F32 N12 O2 P8 Pd4 -","4","2","","Hahn, F. Ekkehardt; Jahnke, Mareike C.; Pape, Tania","Synthesis of Palladium and Platinum Complexes with Phosphine-Functionalized Benzimidazolin-2-ylidene Ligands","Organometallics","2006","25","25","5927","","10.1021/om060741u","","","1.54178","CuKα","","0.0788","0.0568","","","0.1397","0.1474","","","","","","0.92","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074545","11.0069","0.0008","9.2904","0.0007","21.8926","0.0017","90","","97.8284","0.0011","90","","2217.8","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H37 Ir N P -","- C25 H37 Ir N P -","- C100 H148 Ir4 N4 P4 -","4","1","","Cipot, Judy; Vogels, Christopher M.; McDonald, Robert; Westcott, Stephen A.; Stradiotto, Mark","Catalytic Alkene Hydroboration Mediated by Cationic and Formally Zwitterionic Rhodium(I) and Iridium(I) Derivatives of a P,N-Substituted Indene","Organometallics","2006","25","25","5965","","10.1021/om060742m","","","0.71073","MoKα","","0.0219","0.0193","","","0.0492","0.0505","","","","","","1.037","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074546","14.832","0.002","15.494","0.002","16.371","0.003","73.943","0.002","65.716","0.002","81.208","0.002","3292.2","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H21 F18 N3 P Se -","- C30 H21 F18 N3 P Se -","- C120 H84 F72 N12 P4 Se4 -","4","2","","Han, Hua; Johnson, Samuel A.","Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes","Organometallics","2006","25","23","5594","","10.1021/om0607447","","","0.71073","MoKα","","0.1215","0.0606","","","0.1279","0.1515","","","","","","1","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074547","10.025","0.003","10.598","0.003","10.605","0.003","65.584","0.003","86.104","0.003","75.794","0.003","993.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H48 N6 P2 Se2 -","- C42 H48 N6 P2 Se2 -","- C42 H48 N6 P2 Se2 -","1","0.5","","Han, Hua; Johnson, Samuel A.","Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes","Organometallics","2006","25","23","5594","","10.1021/om0607447","","","0.71073","MoKα","","0.0746","0.0563","","","0.106","0.1135","","","","","","1.059","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074548","8.1088","0.0007","11.4874","0.001","28.225","0.003","90","","94.317","0.002","90","","2621.7","0.4","571","2","571","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 N3 P Se -","- C27 H36 N3 P Se -","- C108 H144 N12 P4 Se4 -","4","1","","Han, Hua; Johnson, Samuel A.","Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes","Organometallics","2006","25","23","5594","","10.1021/om0607447","","","0.71073","MoKα","","0.0496","0.0399","","","0.1059","0.1124","","","","","","1.028","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074549","9.0018","0.0016","13.892","0.003","13.947","0.003","68.85","0.002","85.035","0.002","88.038","0.002","1620.5","0.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H28 Al3 F12 N2 P Se -","- C24 H28 Al3 F12 N2 P Se -","- C48 H56 Al6 F24 N4 P2 Se2 -","2","1","","Han, Hua; Johnson, Samuel A.","Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes","Organometallics","2006","25","23","5594","","10.1021/om0607447","","","0.71073","MoKα","","0.0421","0.0366","","","0.0982","0.1013","","","","","","1.063","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074550","13.118","0.002","8.3825","0.0014","28.507","0.005","90","","90.187","0.002","90","","3134.7","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H49 Al3 N2 P Se -","- C27 H40 Al3 N2 P Se -","- C108 H160 Al12 N8 P4 Se4 -","4","1","","Han, Hua; Johnson, Samuel A.","Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes","Organometallics","2006","25","23","5594","","10.1021/om0607447","","","0.71073","MoKα","","0.0491","0.0367","","","0.0987","0.1153","","","","","","1.133","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074551","15.679","0.003","10.954","0.002","8.5522","0.0016","90","","90","","90","","1468.8","0.5","173","2","173","2","","","","","","","","6","P m n 21","P 2ac -2","31","","","","- C23 H41 Al4 N2 P Se -","- C23 H41 Al4 N2 P Se -","- C46 H82 Al8 N4 P2 Se2 -","2","0.5","","Han, Hua; Johnson, Samuel A.","Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes","Organometallics","2006","25","23","5594","","10.1021/om0607447","","","0.71073","MoKα","","0.0645","0.0476","","","0.0919","0.0969","","","","","","1.063","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074552","11.2709","0.0015","11.6947","0.0015","15.652","0.002","68.451","0.001","86.064","0.001","78.921","0.001","1883.1","0.4","446","2","446","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H27 Al2 F18 N3 P -","- C33 H27 Al2 F18 N3 P -","- C66 H54 Al4 F36 N6 P2 -","2","1","","Han, Hua; Johnson, Samuel A.","Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes","Organometallics","2006","25","23","5594","","10.1021/om0607447","","","0.71073","MoKα","","0.0685","0.0601","","","0.165","0.1747","","","","","","1.034","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074553","11.8225","0.0013","14.7615","0.0016","33.447","0.004","90","","90","","90","","5837.1","1.1","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H39 Al3 N3 P -","- C27 H39 Al3 N3 P -","- C216 H312 Al24 N24 P8 -","8","1","","Han, Hua; Johnson, Samuel A.","Ligand Design for the Assembly of Polynuclear Complexes: Syntheses and Structures of Trinuclear and Tetranuclear Aluminum Alkyl Complexes Bearing Tripodal Diamidoselenophosphinito Ligands and a Comparison to Related Tripodal Triamidophosphine Complexes","Organometallics","2006","25","23","5594","","10.1021/om0607447","","","0.71073","MoKα","","0.0555","0.0446","","","0.1079","0.119","","","","","","1.112","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074554","7.941","0.009","9.115","0.012","16.865","0.017","81.037","0.01","88.203","0.01","69.624","0.01","1130","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 N3 O Pt -","- C22 H29 N3 O Pt -","- C44 H58 N6 O2 Pt2 -","2","1","","Halder, Sarmistha; Drew, Michael G. B.; Bhattacharya, Samaresh","Unusual Transformation of Trialkylamines Mediated by Platinum","Organometallics","2006","25","26","5969","","10.1021/om0607494","","","0.71073","MoKα","","0.0444","0.0367","","","0.0761","0.0784","","","","","","1.067","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074555","7.965","0.009","16.941","0.017","17.97","0.02","90","","90","","90","","2425","5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N3 O Pt -","- C24 H33 N3 O Pt -","- C96 H132 N12 O4 Pt4 -","4","1","","Halder, Sarmistha; Drew, Michael G. B.; Bhattacharya, Samaresh","Unusual Transformation of Trialkylamines Mediated by Platinum","Organometallics","2006","25","26","5969","","10.1021/om0607494","","","0.71073","MoKα","","0.1534","0.1037","","","0.1374","0.1529","","","","","","1.168","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074556","14.0726","0.0008","10.7833","0.0007","13.0568","0.0009","90","","110.112","0.004","90","","1860.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Fe2 O -","- C25 H18 Fe2 O -","- C100 H72 Fe8 O4 -","4","1","","Xu, Guo-Lin; Xi, Bin; Updegraff, James B.; Protasiewicz, John D.; Ren, Tong","1,6-Bis(ferrocenyl)-1,3,5-hexatriyne: Novel Preparation and Structural Study","Organometallics","2006","25","22","5213","","10.1021/om0607550","","","0.71073","MoKα","","0.0512","0.0337","","","0.0749","0.0823","","","","","","1.007","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074557","20.853","0.0008","7.4096","0.0002","14.3157","0.0005","90","","103.641","0.003","90","","2149.56","0.13","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 Br2 Fe2 -","- C26 H18 Br2 Fe2 -","- C104 H72 Br8 Fe8 -","4","0.5","","Xu, Guo-Lin; Xi, Bin; Updegraff, James B.; Protasiewicz, John D.; Ren, Tong","1,6-Bis(ferrocenyl)-1,3,5-hexatriyne: Novel Preparation and Structural Study","Organometallics","2006","25","22","5213","","10.1021/om0607550","","","0.71073","MoKα","","0.0267","0.0222","","","0.0558","0.0576","","","","","","1.013","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074558","7.6034","0.0002","10.9464","0.0003","11.6264","0.0003","90","","101.823","0.001","90","","947.13","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H18 Fe2 -","- C26 H18 Fe2 -","- C52 H36 Fe4 -","2","0.5","","Xu, Guo-Lin; Xi, Bin; Updegraff, James B.; Protasiewicz, John D.; Ren, Tong","1,6-Bis(ferrocenyl)-1,3,5-hexatriyne: Novel Preparation and Structural Study","Organometallics","2006","25","22","5213","","10.1021/om0607550","","","0.71073","MoKα","","0.0207","0.0199","","","0.0561","0.0568","","","","","","1.013","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074559","26.558","0.003","13.5604","0.0014","20.873","0.002","90","","109.646","0.002","90","","7079.6","1.3","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C77 H103 N4 Ni2 -","- C77 H103 N4 Ni2 -","- C308 H412 N16 Ni8 -","4","0.5","","Bai, Guangcai; Wei, Pingrong; Das, Anjan; Stephan, Douglas W.","Mono- and Bimetallic (NacNac)Ni Cyclopentadienyl Complexes†","Organometallics","2006","25","25","5870","","10.1021/om060757k","","","0.71073","MoKα","","0.1757","0.0844","","","0.2219","0.2955","","","","","","0.947","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074560","11.0643","0.001","11.9701","0.0011","21.7303","0.0019","90","","90","","90","","2878","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H41 Cl N3 O2 Rh -","- C27 H32 Cl N3 O2 Rh -","- C108 H128 Cl4 N12 O8 Rh4 -","4","1","","Ito, Jun-ichi; Miyakawa, Takeshi; Nishiyama, Hisao","Carbon−Carbon Bond Formation on a Bis(oxazolinyl)phenyl−Rhodium Complex in a Reduction and Oxidative Addition Sequence","Organometallics","2006","25","22","5216","","10.1021/om0607595","","","0.71073","MoKα","","0.0692","0.0545","","","0.1034","0.108","","","","","","1.029","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074561","10.064","0.004","11.05","0.004","23.182","0.009","90","","100.009","0.009","90","","2538.8","1.7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 Cl N2 O5 Rh -","- C23 H34 Cl N2 O5 Rh -","- C92 H136 Cl4 N8 O20 Rh4 -","4","1","","Ito, Jun-ichi; Miyakawa, Takeshi; Nishiyama, Hisao","Carbon−Carbon Bond Formation on a Bis(oxazolinyl)phenyl−Rhodium Complex in a Reduction and Oxidative Addition Sequence","Organometallics","2006","25","22","5216","","10.1021/om0607595","","","0.71073","MoKα","","0.0475","0.0386","","","0.0895","0.0935","","","","","","1.081","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074562","14.195","0.009","14.417","0.008","17.929","0.011","90","","113.21","0.008","90","","3372","4","193","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H44 Ir2 N2 O4 S2 -","- C34 H44 Ir2 N2 O4 S2 -","- C136 H176 Ir8 N8 O16 S8 -","4","1","","Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao","A Sulfonylimido-Bridged Coordinatively Unsaturated Diiridium Complex: Intramolecular C−H Bond Activation Promoted by a Weak Acid","Organometallics","2006","25","25","5847","","10.1021/om060777m","","","0.7107","MoKα","","","0.04","","","","0.105","","","","","","1.008","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074563","15.028","0.003","15.56","0.003","18.069","0.003","69.227","0.005","86.128","0.007","83.76","0.007","3925.2","1.3","193.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H45 F3 Ir2 N2 O7 S3 -","- C35 H45 F3 Ir2 N2 O7 S3 -","- C140 H180 F12 Ir8 N8 O28 S12 -","4","2","","Ishiwata, Koji; Kuwata, Shigeki; Ikariya, Takao","A Sulfonylimido-Bridged Coordinatively Unsaturated Diiridium Complex: Intramolecular C−H Bond Activation Promoted by a Weak Acid","Organometallics","2006","25","25","5847","","10.1021/om060777m","","","0.7107","MoKα","","","0.043","","","","0.119","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074564","11.4072","0.0003","11.7698","0.0003","23.2188","0.0005","90","","90","","90","","3117.37","0.13","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C30 H32 F6 N3 Pd S Sb -","- C30 H32 F6 N3 Pd S Sb -","- C120 H128 F24 N12 Pd4 S4 Sb4 -","4","1","","Ros, Abel; Monge, David; Alcarazo, Manuel; Álvarez, Eleuterio; Lassaletta, José M.; Fernández, Rosario","Synthesis, Structure, and Applications ofN-Dialkylamino-N‘-alkylimidazol-2-ylidenes as a New Type of NHC Ligands§","Organometallics","2006","25","26","6039","","10.1021/om060788f","","","0.71073","MoKα","","0.0142","0.0137","","","0.035","0.0352","","","","","","1.102","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074565","8.512","0.005","15.229","0.005","18.541","0.005","90","","90","","90","","2403.5","1.7","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 Eu O -","- C24 H40 Eu O -","- C96 H160 Eu4 O4 -","4","1","","Moore, Jennifer A.; Cowley, Alan H.; Gordon, John C.","Mediating Oxidation States in Decamethyleuropocene Complexes. The Role of the Diazabutadiene Fragment","Organometallics","2006","25","22","5207","","10.1021/om060793j","","","0.71073","MoKα","","0.078","0.0489","","","0.1024","0.1134","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074566","16.841","0.005","22.372","0.005","15.725","0.005","90","","90","","90","","5925","3","153","2","153","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C30 H50 Eu N2 -","- C30 H50 Eu N2 -","- C240 H400 Eu8 N16 -","8","1","","Moore, Jennifer A.; Cowley, Alan H.; Gordon, John C.","Mediating Oxidation States in Decamethyleuropocene Complexes. The Role of the Diazabutadiene Fragment","Organometallics","2006","25","22","5207","","10.1021/om060793j","","","0.71069","MoKα","","0.0742","0.0367","","","0.0782","0.0938","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074567","36.315","0.005","9.444","0.005","22.422","0.005","90","","107.777","0.005","90","","7323","4","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H80 Eu2 F20 N4 -","- C72 H72 Eu2 F20 N4 -","- C288 H288 Eu8 F80 N16 -","4","0.5","","Moore, Jennifer A.; Cowley, Alan H.; Gordon, John C.","Mediating Oxidation States in Decamethyleuropocene Complexes. The Role of the Diazabutadiene Fragment","Organometallics","2006","25","22","5207","","10.1021/om060793j","","","0.71069","MoKα","","0.0654","0.0426","","","0.1159","0.1279","","","","","","1.085","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074568","14.92","0.003","15.693","0.004","16.648","0.004","73.82","0.03","87.06","0.03","62.93","0.03","3320.4","1.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H100 Al2 Cl2 O4 S2 Zr -","- C63 H100 Al2 Cl2 O4 S2 Zr -","- C126 H200 Al4 Cl4 O8 S4 Zr2 -","2","1","","Wiśniewska, Dorota; Janas, Zofia; Sobota, Piotr; Jerzykiewicz, Lucjan B.","Dimethyl Group IV Metal Complexes of the OSO-Type Ligand Bearing AlMe2Moieties","Organometallics","2006","25","26","6166","","10.1021/om0608051","","","0.71073","MoKα","","0.1308","0.0727","","","0.1241","0.1409","","","","","","1.091","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074569","14.908","0.006","15.667","0.006","16.645","0.006","74.06","0.09","86.71","0.09","62.8","0.09","3314","4","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H100 Al2 Cl2 Hf O4 S2 -","- C63 H100 Al2 Cl2 Hf O4 S2 -","- C126 H200 Al4 Cl4 Hf2 O8 S4 -","2","1","","Wiśniewska, Dorota; Janas, Zofia; Sobota, Piotr; Jerzykiewicz, Lucjan B.","Dimethyl Group IV Metal Complexes of the OSO-Type Ligand Bearing AlMe2Moieties","Organometallics","2006","25","26","6166","","10.1021/om0608051","","","0.71073","MoKα","","0.1009","0.0681","","","0.1466","0.1577","","","","","","1.027","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074570","13.647","0.003","7.1668","0.0015","18.496","0.004","90","","110.722","0.004","90","","1692","0.6","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C8 H25 B9 N2 O Ti -","- C8 H25 B9 N2 O Ti -","- C32 H100 B36 N8 O4 Ti4 -","4","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Guanylation of Amines Catalyzed by a Half-Sandwich Titanacarborane Amide Complex","Organometallics","2006","25","23","5515","","10.1021/om060811x","","","0.71073","MoKα","","0.0523","0.0415","","","0.1057","0.1157","","","","","","0.934","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074571","9.799","0.002","11.521","0.002","14.453","0.003","100.07","0.03","105.59","0.03","104.93","0.03","1465.4","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H47 B9 N4 O Ti -","- C21 H47 B9 N4 O Ti -","- C42 H94 B18 N8 O2 Ti2 -","2","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Guanylation of Amines Catalyzed by a Half-Sandwich Titanacarborane Amide Complex","Organometallics","2006","25","23","5515","","10.1021/om060811x","","","0.71073","MoKα","","0.0489","0.0474","","","0.1442","0.1468","","","","","","1.067","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074572","16.411","0.008","10.432","0.004","14.034","0.007","90","","122.141","0.016","90","","2034.4","1.7","298.1","","","","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C23 H32 Fe -","- C23 H32 Fe -","- C92 H128 Fe4 -","4","1","","Ogasawara, Masamichi; Watanabe, Susumu; Fan, Liyan; Nakajima, Kiyohiko; Takahashi, Tamotsu","Kinetic Resolution of Planar-Chiral Ferrocenes by Molybdenum-Catalyzed Enantioselective Metathesis","Organometallics","2006","25","22","5201","","10.1021/om0608298","","","0.71075","MoKα","","","0.0486","","","","0.167","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074573","9.94","0.001","11.8053","0.0012","21.397","0.002","90","","90","","90","","2510.8","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 F23 O3 P2 Pt S -","- C11 H6 F23 O3 P2 Pt S -","- C44 H24 F92 O12 P8 Pt4 S4 -","4","1","","Butikofer, Jeffrey L.; Parson, Thomas G.; Roddick, Dean M.","Adduct Studies and Reactivity oftrans-[(C2F5)2MeP]2Pt(Me)X (X = O2CCF3, OTF, OSO2F)","Organometallics","2006","25","26","6108","","10.1021/om060847p","","","0.71073","MoKα","","0.0301","0.0289","","","0.0687","0.069","","","","","","1.026","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074574","18.5682","0.0006","10.8947","0.0004","19.3594","0.0008","90","","97.332","0.001","90","","3884.3","0.2","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C44 H40 N4 P2 Ru S2 -","- C44 H40 N4 P2 Ru S2 -","- C176 H160 N16 P8 Ru4 S8 -","4","1","","Dewhurst, Rian D.; Hansen, Andrew R.; Hill, Anthony F.; Smith, Matthew K.","Templated Synthesis and Intact Coordination of a Diorganotriselenane: [RuCl2(PPh3){κ3-Se,N,N‘-Se(mtSe)2}] (mtSe= selenomethimazolyl)","Organometallics","2006","25","25","5843","","10.1021/om0608511","","","0.71073","MoKα","","0.066","0.0423","","","0.0993","0.1117","","","","","","1.011","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074575","11.579","0.002","17.835","0.004","17.212","0.003","90","","101.3","0.03","90","","3485.6","1.2","200","2","200","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 Cl6 N4 P Ru Se3 -","- C28 H29 Cl6 N4 P Ru Se3 -","- C112 H116 Cl24 N16 P4 Ru4 Se12 -","4","1","","Dewhurst, Rian D.; Hansen, Andrew R.; Hill, Anthony F.; Smith, Matthew K.","Templated Synthesis and Intact Coordination of a Diorganotriselenane: [RuCl2(PPh3){κ3-Se,N,N‘-Se(mtSe)2}] (mtSe= selenomethimazolyl)","Organometallics","2006","25","25","5843","","10.1021/om0608511","","","0.71073","MoKα","","0.0644","0.0494","","","0.1379","0.1587","","","","","","0.869","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074576","16.48","0.008","8.143","0.004","16.836","0.008","90","","111.954","0.007","90","","2095.5","1.8","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 Cl Ir N2 -","- C23 H28 Cl Ir N2 -","- C92 H112 Cl4 Ir4 N8 -","4","1","","Davies, David L.; Donald, Steven M. A.; Al-Duaij, Omar; Fawcett, John; Little, Craig; Macgregor, Stuart A.","N−H versus C−H Activation of a Pyrrole Imine at {Cp*Ir}: A Computational and Experimental Study","Organometallics","2006","25","26","5976","","10.1021/om060863m","","","0.71073","MoKα","","0.0321","0.0296","","","0.0659","0.067","","","","","","1.026","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4074577","37.618","0.004","8.1812","0.0009","15.3211","0.0017","90","","112.402","0.002","90","","4359.4","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H30 Cl Ir N2 -","- C24 H30 Cl Ir N2 -","- C192 H240 Cl8 Ir8 N16 -","8","1","","Davies, David L.; Donald, Steven M. A.; Al-Duaij, Omar; Fawcett, John; Little, Craig; Macgregor, Stuart A.","N−H versus C−H Activation of a Pyrrole Imine at {Cp*Ir}: A Computational and Experimental Study","Organometallics","2006","25","26","5976","","10.1021/om060863m","","","0.71073","MoKα","","0.0373","0.0323","","","0.0741","0.0762","","","","","","1.013","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4074578","8.6825","0.0005","11.6053","0.0007","17.119","0.001","90","","90","","90","","1724.96","0.18","223","2","223","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H21 Cl2 N Ru S2 -","- C13 H21 Cl2 N Ru S2 -","- C52 H84 Cl8 N4 Ru4 S8 -","4","1","","Kuan, Seah Ling; Tay, Elaine Phuay Leng; Leong, Weng Kee; Goh, Lai Yoong; Lin, Ching Yeh; Gill, Peter M. W.; Webster, Richard D.","Highly Oxidized Ruthenium Organometallic Compounds. The Synthesis and One-Electron Electrochemical Oxidation of [Cp*RuIVCl2(S2CR)] (Cp* = η5-C5Me5, R = NMe2, NEt2, OiPr)","Organometallics","2006","25","26","6134","","10.1021/om060866z","","","0.71073","MoKα","","0.0631","0.0444","","","0.0688","0.0734","","","","","","0.869","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074579","9.3012","0.0004","12.2982","0.0005","28.5968","0.0013","90","","90","","90","","3271.1","0.2","223","2","223","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H33 F12 N5 P2 Ru S2 -","- C21 H33 F12 N5 P2 Ru S2 -","- C84 H132 F48 N20 P8 Ru4 S8 -","4","1","","Kuan, Seah Ling; Tay, Elaine Phuay Leng; Leong, Weng Kee; Goh, Lai Yoong; Lin, Ching Yeh; Gill, Peter M. W.; Webster, Richard D.","Highly Oxidized Ruthenium Organometallic Compounds. The Synthesis and One-Electron Electrochemical Oxidation of [Cp*RuIVCl2(S2CR)] (Cp* = η5-C5Me5, R = NMe2, NEt2, OiPr)","Organometallics","2006","25","26","6134","","10.1021/om060866z","","","0.71073","MoKα","","0.0589","0.052","","","0.1153","0.1186","","","","","","1.097","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074580","8.2628","0.0005","11.0759","0.0007","26.4815","0.0016","90","","96.586","0.001","90","","2407.5","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 Cl7 N Ru S2 Sb -","- C13 H21 Cl7 N Ru S2 Sb -","- C52 H84 Cl28 N4 Ru4 S8 Sb4 -","4","1","","Kuan, Seah Ling; Tay, Elaine Phuay Leng; Leong, Weng Kee; Goh, Lai Yoong; Lin, Ching Yeh; Gill, Peter M. W.; Webster, Richard D.","Highly Oxidized Ruthenium Organometallic Compounds. The Synthesis and One-Electron Electrochemical Oxidation of [Cp*RuIVCl2(S2CR)] (Cp* = η5-C5Me5, R = NMe2, NEt2, OiPr)","Organometallics","2006","25","26","6134","","10.1021/om060866z","","","0.71073","MoKα","","0.0969","0.0893","","","0.1903","0.194","","","","","","1.315","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074581","11.4245","0.0004","16.9079","0.0005","13.866","0.0003","90","","92.431","0.002","90","","2676.01","0.14","150.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","complex 2a","complex 2a","","- C30 H36 Fe N2 O Si -","- C30 H36 Fe N2 O Si -","- C120 H144 Fe4 N8 O4 Si4 -","4","1","","Iwata, Masatoshi; Okazaki, Masaaki; Tobita, Hiromi","Insertion of Pyridine into an Iron−Silicon Bond and Photochemical Conversion of the Insertion Product Cp*(OC)Fe{η3(C,C,C)-C5H5NSiMe2NPh2} to a Sandwich Compound","Organometallics","2006","25","26","6115","","10.1021/om060873n","","x-ray","0.7107","MoKα","","","0.033","","","","0.1193","","","","","","0.988","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074582","17.1694","0.0006","9.0939","0.0004","18.5947","0.0006","90","","109.099","0.002","90","","2743.5","0.18","150.2","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","complex 3a","complex 3a","","- C30 H36 Fe N2 O Si -","- C30 H36 Fe N2 O Si -","- C120 H144 Fe4 N8 O4 Si4 -","4","1","","Iwata, Masatoshi; Okazaki, Masaaki; Tobita, Hiromi","Insertion of Pyridine into an Iron−Silicon Bond and Photochemical Conversion of the Insertion Product Cp*(OC)Fe{η3(C,C,C)-C5H5NSiMe2NPh2} to a Sandwich Compound","Organometallics","2006","25","26","6115","","10.1021/om060873n","","x-ray","0.7107","MoKα","","","0.0515","","","","0.132","","","","","","1.412","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074583","40.598","0.001","8.7016","0.0001","15.1845","0.0002","90","","107.912","0.002","90","","5104.19","0.16","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","complex4j","complex4j","","- C27 H35 N O Ru Si -","- C27 H34 N O Ru Si -","- C216 H272 N8 O8 Ru8 Si8 -","8","1","","Iwata, Masatoshi; Okazaki, Masaaki; Tobita, Hiromi","Insertion of Pyridine into an Iron−Silicon Bond and Photochemical Conversion of the Insertion Product Cp*(OC)Fe{η3(C,C,C)-C5H5NSiMe2NPh2} to a Sandwich Compound","Organometallics","2006","25","26","6115","","10.1021/om060873n","","x-ray","0.71069","MoKα","","0.0802","0.062","","","0.1702","0.1983","","","","","","1.134","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074584","16.1381","0.0004","10.0021","0.0004","16.4567","0.0007","90","","100.529","0.001","90","","2611.63","0.17","150.2","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","complex 5a","complex 5a","","- C29 H36 Fe N2 Si -","- C29 H36 Fe N2 Si -","- C116 H144 Fe4 N8 Si4 -","4","1","","Iwata, Masatoshi; Okazaki, Masaaki; Tobita, Hiromi","Insertion of Pyridine into an Iron−Silicon Bond and Photochemical Conversion of the Insertion Product Cp*(OC)Fe{η3(C,C,C)-C5H5NSiMe2NPh2} to a Sandwich Compound","Organometallics","2006","25","26","6115","","10.1021/om060873n","","x-ray","0.7107","MoKα","","","0.0333","","","","0.1213","","","","","","1.023","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074585","8.0597","0.0004","13.7541","0.0006","12.0198","0.0005","90","","105.76","0.001","90","","1282.35","0.1","218","2","218","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H41 N4 P2 Pt -","- C22 H41 N4 P2 Pt -","- C44 H82 N8 P4 Pt2 -","2","1","","Grotjahn, Douglas B.; Gong, Yi; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L.","Bifunctional Imidazolylphosphine Ligands as Hydrogen Bond Donors Promote N−H and O−H Activation on Platinum","Organometallics","2006","25","24","5693","","10.1021/om060880b","","","0.71073","MoKα","","0.0202","0.0196","","","0.0461","0.0463","","","","","","0.819","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074586","15.938","0.002","11.065","0.0015","16.233","0.002","90","","110.883","0.002","90","","2674.7","0.6","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H44 N4 O P2 Pt -","- C22 H44 N4 O P2 Pt -","- C88 H176 N16 O4 P8 Pt4 -","4","2","","Grotjahn, Douglas B.; Gong, Yi; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L.","Bifunctional Imidazolylphosphine Ligands as Hydrogen Bond Donors Promote N−H and O−H Activation on Platinum","Organometallics","2006","25","24","5693","","10.1021/om060880b","","","0.71073","MoKα","","0.0273","0.0245","","","0.0531","0.0547","","","","","","0.836","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074587","12.698","0.004","13.177","0.005","19.064","0.006","90.973","0.007","93.076","0.007","95.273","0.006","3171","1.9","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H38 B F24 N5 Pt -","- C62 H38 B F24 N5 Pt -","- C124 H76 B2 F48 N10 Pt2 -","2","1","","Zhao, Shu-Bin; Wu, Gang; Wang, Suning","Impact of Steric Blocking on Diastereoselective C−H Activation of Ethylbenzene by Cationic Platinum(II) Complexes with 7-Azaindolyl Derivative Ligands","Organometallics","2006","25","26","5979","","10.1021/om0608861","","","0.71073","MoKα","","0.251","0.0761","","","0.1392","0.1897","","","","","","0.916","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074588","12.4783","0.0012","13.0894","0.0012","18.1842","0.0018","79.26","0.002","76.753","0.002","86.854","0.002","2840.2","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H36 B F24 N5 Pt -","- C57 H31 B F24 N5 Pt -","- C114 H62 B2 F48 N10 Pt2 -","2","1","","Zhao, Shu-Bin; Wu, Gang; Wang, Suning","Impact of Steric Blocking on Diastereoselective C−H Activation of Ethylbenzene by Cationic Platinum(II) Complexes with 7-Azaindolyl Derivative Ligands","Organometallics","2006","25","26","5979","","10.1021/om0608861","","","0.71073","MoKα","","0.1795","0.0959","","","0.2318","0.2668","","","","","","0.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074589","16.442","0.0017","18.7653","0.0019","21.65","0.002","65.647","0.002","85.831","0.002","89.751","0.002","6067","1","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H40 B F24 N4 Pt -","- C60 H35 B F24 N4 Pt -","- C240 H140 B4 F96 N16 Pt4 -","4","2","","Zhao, Shu-Bin; Wu, Gang; Wang, Suning","Impact of Steric Blocking on Diastereoselective C−H Activation of Ethylbenzene by Cationic Platinum(II) Complexes with 7-Azaindolyl Derivative Ligands","Organometallics","2006","25","26","5979","","10.1021/om0608861","","","0.71073","MoKα","","0.2342","0.077","","","0.137","0.1612","","","","","","0.718","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074590","13.773","0.003","20.799","0.005","17.532","0.005","90","","103.832","0.005","90","","4877","2","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C54 H62 B Cl O P Rh S -","- C54 H62 B Cl O P Rh S -","- C216 H248 B4 Cl4 O4 P4 Rh4 S4 -","4","1","","Oakley, Simon R.; Parker, Kyle D.; Emslie, David J. H.; Vargas-Baca, Ignacio; Robertson, Craig M.; Harrington, Laura E.; Britten, James F.","Synthesis of a Heterobimetallic Rhodium−Iron Complex Containing an η3-Interaction between Rhodium and the B−Cipso−CorthoUnit of a Triarylborane","Organometallics","2006","25","25","5835","","10.1021/om060903m","","","0.71073","MoKα","","0.0536","0.0379","","","0.1005","0.119","","","","","","1.116","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074591","13.9568","0.0009","13.7903","0.001","27.7139","0.0018","90","","97.354","0.004","90","","5290.2","0.6","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C61.51 H53 B Fe O3 P Rh S -","- C61.5 H53 B Fe O3 P Rh S -","- C246 H212 B4 Fe4 O12 P4 Rh4 S4 -","4","1","","Oakley, Simon R.; Parker, Kyle D.; Emslie, David J. H.; Vargas-Baca, Ignacio; Robertson, Craig M.; Harrington, Laura E.; Britten, James F.","Synthesis of a Heterobimetallic Rhodium−Iron Complex Containing an η3-Interaction between Rhodium and the B−Cipso−CorthoUnit of a Triarylborane","Organometallics","2006","25","25","5835","","10.1021/om060903m","","","0.71073","MoKα","","0.2724","0.0924","","","0.1883","0.2801","","","","","","1.004","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074592","10.809","0.0002","18.543","0.0007","22.735","0.0008","90","","97.814","0.0002","90","","4514.5","0.2","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,4-disilabenzene dianion","","- C38 H78 Li2 O2 Si4 -","- C38 H78 Li2 O2 Si4 -","- C152 H312 Li8 O8 Si16 -","4","1","","Nakata, Norio; Oikawa, Toru; Matsumoto, Takeshi; Kabe, Yoshio; Sekiguchi, Akira","Dilithium 1,4-Disilacyclohexa-2,5-diene-1,4-diide by the Reduction of 1,4-Disilabicyclo[2.2.0]hexa-2,5-diene: Synthesis and Characterization","Organometallics","2006","25","25","5850","","10.1021/om0609261","","","0.7107","MoKα","","0.0539","0.0499","","","0.1343","0.1382","","","","","","1.06","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074593","13.877","0.01","20.404","0.01","7.706","0.005","90","","116.153","0.014","90","","1959","2","233","2","233","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C21 H11 B F10 -","- C21 H11 B F10 -","- C84 H44 B4 F40 -","4","1","","Cummings, Sarah A.; Iimura, Masanori; Harlan, C. Jeff; Kwaan, Rebecca J.; Trieu, Isabelle Vu; Norton, Jack R.; Bridgewater, Brian M.; Jäkle, Frieder; Sundararaman, Anand; Tilset, Mats","An Estimate of the Reduction Potential of B(C6F5)3from Electrochemical Measurements on Related Mesityl Boranes","Organometallics","2006","25","7","1565","","10.1021/om050003q","","","0.71073","MoKα","","0.0423","0.0393","","","0.1089","0.1117","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074594","10.6441","0.0007","10.6441","0.0007","18.9672","0.0019","90","","90","","90","","2148.9","0.3","173","2","173","2","","","","","","","","5","P 43","P 4cw","78","","","","- C19 H31 Cl P2 Pt -","- C19 H31 Cl P2 Pt -","- C76 H124 Cl4 P8 Pt4 -","4","1","","Scriban, Corina; Wicht, Denyce K.; Glueck, David S.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.","Platinum(II) Phosphido Complexes as Metalloligands. Structural and Spectroscopic Consequences of Conversion from Terminal to Bridging Coordination","Organometallics","2006","25","14","3370","","10.1021/om050149p","","","0.71073","MoKα","","0.0819","0.0804","","","0.1925","0.1935","","","","","","1.124","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074595","9.7296","0.0006","15.4985","0.0009","19.1019","0.0012","90","","90","","90","","2880.5","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 P3 Pt -","- C29 H42 P3 Pt -","- C116 H168 P12 Pt4 -","4","1","","Scriban, Corina; Wicht, Denyce K.; Glueck, David S.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.","Platinum(II) Phosphido Complexes as Metalloligands. Structural and Spectroscopic Consequences of Conversion from Terminal to Bridging Coordination","Organometallics","2006","25","14","3370","","10.1021/om050149p","","","0.71073","MoKα","","0.0875","0.0607","","","0.1455","0.1552","","","","","","1.002","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074596","13.001","0.006","13.676","0.007","18.526","0.009","82.144","0.007","71.255","0.007","61.738","0.006","2747","2","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C51 H80 F3 O3.5 P5 Pt2 S -","- C51 H80 F3 O3.5 P5 Pt2 S -","- C102 H160 F6 O7 P10 Pt4 S2 -","2","2","","Scriban, Corina; Wicht, Denyce K.; Glueck, David S.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.","Platinum(II) Phosphido Complexes as Metalloligands. Structural and Spectroscopic Consequences of Conversion from Terminal to Bridging Coordination","Organometallics","2006","25","14","3370","","10.1021/om050149p","","","0.71073","MoKα","","0.0778","0.063","","","0.1462","0.1526","","","","","","1.038","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074597","9.446","0.002","14.982","0.003","25.135","0.006","90","","97.384","0.004","90","","3527.6","1.3","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H43 O2 P3 Pt -","- C37 H43 O2 P3 Pt -","- C148 H172 O8 P12 Pt4 -","4","1","","Scriban, Corina; Wicht, Denyce K.; Glueck, David S.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.","Platinum(II) Phosphido Complexes as Metalloligands. Structural and Spectroscopic Consequences of Conversion from Terminal to Bridging Coordination","Organometallics","2006","25","14","3370","","10.1021/om050149p","","","0.71073","MoKα","","0.0436","0.0337","","","0.085","0.0899","","","","","","1.001","","","","has coordinates","178634","2020-10-21","18:00:00",""
"4074598","10.2921","0.0006","18.1227","0.0011","13.8423","0.0008","90","","103.385","0.001","90","","2511.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 Mo N3 Si2 -","- C22 H35 Mo N3 Si2 -","- C88 H140 Mo4 N12 Si8 -","4","1","","Ison, Elon A.; Abboud, Khalil A.; Boncella, James M.","Synthesis and Reactivity of Molybdenum Imido Diamido Metallacyclopentenes and Metallacyclopentadienes and the Mechanism of Ethylene Exchange with Metallacyclopentane Complexes","Organometallics","2006","25","7","1557","","10.1021/om050280x","","","0.71073","MoKα","","0.0384","0.0307","","","0.0733","0.0767","","","","","","1.054","","","","has coordinates,has disorder","178634","2020-10-21","18:00:00",""
"4074599","11.2646","0.0005","9.7968","0.0004","25.675","0.001","90","","92.659","0.001","90","","2830.4","0.2","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H37 Mo N3 Si2 -","- C28 H37 Mo N3 Si2 -","- C112 H148 Mo4 N12 Si8 -","4","1","","Ison, Elon A.; Abboud, Khalil A.; Boncella, James M.","Synthesis and Reactivity of Molybdenum Imido Diamido Metallacyclopentenes and Metallacyclopentadienes and the Mechanism of Ethylene Exchange with Metallacyclopentane Complexes","Organometallics","2006","25","7","1557","","10.1021/om050280x","","","0.71073","MoKα","","0.0361","0.0303","","","0.0723","0.0766","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074600","25.544","0.001","18.742","0.0008","27.641","0.001","90","","90","","90","","13233","0.9","193","2","193","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C34 H39 Mo N3 Si2 -","- C34 H39 Mo N3 Si2 -","- C544 H624 Mo16 N48 Si32 -","16","2","","Ison, Elon A.; Abboud, Khalil A.; Boncella, James M.","Synthesis and Reactivity of Molybdenum Imido Diamido Metallacyclopentenes and Metallacyclopentadienes and the Mechanism of Ethylene Exchange with Metallacyclopentane Complexes","Organometallics","2006","25","7","1557","","10.1021/om050280x","","","0.71073","MoKα","","0.0681","0.0355","","","0.0687","0.0836","","","","","","1.076","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074601","16.7957","0.0013","7.112","0.0005","12.4481","0.0009","90","","109.797","0.002","90","","1399.06","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 Cl3 P Ti -","- C12 H12 Cl3 P Ti -","- C48 H48 Cl12 P4 Ti4 -","4","1","","Ahn, Yi Joon; Rubio, Ramel J.; Hollis, T. Keith; Tham, Fook S.; Donnadieu, Bruno","Slip‒Inversion‒Slip Mechanism of Phosphametallocene Isomerization. Spectroscopic Characterization of an (η1-Phospholyl)titanium Complex. Synthesis and Structures of Chiral Mono(phospholyl)titanium Complexes","Organometallics","2006","25","5","1079","1083","10.1021/om050357h","","","0.71073","MoKα","","0.0307","0.027","","","0.0729","0.075","","","","","","1.032","","","","has coordinates","209812","2020-10-21","18:00:00",""
"4074602","6.7877","0.0009","6.9647","0.0009","12.9311","0.0017","102.39","0.002","92.824","0.002","109.062","0.002","559.6","0.13","218","2","218","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H10 Cl3 P Ti -","- C8 H10 Cl3 P Ti -","- C16 H20 Cl6 P2 Ti2 -","2","1","","Ahn, Yi Joon; Rubio, Ramel J.; Hollis, T. Keith; Tham, Fook S.; Donnadieu, Bruno","Slip‒Inversion‒Slip Mechanism of Phosphametallocene Isomerization. Spectroscopic Characterization of an (η1-Phospholyl)titanium Complex. Synthesis and Structures of Chiral Mono(phospholyl)titanium Complexes","Organometallics","2006","25","5","1079","1083","10.1021/om050357h","","","0.71073","MoKα","","0.0296","0.0281","","","0.0768","0.0783","","","","","","1.019","","","","has coordinates","209812","2020-10-21","18:00:00",""
"4074603","6.1801","0.0003","11.281","0.0008","19.654","0.002","90","","90","","90","","1370.23","0.18","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H22 O4 S -","- C11 H22 O4 S -","- C44 H88 O16 S4 -","4","1","","Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich","Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1","Organometallics","2006","25","10","2607","","10.1021/om050461z","","","0.71073","MoKα","","0.0762","0.0496","","","0.0973","0.1054","","","","","","1.092","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4074604","9.71","0.001","12.271","0.001","19.457","0.002","90","","90","","90","","2318.3","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 B P -","- C24 H40 B P -","- C96 H160 B4 P4 -","4","1","","Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich","Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1","Organometallics","2006","25","10","2607","","10.1021/om050461z","","","0.71073","MoKα","","0.0934","0.054","","","0.0966","0.1093","","","","","","0.99","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074605","6.414","0.001","12.288","0.003","29.44","0.006","90","","90","","90","","2320.3","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H32 B P -","- C26 H32 B P -","- C104 H128 B4 P4 -","4","1","","Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich","Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1","Organometallics","2006","25","10","2607","","10.1021/om050461z","","","0.71073","MoKα","","0.0888","0.0582","","","0.1078","0.1167","","","","","","1.085","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074606","9.3472","0.0007","13.2935","0.0007","12.8177","0.0007","90","","98.811","0.005","90","","1573.89","0.17","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C30 H44 Cl F6 N P2 Ru -","- C30 H44 Cl F6 N P2 Ru -","- C60 H88 Cl2 F12 N2 P4 Ru2 -","2","1","","Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich","Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1","Organometallics","2006","25","10","2607","","10.1021/om050461z","","","0.71073","MoKα","","0.0514","0.0334","","","0.0621","0.0669","","","","","","0.895","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074607","10.3198","0.0008","20.126","0.002","13.0266","0.0004","90","","93.332","0.004","90","","2701","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C24 H36 Cl F6 N P2 Ru -","- C24 H36 Cl F6 N P2 Ru -","- C96 H144 Cl4 F24 N4 P8 Ru4 -","4","2","","Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich","Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1","Organometallics","2006","25","10","2607","","10.1021/om050461z","","","0.71073","MoKα","","0.0536","0.0353","","","0.0659","0.0711","","","","","","0.859","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074608","19.012","0.002","10.631","0.001","31.003","0.003","90","","97.201","0.008","90","","6216.8","1.1","100","2","100","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C26.5 H41 Cl2 F6 N P2 Ru -","- C26.5 H41 Cl2 F6 N P2 Ru -","- C212 H328 Cl16 F48 N8 P16 Ru8 -","8","2","","Pinto, Patrícia; Götz, Andreas W.; Marconi, Guido; Hess, Bernd A.; Marinetti, Angela; Heinemann, Frank W.; Zenneck, Ulrich","Diastereoselective Synthesis of Arene Ruthenium(II) Complexes Containing Chiral Phosphetane-Based Tethers†,1","Organometallics","2006","25","10","2607","","10.1021/om050461z","","","0.71073","MoKα","","0.0674","0.0422","","","0.0792","0.0856","","","","","","0.937","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074609","10.5083","0.0006","11.2424","0.0007","18.3603","0.001","93.964","0.001","92.994","0.001","115.085","0.001","1951.8","0.2","98","2","98","2","","","","","","","","7","P -1","-P 1","2","","","","- C44 H43.5 Cl Cr N O4 P2 -","- C44 H43.5 Cl1.5 Cr N O4 P2 -","- C88 H87 Cl3 Cr2 N2 O8 P4 -","2","1","","Schofer, Susan J.; Day, Michael W.; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E.","Ethylene Trimerization Catalysts Based on Chromium Complexes with a Nitrogen-Bridged Diphosphine Ligand Havingortho-Methoxyaryl orortho-Thiomethoxy Substituents: Well-Defined Catalyst Precursors and Investigations of the Mechanism","Organometallics","2006","25","11","2743","","10.1021/om0506062","","","0.71073","MoKα","","0.0836","0.0509","","","0.0985","0.103","","","","","","1.472","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4074610","42.5886","0.0004","15.4091","0.0003","21.9684","0.0003","90","","107.045","0.001","90","","13783.5","0.4","293","2","293","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C64 H66 Ag Cl4 F6 P4 Pt Sb -","- C64 H57 Ag Cl4 F6 P4 Pt Sb -","- C512 H456 Ag8 Cl32 F48 P32 Pt8 Sb8 -","8","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.1075","0.063","","","0.1514","0.189","","","","","","1.128","","","","has coordinates,has disorder","178635","2020-10-21","18:00:00",""
"4074611","10.6906","0.0002","25.2092","0.0005","23.8996","0.0003","90","","100.097","0.001","90","","6341.22","0.19","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C67.5 H57 Cl4 Cu O4 P4 Pt -","- C67.5 H57 Cl4 Cu O4 P4 Pt -","- C270 H228 Cl16 Cu4 O16 P16 Pt4 -","4","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.0974","0.0574","","","0.1333","0.1653","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074612","14.3979","0.0002","14.182","","17.561","0.0003","90","","109.723","0.001","90","","3375.44","0.08","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 Cl Cu N O4 P2 Pt0.5 -","- C35 H30 Cl Cu N O4 P2 Pt0.5 -","- C140 H120 Cl4 Cu4 N4 O16 P8 Pt2 -","4","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.1115","0.0734","","","0.1594","0.1831","","","","","","1.227","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074613","10.676","0.0002","25.495","0.0005","24.5754","0.0001","90","","101.592","0.001","90","","6552.61","0.18","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H62 Cl5 Cu O4 P4 Pt -","- C70 H62 Cl5 Cu O4.003 P4 Pt -","- C280 H248 Cl20 Cu4 O16.012 P16 Pt4 -","4","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.095","0.0746","","","0.1719","0.1924","","","","","","1.294","","","","has coordinates,has disorder","178635","2020-10-21","18:00:00",""
"4074614","19.752","0.004","15.376","0.003","21.19","0.005","90","","97.952","0.002","90","","6374","2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C69 H60 Cl3 Cu N0 O6 P4 Pt -","- C68.987 H48 Cl3 Cu O5.997 P4 Pt -","- C275.948 H192 Cl12 Cu4 O23.988 P16 Pt4 -","4","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.0579","0.0495","","","0.129","0.1342","","","","","","1.097","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4074615","22.7865","0.0002","22.7865","0.0002","67.5519","0.0001","90","","90","","120","","30375.5","0.4","293","2","293","2","","","","","","","","10","R 3 c :H","R 3 -2""c","161","","","","- C62 H64.33 Cl0.67 Cu F2 N0 O3.83 P4 Pt Sb0.33 -","- C62 H62 Cl0.666667 Cu F2 O3.83333 P4 Pt Sb0.333333 -","- C1116 H1116 Cl12 Cu18 F36 O69 P72 Pt18 Sb6 -","18","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.0804","0.0596","","","0.1539","0.1778","","","","","","1.137","","","","has coordinates,has disorder","178635","2020-10-21","18:00:00",""
"4074616","11.289","0.0002","14.7199","0.0003","20.5532","0.0004","81.33","","79.603","0.001","71.9","0.001","3176.66","0.11","293","2","293","2","","","","","","","","10","P -1","-P 1","2","","","","- C66.5 H56 Au Cl F6 N0 O0 P4 Pt Sb -","- C66.5 H53 Au Cl F6 P4 Pt Sb -","- C133 H106 Au2 Cl2 F12 P8 Pt2 Sb2 -","2","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.1096","0.0864","","","0.1966","0.2156","","","","","","1.232","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4074617","14.9699","0.0004","15.0645","0.0004","18.2548","0.0004","90","","104.526","0.001","90","","3985.12","0.17","293","2","293","2","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 Cl2 Cu F6 N P2 Pt0.5 Sb Si -","- C33 H34 Cl2 Cu F6 N P2 Pt0.5 Sb Si -","- C132 H136 Cl8 Cu4 F24 N4 P8 Pt2 Sb4 Si4 -","4","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.1001","0.0701","","","0.1701","0.1962","","","","","","1.167","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074618","38.3167","0.0001","20.9887","0.0002","29.0955","0.0002","90","","129.498","0.001","90","","18055.9","0.3","293","2","293","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C76 H79 Ag1.5 Cl2 F9 O3 P4 Pt Sb1.5 -","- C76 H72 Ag1.5 Cl2 F9 O3 P4 Pt Sb1.5 -","- C608 H576 Ag12 Cl16 F72 O24 P32 Pt8 Sb12 -","8","1","","Yin, Gang-Qiang; Wei, Qiao-Hua; Zhang, Li-Yi; Chen, Zhong-Ning","Luminescent PtII−MI(M = Cu, Ag, Au) Heteronuclear Alkynyl Complexes Prepared by Reaction of [Pt(C⋮CR)4]2-with [M2(dppm)2]2+(dppm = Bis(diphenylphosphino)methane)","Organometallics","2006","25","3","580","","10.1021/om050620e","","","0.71073","MoKα","","0.1482","0.079","","","0.1947","0.2535","","","","","","1.165","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074619","16.8549","0.0016","37.45","0.004","8.5661","0.0008","90","","90","","90","","5407.1","0.9","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C30 H36 N2 O Zr -","- C30 H36 N2 O Zr -","- C240 H288 N16 O8 Zr8 -","8","1","","Liu, Yuanhong; Yan, Bin","Direct Reaction of Aroyl Cyanides with Azazirconacyclopentadienes: Synthesis and Structural Characterization of Stabilized Azazirconacyclopentenes","Organometallics","2006","25","2","544","","10.1021/om0506264","","","0.71073","MoKα","","0.1022","0.0463","","","0.1075","0.145","","","","","","0.829","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074620","11.1757","0.0007","12.5388","0.0008","24.6761","0.0016","90","","95.486","0.001","90","","3442","0.4","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","compound 1","(Tp^Me2^)Ir(CH~2~-C(Me)=C(Me)-CH~2~)(=C=C(SiMe~3~)~2~)","","- C29 H50 B Ir N6 Si2 -","- C29 H50 B Ir N6 Si2 -","- C116 H200 B4 Ir4 N24 Si8 -","4","1","","Ilg, Kerstin; Paneque, Margarita; Poveda, Manuel L.; Rendón, Nuria; Santos, Laura L.; Carmona, Ernesto; Mereiter, Kurt","Vinylidene Compounds from the Reactions of Me3SiC⋮CSiMe3with TpMe2Ir Precursors. Protonation to Alkylidene and Iridabenzene Structures","Organometallics","2006","25","9","2230","","10.1021/om050634k","","","0.71073","MoKα","","0.0387","0.0357","","","0.0779","0.0788","","","","","","1.21","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074621","17.4856","0.0013","19.3601","0.0014","20.1012","0.0015","90","","109.392","0.001","90","","6418.7","0.8","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","compound 5","(Tp^Me2^)Ir(CF~3~COO)(Ph)(=C(Me)Ph)","","- C31 H35 B F3 Ir N6 O2 -","- C31 H35 B F3 Ir N6 O2 -","- C248 H280 B8 F24 Ir8 N48 O16 -","8","2","","Ilg, Kerstin; Paneque, Margarita; Poveda, Manuel L.; Rendón, Nuria; Santos, Laura L.; Carmona, Ernesto; Mereiter, Kurt","Vinylidene Compounds from the Reactions of Me3SiC⋮CSiMe3with TpMe2Ir Precursors. Protonation to Alkylidene and Iridabenzene Structures","Organometallics","2006","25","9","2230","","10.1021/om050634k","","","0.71073","MoKα","","0.0562","0.0403","","","0.0926","0.0991","","","","","","1.038","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074622","35.009","0.002","7.968","0.0005","25.796","0.0017","90","","129.232","0.001","90","","5573.8","0.6","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","compound 6 x 1/2Et~2~O","(Tp^Me2^)IrH(CHC(Me)C(Me)CHC(Me)).1/2Et~2~O","","- C25 H39 B Ir N6 O0.5 -","- C25.845 H34 B Ir N6 -","- C206.76 H272 B8 Ir8 N48 -","8","1","","Ilg, Kerstin; Paneque, Margarita; Poveda, Manuel L.; Rendón, Nuria; Santos, Laura L.; Carmona, Ernesto; Mereiter, Kurt","Vinylidene Compounds from the Reactions of Me3SiC⋮CSiMe3with TpMe2Ir Precursors. Protonation to Alkylidene and Iridabenzene Structures","Organometallics","2006","25","9","2230","","10.1021/om050634k","","","0.71073","MoKα","","0.0494","0.0375","","","0.0667","0.0699","","","","","","1.19","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074623","15.497","0.003","8.758","0.0014","27.081","0.005","90","","90","","90","","3675.5","1.1","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H22 Ga2 N4 -","- C18 H22 Ga2 N4 -","- C144 H176 Ga16 N32 -","8","1","","Cortes-Llamas, Sara A.; Hernández-Pérez, Julio M.; Hô, Minhhuy; Muñoz-Hernández, Miguel-Ángel","Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π−π Interactions in the Solid State","Organometallics","2006","25","3","588","","10.1021/om0506421","","","0.71073","MoKα","","0.0705","0.0609","","","0.1429","0.1474","","","","","","0.998","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074624","8.9727","0.0018","17.608","0.003","26.764","0.005","90","","90","","90","","4228.5","1.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H25 Ga2 N4 -","- C21 H25 Ga2 N4 -","- C168 H200 Ga16 N32 -","8","1","","Cortes-Llamas, Sara A.; Hernández-Pérez, Julio M.; Hô, Minhhuy; Muñoz-Hernández, Miguel-Ángel","Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π−π Interactions in the Solid State","Organometallics","2006","25","3","588","","10.1021/om0506421","","","0.71073","MoKα","","0.0622","0.0451","","","0.0982","0.1061","","","","","","1.039","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074625","15.82","0.004","7.2907","0.0017","8.5398","0.0019","90","","111.805","0.004","90","","914.5","0.4","100","2","100","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C18 H22 Al2 N4 -","- C18 H22 Al2 N4 -","- C36 H44 Al4 N8 -","2","0.25","","Cortes-Llamas, Sara A.; Hernández-Pérez, Julio M.; Hô, Minhhuy; Muñoz-Hernández, Miguel-Ángel","Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π−π Interactions in the Solid State","Organometallics","2006","25","3","588","","10.1021/om0506421","","","0.71073","MoKα","","0.075","0.0704","","","0.1673","0.1698","","","","","","1.238","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074626","13.004","0.003","10.787","0.002","16.481","0.004","90","","90","","90","","2311.9","0.9","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H28 Al2 N4 -","- C24 H28 Al2 N4 -","- C96 H112 Al8 N16 -","4","1","","Cortes-Llamas, Sara A.; Hernández-Pérez, Julio M.; Hô, Minhhuy; Muñoz-Hernández, Miguel-Ángel","Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π−π Interactions in the Solid State","Organometallics","2006","25","3","588","","10.1021/om0506421","","","0.71073","MoKα","","0.0717","0.0526","","","0.1154","0.1249","","","","","","1.051","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074627","17.243","0.004","8.693","0.002","18.43","0.004","90","","115.279","0.003","90","","2498","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H36 B2 N4 -","- C28 H36 B2 N4 -","- C112 H144 B8 N16 -","4","1","","Cortes-Llamas, Sara A.; Hernández-Pérez, Julio M.; Hô, Minhhuy; Muñoz-Hernández, Miguel-Ángel","Indazolato Derivatives of Boron, Aluminum, and Gallium: Characterization and Solvent-Dependent Regioisomeric Structures through π−π Interactions in the Solid State","Organometallics","2006","25","3","588","","10.1021/om0506421","","","0.71073","MoKα","","0.0701","0.0484","","","0.1189","0.1318","","","","","","0.982","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074628","7.176","0.0017","16.922","0.004","13.252","0.003","90","","101.582","0.017","90","","1576.5","0.6","163","2","163","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 B8 Co P -","- C10 H22 B8 Co P -","- C40 H88 B32 Co4 P4 -","4","1","","Mutseneck, Elena V.; Perekalin, Dmitry S.; Holub, Josef; Starikova, Zoya A.; Petrovskii, Pavel V.; Zanello, Piero; Corsini, Maddalena; Štíbr, Bohumil; Kudinov, Alexander R.","(Tetramethylcyclobutadiene)cobalt Complexes with Phosphacarborane Ligands†","Organometallics","2006","25","10","2419","","10.1021/om050653u","","","0.71073","MoKα","","0.0445","0.0324","","","0.0693","0.0732","","","","","","1.02","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074629","7.313","0.003","16.804","0.006","13.48","0.005","90","","103.694","0.007","90","","1609.4","1.1","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H22 B8 Co P -","- C10 H22 B8 Co P -","- C40 H88 B32 Co4 P4 -","4","1","","Mutseneck, Elena V.; Perekalin, Dmitry S.; Holub, Josef; Starikova, Zoya A.; Petrovskii, Pavel V.; Zanello, Piero; Corsini, Maddalena; Štíbr, Bohumil; Kudinov, Alexander R.","(Tetramethylcyclobutadiene)cobalt Complexes with Phosphacarborane Ligands†","Organometallics","2006","25","10","2419","","10.1021/om050653u","","","0.71073","MoKα","","0.0409","0.0353","","","0.0692","0.0715","","","","","","1.033","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074630","15.2228","0.0016","16.3482","0.0017","13.2296","0.0014","90","","90","","90","","3292.4","0.6","120","2","120","2","","","","","","","","6","P 21 c a","P -2ac 2a","29","","","","- C10 H21 B8 Cl Co P -","- C10 H21 B8 Cl Co P -","- C80 H168 B64 Cl8 Co8 P8 -","8","2","","Mutseneck, Elena V.; Perekalin, Dmitry S.; Holub, Josef; Starikova, Zoya A.; Petrovskii, Pavel V.; Zanello, Piero; Corsini, Maddalena; Štíbr, Bohumil; Kudinov, Alexander R.","(Tetramethylcyclobutadiene)cobalt Complexes with Phosphacarborane Ligands†","Organometallics","2006","25","10","2419","","10.1021/om050653u","","","0.71073","MoKα","","0.0551","0.044","","","0.0934","0.0973","","","","","","1.01","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074631","8.928","0.003","10.143","0.004","14.022","0.005","98.909","0.006","95.115","0.006","93.64","0.006","1245.6","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H22 O5 Ru2 -","- C29 H22 O5 Ru2 -","- C58 H44 O10 Ru4 -","2","1","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.0934","0.0439","","","0.0783","0.0958","","","","","","1.012","","","","has coordinates","209914","2020-10-21","18:00:00",""
"4074632","24.07","0.007","7.29","0.002","16.239","0.005","90","","124.083","0.004","90","","2360","1.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H20 O4 Ru2 -","- C28 H20 O4 Ru2 -","- C112 H80 O16 Ru8 -","4","0.5","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.0453","0.0276","","","0.0522","0.0568","","","","","","1.01","","","","has coordinates","209914","2020-10-21","18:00:00",""
"4074633","22.024","0.006","14.171","0.005","16.957","0.006","90","","90.719","0.008","90","","5292","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H22 Cl2 O4 Ru2 -","- C29 H22 Cl2 O4 Ru2 -","- C232 H176 Cl16 O32 Ru16 -","8","1","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.0992","0.0453","","","0.0667","0.0794","","","","","","0.956","","","","has coordinates","209914","2020-10-21","18:00:00",""
"4074634","28.419","0.009","12.792","0.004","16.503","0.005","90","","118.054","0.004","90","","5295","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28.25 H20.5 Cl0.5 O4 Ru2 -","- C28.255 H20.36 Cl0.51 O4 Ru2 -","- C226.04 H162.88 Cl4.08 O32 Ru16 -","8","1","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.1001","0.061","","","0.1982","0.249","","","","","","2.848","","","","has coordinates,has disorder","209914","2020-10-21","18:00:00",""
"4074635","8.687","0.009","11.673","0.012","27.86","0.03","90","","97.826","0.016","90","","2799","5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H26 O7 Ru2 -","- C31 H26 O7 Ru2 -","- C124 H104 O28 Ru8 -","4","1","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.0771","0.0549","","","0.1707","0.1891","","","","","","1.076","","","","has coordinates","209914","2020-10-21","18:00:00",""
"4074636","9.869","0.005","10.941","0.006","13.37","0.007","84.886","0.008","70.146","0.008","64.953","0.008","1227.6","1.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H24 O6 Ru2 -","- C30 H24 O6 Ru2 -","- C60 H48 O12 Ru4 -","2","1","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.0484","0.0292","","","0.0712","0.0906","","","","","","1.104","","","","has coordinates","209914","2020-10-21","18:00:00",""
"4074637","22.262","0.005","7.069","0.002","22.29","0.005","90","","112.186","0.019","90","","3248.1","1.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H36 O4 Ru2 -","- C36 H36 O4 Ru2 -","- C144 H144 O16 Ru8 -","4","0.5","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.0801","0.0433","","","0.0849","0.0961","","","","","","1.02","","","","has coordinates","209914","2020-10-21","18:00:00",""
"4074638","10.579","0.004","11.98","0.004","14.91","0.005","76.461","0.005","73.896","0.005","66.281","0.004","1645.9","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 O4 Ru2 -","- C36 H36 O4 Ru2 -","- C72 H72 O8 Ru4 -","2","1","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.0572","0.0318","","","0.0662","0.0757","","","","","","1.034","","","","has coordinates","209914","2020-10-21","18:00:00",""
"4074639","18.902","0.006","17.305","0.005","21.96","0.007","90","","95.924","0.007","90","","7145","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C37 H38 Cl2 O4 Ru2 -","- C37 H38 Cl2 O4 Ru2 -","- C296 H304 Cl16 O32 Ru16 -","8","1","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.1599","0.0578","","","0.1025","0.1522","","","","","","0.973","","","","has coordinates,has disorder","209914","2020-10-21","18:00:00",""
"4074640","11.022","0.004","11.305","0.004","15.355","0.005","98.781","0.006","106.07","0.005","112.801","0.005","1620.3","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H36 O4 Ru2 -","- C36 H36 O4 Ru2 -","- C72 H72 O8 Ru4 -","2","1","","Li, Bin; Wang, Baiquan; Xu, Shansheng; Zhou, Xiuzhong; Song, Haibin","Reactions of CpArCHCHArCp with Ru3(CO)12: An Unexpected Cleavage of a Bridging C‒C Bond and Coupling of the Two Cyclopentadienyl Rings to Fulvalene Diruthenium Complexes","Organometallics","2006","25","5","1158","1166","10.1021/om050673w","","","0.71073","MoKα","","0.0615","0.0331","","","0.0802","0.0906","","","","","","1.05","","","","has coordinates","209914","2020-10-21","18:00:00",""
"4074642","9.9188","0.0015","17.33","0.003","7.2858","0.0011","90","","90.348","0.003","90","","1252.4","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 B Cr N O3 -","- C13 H10 B Cr N O3 -","- C52 H40 B4 Cr4 N4 O12 -","4","1","","Pan, Jun; Kampf, Jeff W.; Ashe, Arthur J.","Switchable Haptotropic Migrations of Tricarbonylchromium Complexes of 1,2-Dihydro-2-phenyl-1,2-azaborine","Organometallics","2006","25","1","197","","10.1021/om0506973","","","0.71073","MoKα","","0.0555","0.0468","","","0.127","0.1347","","","","","","1.094","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074643","7.5897","0.0013","9.9787","0.0017","13.252","0.002","68.342","0.003","75.79","0.003","75.134","0.003","888.8","0.3","118","2","118","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H18 B Cr N O5 -","- C17 H18 B Cr N O5 -","- C34 H36 B2 Cr2 N2 O10 -","2","1","","Pan, Jun; Kampf, Jeff W.; Ashe, Arthur J.","Switchable Haptotropic Migrations of Tricarbonylchromium Complexes of 1,2-Dihydro-2-phenyl-1,2-azaborine","Organometallics","2006","25","1","197","","10.1021/om0506973","","","0.71073","MoKα","","0.034","0.0298","","","0.0821","0.0842","","","","","","1.041","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074644","9.6236","0.0008","10.3948","0.0009","18.3517","0.0016","90","","93.68","0.002","90","","1832","0.3","203","2","203","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Me4C2Cp2CrCNtBu","","","- C21 H29 Cr N -","- C21 H29 Cr N -","- C84 H116 Cr4 N4 -","4","1","","Shapiro, Pamela J.; Zehnder, Ralph; Foo, David M.; Perrotin, Philippe; Budzelaar, Peter H. M.; Leitch, Sharon; Twamley, Brendan","ansa-Chromocene Complexes. 2. Isocyanide Derivatives of Cr(II) and Cr(III), Their Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","3","719","","10.1021/om050710j","","","0.71073","MoKα","","0.0935","0.0498","","","0.0938","0.1069","","","","","","0.988","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074645","12.8489","0.0007","13.4768","0.0007","15.3169","0.0008","74.943","0.001","70.386","0.001","73.237","0.001","2352.9","0.2","203","2","203","2","","","","","","","","6","P -1","-P 1","2","[Ph2(H2)C2Cp2CrCNtBu][BARF]","","","- C53 H29 B Cr F20 N -","- C53 H29 B Cr F20 N -","- C106 H58 B2 Cr2 F40 N2 -","2","1","","Shapiro, Pamela J.; Zehnder, Ralph; Foo, David M.; Perrotin, Philippe; Budzelaar, Peter H. M.; Leitch, Sharon; Twamley, Brendan","ansa-Chromocene Complexes. 2. Isocyanide Derivatives of Cr(II) and Cr(III), Their Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","3","719","","10.1021/om050710j","","","0.71073","MoKα","","0.0689","0.0501","","","0.1163","0.1255","","","","","","1.023","","","","has coordinates,has disorder","178635","2020-10-21","18:00:00",""
"4074646","8.2361","0.0006","11.5531","0.0008","12.3836","0.0008","75.863","0.002","74.716","0.002","82.416","0.002","1099.35","0.13","203","2","203","2","","","","","","","","6","P -1","-P 1","2","Me4C2Cp2CrCNCH2SO2C6H4CH3","","","- C25 H29 Cr N O2 S -","- C25 H29 Cr N O2 S -","- C50 H58 Cr2 N2 O4 S2 -","2","1","","Shapiro, Pamela J.; Zehnder, Ralph; Foo, David M.; Perrotin, Philippe; Budzelaar, Peter H. M.; Leitch, Sharon; Twamley, Brendan","ansa-Chromocene Complexes. 2. Isocyanide Derivatives of Cr(II) and Cr(III), Their Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","3","719","","10.1021/om050710j","","","0.71073","MoKα","","0.0828","0.0581","","","0.1199","0.1294","","","","","","1.085","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074647","10.025","0.009","27.72","0.03","7.709","0.007","90","","112.64","0.02","90","","1977","3","203","2","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Me4C2Cp2CrCNdimep","","","- C25 H29 Cr N -","- C25 H29 Cr N -","- C100 H116 Cr4 N4 -","4","0.5","","Shapiro, Pamela J.; Zehnder, Ralph; Foo, David M.; Perrotin, Philippe; Budzelaar, Peter H. M.; Leitch, Sharon; Twamley, Brendan","ansa-Chromocene Complexes. 2. Isocyanide Derivatives of Cr(II) and Cr(III), Their Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","3","719","","10.1021/om050710j","","","0.71073","MoKα","","0.0996","0.0621","","","0.1262","0.138","","","","","","0.934","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074648","11.5318","0.0008","27.2656","0.0019","15.4718","0.0011","90","","93.05","0.02","90","","4857.8","0.6","203","2","203","2","","","","","","","","6","C 1 c 1","C -2yc","9","[Me4C2Cp2CrCNdiep][BARF] + toluene","","","- C56 H37 B Cr F20 N -","- C56 H37 B Cr F20 N -","- C224 H148 B4 Cr4 F80 N4 -","4","1","","Shapiro, Pamela J.; Zehnder, Ralph; Foo, David M.; Perrotin, Philippe; Budzelaar, Peter H. M.; Leitch, Sharon; Twamley, Brendan","ansa-Chromocene Complexes. 2. Isocyanide Derivatives of Cr(II) and Cr(III), Their Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","3","719","","10.1021/om050710j","","","0.71073","MoKα","","0.0685","0.0438","","","0.0798","0.0886","","","","","","1.014","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074649","7.641","0.003","10.176","0.007","34.17","0.02","90","","95.51","0.05","90","","2645","3","203","2","203","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FecNCCrCp2C2(H2)Ph2","","","- C35 H29 Cr Fe N -","- C35 H29 Cr Fe N -","- C140 H116 Cr4 Fe4 N4 -","4","1","","Shapiro, Pamela J.; Zehnder, Ralph; Foo, David M.; Perrotin, Philippe; Budzelaar, Peter H. M.; Leitch, Sharon; Twamley, Brendan","ansa-Chromocene Complexes. 2. Isocyanide Derivatives of Cr(II) and Cr(III), Their Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","3","719","","10.1021/om050710j","","","0.71073","MoKα","","0.105","0.0609","","","0.139","0.1535","","","","","","1.073","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074650","10.551","0.009","9.168","0.008","17.063","0.018","90","","107.79","0.04","90","","1572","3","81","2","81","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Me4C2Cp2CrCNC6H4NCCrCp2C2Me4","","","- C40 H44 Cr2 N2 -","- C40 H44 Cr2 N2 -","- C80 H88 Cr4 N4 -","2","0.5","","Shapiro, Pamela J.; Zehnder, Ralph; Foo, David M.; Perrotin, Philippe; Budzelaar, Peter H. M.; Leitch, Sharon; Twamley, Brendan","ansa-Chromocene Complexes. 2. Isocyanide Derivatives of Cr(II) and Cr(III), Their Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","3","719","","10.1021/om050710j","","","0.71073","MoKα","","0.1412","0.064","","","0.1251","0.152","","","","","","0.894","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074651","12.8945","0.0005","13.3213","0.0005","13.4444","0.0005","69.17","0.01","68.65","0.01","71.84","0.01","1965.8","0.2","81","2","81","2","","","","","","","","5","P -1","-P 1","2","[(Me4C2Cp2CrCN)2Fec] + C6H6","","","- C50 H54 Cr2 Fe N2 -","- C50 H54 Cr2 Fe N2 -","- C100 H108 Cr4 Fe2 N4 -","2","1","","Shapiro, Pamela J.; Zehnder, Ralph; Foo, David M.; Perrotin, Philippe; Budzelaar, Peter H. M.; Leitch, Sharon; Twamley, Brendan","ansa-Chromocene Complexes. 2. Isocyanide Derivatives of Cr(II) and Cr(III), Their Syntheses, X-ray Crystal Structures, and Physical Properties","Organometallics","2006","25","3","719","","10.1021/om050710j","","","0.71073","MoKα","","0.1093","0.0625","","","0.1115","0.1275","","","","","","0.967","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074652","8.7025","0.0015","11.418","0.002","11.949","0.002","64.326","0.003","88.254","0.003","78.493","0.003","1046.5","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 Cl6 Pt -","- C18 H16 Cl6 Pt -","- C36 H32 Cl12 Pt2 -","2","1","","Singh, Anupam; Sharp, Paul R.","Platinum(II) and Palladium(II) Dibenzo[a,e]cyclooctatetraene (DBCOT) Oxo and Halide Complexes: Comparison to 1,5-COD Analogues","Organometallics","2006","25","3","678","","10.1021/om050713w","","","0.71073","MoKα","","0.0404","0.0376","","","0.0984","0.1002","","","","","","1.048","","","","has coordinates,has disorder","178635","2020-10-21","18:00:00",""
"4074653","8.6556","0.0005","11.4257","0.0006","11.9665","0.0007","63.961","0.001","87.579","0.001","78.227","0.001","1039.44","0.1","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 Cl6 Pd -","- C18 H16 Cl6 Pd -","- C36 H32 Cl12 Pd2 -","2","1","","Singh, Anupam; Sharp, Paul R.","Platinum(II) and Palladium(II) Dibenzo[a,e]cyclooctatetraene (DBCOT) Oxo and Halide Complexes: Comparison to 1,5-COD Analogues","Organometallics","2006","25","3","678","","10.1021/om050713w","","","0.71073","MoKα","","0.0416","0.0326","","","0.0791","0.084","","","","","","1.035","","","","has coordinates,has disorder","178635","2020-10-21","18:00:00",""
"4074654","13.153","0.0012","16.0334","0.0014","32.836","0.003","90","","90","","90","","6924.7","1.1","173","2","173","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C16.5 H13 Cl I2 Pt -","- C16.5 H13 Cl I2 Pt -","- C264 H208 Cl16 I32 Pt16 -","16","2","","Singh, Anupam; Sharp, Paul R.","Platinum(II) and Palladium(II) Dibenzo[a,e]cyclooctatetraene (DBCOT) Oxo and Halide Complexes: Comparison to 1,5-COD Analogues","Organometallics","2006","25","3","678","","10.1021/om050713w","","","0.71073","MoKα","","0.0663","0.0464","","","0.0969","0.1061","","","","","","1.105","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074655","14.5038","0.0009","36.472","0.002","26.1887","0.0016","90","","97.832","0.001","90","","13724.1","1.4","173","2","173","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C112 H91 Au3 B3 Cl30 F12 O3 P3 Pt3 -","- C112 H91 Au3 B3 Cl30 F12 O3 P3 Pt3 -","- C448 H364 Au12 B12 Cl120 F48 O12 P12 Pt12 -","4","1","","Singh, Anupam; Sharp, Paul R.","Platinum(II) and Palladium(II) Dibenzo[a,e]cyclooctatetraene (DBCOT) Oxo and Halide Complexes: Comparison to 1,5-COD Analogues","Organometallics","2006","25","3","678","","10.1021/om050713w","","","0.71073","MoKα","","0.1862","0.0827","","","0.1808","0.2246","","","","","","1.048","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074656","31.612","0.003","16.459","0.002","8.331","0.002","90","","90","","90","","4334.6","1.2","291.2","","291.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H34 Cl Ir N2 -","- C21 H34 Cl Ir N2 -","- C168 H272 Cl8 Ir8 N16 -","8","1","","Hanasaka, Fumihiro; Tanabe, Yusuke; Fujita, Ken-ichi; Yamaguchi, Ryohei","Synthesis of New Iridium N-Heterocyclic Carbene Complexes and Facile Intramolecular Alkyl C−H Bond Activation Reactions of the Carbene Ligand","Organometallics","2006","25","4","826","","10.1021/om050723x","","","0.7107","MoKα","","0.0309","0.031","","0.035","","0.035","","","1.457","","","1.46","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074657","11.441","0.004","11.805","0.003","18.131","0.007","90","","92.91","0.02","90","","2445.6","1.4","173.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 F3 Ir N3 O3 S -","- C21 H33 F3 Ir N3 O3 S -","- C84 H132 F12 Ir4 N12 O12 S4 -","4","1","","Hanasaka, Fumihiro; Tanabe, Yusuke; Fujita, Ken-ichi; Yamaguchi, Ryohei","Synthesis of New Iridium N-Heterocyclic Carbene Complexes and Facile Intramolecular Alkyl C−H Bond Activation Reactions of the Carbene Ligand","Organometallics","2006","25","4","826","","10.1021/om050723x","","","0.7107","MoKα","","","0.03","","","","0.073","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074658","9.737","0.001","11.711","0.002","14.758","0.002","89.05","0.01","70.79","0.01","89.94","0.01","1588.9","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","[N,N'-1,3-tetrakis(1,1-dimethylethyl)- 1,3,2,4-diazaphosphetidine-2,4-diaminato(2-)-κN2,κN4] phenylmethylene(tetrahydrofuran)titanium(IV)","","- C27 H50 N4 O P2 Ti -","- C27 H50 N4 O P2 Ti -","- C54 H100 N8 O2 P4 Ti2 -","2","1","","Axenov, Kirill V.; Kilpeläinen, Ilkka; Klinga, Martti; Leskelä, Markku; Repo, Timo","Titanium and Zirconium Benzyl Complexes Bearing Bulky Bis(amido)cyclodiphosph(III)azanes: Synthesis, Structure, Activation, and Ethene Polymerization Studies","Organometallics","2006","25","2","463","","10.1021/om050725h","","","0.71073","MoKα","","0.1092","0.0669","","","0.1563","0.1728","","","","","","1.001","","","","has coordinates,has disorder","178635","2020-10-21","18:00:00",""
"4074659","9.067","0.001","18.639","0.003","19.798","0.003","90","","77.56","0.01","90","","3267.3","0.8","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[N,N'-1,3-tetrakis(1,1-dimethylethyl)-1,3,2,4-diazadiphosphetidine- 2,4-diaminato(2-)-κN2;κN4]bis(phenylmethyl)zirconium(IV)","","- C30 H50 N4 P2 Zr -","- C30 H50 N4 P2 Zr -","- C120 H200 N16 P8 Zr4 -","4","1","","Axenov, Kirill V.; Kilpeläinen, Ilkka; Klinga, Martti; Leskelä, Markku; Repo, Timo","Titanium and Zirconium Benzyl Complexes Bearing Bulky Bis(amido)cyclodiphosph(III)azanes: Synthesis, Structure, Activation, and Ethene Polymerization Studies","Organometallics","2006","25","2","463","","10.1021/om050725h","","","0.71073","MoKα","","0.061","0.0336","","","0.0662","0.0739","","","","","","1.009","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074660","10.87","0.001","33.707","0.003","15.506","0.001","90","","100.66","0.01","90","","5583.3","0.8","173","2","173","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","[N,N'-1,3-tetrakis(1,1-dimethylethyl)- 1,3,2,4-diazadiphosphetidine-2,4-diaminato(2-)-κN2,κN4] [1,1-oxybis(ethane)]phenylmethylzirconium(1+) tetrakis(pentafluorophenyl)borate(1-)","","- C52 H60 B F15 N4 O P2 Zr -","- C52 H60 B F15 N4 O P2 Zr -","- C208 H240 B4 F60 N16 O4 P8 Zr4 -","4","1","","Axenov, Kirill V.; Kilpeläinen, Ilkka; Klinga, Martti; Leskelä, Markku; Repo, Timo","Titanium and Zirconium Benzyl Complexes Bearing Bulky Bis(amido)cyclodiphosph(III)azanes: Synthesis, Structure, Activation, and Ethene Polymerization Studies","Organometallics","2006","25","2","463","","10.1021/om050725h","","","0.71073","MoKα","","0.0943","0.0536","","","0.1097","0.1222","","","","","","1.022","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074661","12.164","0.0012","11.328","0.0005","16.122","0.0014","90","","100.114","0.004","90","","2187","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 B Ge Li -","- C24 H30 B Ge Li -","- C96 H120 B4 Ge4 Li4 -","4","1","","Nanjo, Masato; Matsudo, Kazuhiko; Kurihara, Mari; Nakamura, Sayaka; Sakaguchi, Yoshio; Hayashi, Hisaharu; Mochida, Kunio","Preparation, Structural Characterization, and Photochemical Reactions of Silyl- and Germylborates","Organometallics","2006","25","4","832","","10.1021/om050733y","","","0.7107","MoKα","","0.0441","0.0362","","","0.1069","0.1153","","","","","","0.945","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074662","11.192","0.0009","11.083","0.0006","11.537","0.001","84.692","0.005","84.914","0.004","86.971","0.005","1417.87","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H33 B Ge Li O3 -","- C27 H41 B Ge Li O3 -","- C54 H82 B2 Ge2 Li2 O6 -","2","1","","Nanjo, Masato; Matsudo, Kazuhiko; Kurihara, Mari; Nakamura, Sayaka; Sakaguchi, Yoshio; Hayashi, Hisaharu; Mochida, Kunio","Preparation, Structural Characterization, and Photochemical Reactions of Silyl- and Germylborates","Organometallics","2006","25","4","832","","10.1021/om050733y","","","0.7107","MoKα","","0.039","0.0367","","","0.1207","0.1238","","","","","","1.125","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074663","11.661","0.004","12.151","0.002","16.271","0.005","82.81","0.02","69.852","0.013","84.23","0.02","2143.3","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H58 B Ge Li O6 -","- C43 H28 B Ge Li O6 -","- C86 H56 B2 Ge2 Li2 O12 -","2","1","","Nanjo, Masato; Matsudo, Kazuhiko; Kurihara, Mari; Nakamura, Sayaka; Sakaguchi, Yoshio; Hayashi, Hisaharu; Mochida, Kunio","Preparation, Structural Characterization, and Photochemical Reactions of Silyl- and Germylborates","Organometallics","2006","25","4","832","","10.1021/om050733y","","","0.7107","MoKα","","0.0899","0.0755","","","0.2037","0.2137","","","","","","1.593","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074664","12.497","0.0005","11.675","0.0006","15.574","0.0006","90","","102.449","0.003","90","","2218.86","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 B Ge Na -","- C24 H30 B Ge Na -","- C96 H120 B4 Ge4 Na4 -","4","1","","Nanjo, Masato; Matsudo, Kazuhiko; Kurihara, Mari; Nakamura, Sayaka; Sakaguchi, Yoshio; Hayashi, Hisaharu; Mochida, Kunio","Preparation, Structural Characterization, and Photochemical Reactions of Silyl- and Germylborates","Organometallics","2006","25","4","832","","10.1021/om050733y","","","0.7107","MoKα","","0.0307","0.0298","","","0.1107","0.1128","","","","","","1.09","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074665","14.608","0.005","23.769","0.005","11.986","0.005","90","","90.564","0.005","90","","4162","2","0","","293","","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","heterodimetallacyclopentenone","sythfe","","- C42 H30 Fe O4 P2 Pt S2 -","- C42 H30 Fe O4 P2 Pt S2 -","- C168 H120 Fe4 O16 P8 Pt4 S8 -","4","1","","Yamazaki, Shinsaku; Taira, Zenei; Yonemura, Toshiaki; Deeming, Anthony J.","Metallacycles of 1,4-Bis(3-thiophenyl)-1,3-butadiyne in Mixed Metal Clusters Derived by C−C Bond Coupling of Alkynyls","Organometallics","2006","25","4","849","","10.1021/om050748w","","x-ray","0.71069","MoKα","","0.0513","0.0426","","","0.1426","","","","","","","1.195","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074666","12.868","","15.672","","25.291","","90","","79.677","","90","","5017.81","","293","","298","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","metallacyclic compound of 1,3-diyne","sythrupt","","- C46 H30 O8 P2 Pt Ru3 S2 -","- C46 H30 O8 P2 Pt Ru3 S2 -","- C184 H120 O32 P8 Pt4 Ru12 S8 -","4","1","","Yamazaki, Shinsaku; Taira, Zenei; Yonemura, Toshiaki; Deeming, Anthony J.","Metallacycles of 1,4-Bis(3-thiophenyl)-1,3-butadiyne in Mixed Metal Clusters Derived by C−C Bond Coupling of Alkynyls","Organometallics","2006","25","4","849","","10.1021/om050748w","","x-ray","0.71073","MoKα","","0.064","0.0512","","","","0.1727","","","","","","1.068","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074667","12.616","0.001","16.946","0.002","23.175","0.002","90","","90","","90","","4954.6","0.8","150.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H70 F12 P6 Rh2 -","- C38 H70 F12 P6 Rh2 -","- C152 H280 F48 P24 Rh8 -","4","1","","Imamoto, Tsuneo; Yashio, Keiji; Crépy, Karen V. L.; Katagiri, Kosuke; Takahashi, Hidetoshi; Kouchi, Mitsuhiro; Gridnev, Ilya D.","P-Chiral Tetraphosphine Dirhodium Complex as a Catalyst for Asymmetric Hydrogenation: Synthesis, Structure, Enantioselectivity, and Mechanism. Stereoselective Formation of a Dirhodium Tetrahydride Complex and Its Reaction with Methyl (Z)-α-Acetamidocinnamate","Organometallics","2006","25","4","908","","10.1021/om050759p","","","0.7107","MoKα","","","0.0716","","","","0.0961","","","","","","1.566","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074668","39.214","0.003","13.1766","0.0008","28.174","0.002","90","","131.978","0.002","90","","10822.2","1.4","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C59 H46 F6 N3 O0.5 P3 Ru -","- C58.998 H40 F6 N3 O0.5 P3 Ru -","- C471.984 H320 F48 N24 O4 P24 Ru8 -","8","1","","Gao, Li-Bin; Liu, Sheng-Hua; Zhang, Li-Yi; Shi, Lin-Xi; Chen, Zhong-Ning","Preparation, Characterization, Redox Properties, and UV−Vis−NIR Spectra of Binuclear Ruthenium Complexes [{(Phtpy)(PPh3)2Ru}2{C⋮C−(CHCH)m−C⋮C}]n+(Phtpy = 4‘-phenyl-2,2‘:6‘,2‘ ‘-terpyridine)","Organometallics","2006","25","2","506","","10.1021/om050765l","","","0.71073","MoKα","","0.0743","0.0682","","","0.1973","0.2055","","","","","","1.099","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074669","20.5239","0.0008","14.2637","0.0007","10.5071","0.0004","90","","104.031","0.003","90","","2984.1","0.2","150","","150","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","[Ti2(mu-S)2(C5Me5)2{PhC(NSiMe3)2}2]","","- C46 H76 N4 S2 Si4 Ti2 -","- C46 H76 N4 S2 Si4 Ti2 -","- C92 H152 N8 S4 Si8 Ti4 -","2","0.25","","Guiducci, Aldo E.; Boyd, Catherine L.; Mountford, Philip","Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds","Organometallics","2006","25","5","1167","1187","10.1021/om050784v","","","0.71073","MoKα","","","0.0744","","","0.09","","","","","0.9111","0.9111","","","","","has coordinates","288252","2023-12-12","14:26:24",""
"4074670","20.5223","0.0004","20.5223","0.0004","24.3873","0.0006","90","","90","","90","","10271.1","0.4","150","","150","","","","","","","","","4","I 41 c d","I 4bw -2c","110","","[Ti(C5Me5)(N-2,6-C6H3Me2){MeC(N-iPr)2}]","","- C26 H41 N3 Ti -","- C26 H41 N3 Ti -","- C416 H656 N48 Ti16 -","16","1","","Guiducci, Aldo E.; Boyd, Catherine L.; Mountford, Philip","Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds","Organometallics","2006","25","5","1167","1187","10.1021/om050784v","","","0.71073","MoKα","","","0.0396","","","","0.0418","","","","","","1.0434","","","","has coordinates","209809","2020-10-21","18:00:00",""
"4074671","9.416","0.001","10.684","0.002","12.409","0.002","93.934","0.006","94.552","0.008","115.495","0.008","1115.9","0.3","175","","175","","","","","","","","[Ti(N-t-Bu)(C5H4Me){PhC(NSiMe3)2}] + CS2","6","P -1","-P 1","2","","[Ti(mu-S)(C5H4Me){PhC(NSiMe3)2}]2","","- C38 H60 N4 S2 Si4 Ti2 -","- C38 H60 N4 S2 Si4 Ti2 -","- C38 H60 N4 S2 Si4 Ti2 -","1","0.5","","Guiducci, Aldo E.; Boyd, Catherine L.; Mountford, Philip","Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds","Organometallics","2006","25","5","1167","1187","10.1021/om050784v","","","0.71069","MoKα","","","0.0636","","","0.0534","","","","","1.0971","1.0971","","","","","has coordinates","288252","2023-12-12","14:26:24",""
"4074672","19.0867","0.0009","9.827","0.0004","17.7637","0.0007","90","","93.316","0.002","90","","3326.3","0.2","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[Ti(C5Me5){OC(N-2,6-C6H3Me2)N(2,6-C6H3Me2)}{MeC(N-iPr)2}]","","- C35 H50 N4 O Ti -","- C35 H50 N4 O Ti -","- C140 H200 N16 O4 Ti4 -","4","1","","Guiducci, Aldo E.; Boyd, Catherine L.; Mountford, Philip","Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds","Organometallics","2006","25","5","1167","1187","10.1021/om050784v","","","0.71073","MoKα","","","0.0591","","","","0.0608","","","","","","1.0358","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4074673","9.5758","0.0003","9.9197","0.0003","17.2651","0.0006","82.229","0.001","78.344","0.001","84.112","0.001","1586.63","0.09","150","","150","","","","","","","","","5","P -1","-P 1","2","","[Ti(C5Me5){OC(NC6H5)N(2,6-C6H3Me2)}{MeC(N-iPr)2}]","","- C34 H47 N4 O Ti -","- C34 H47 N4 O Ti -","- C68 H94 N8 O2 Ti2 -","2","1","","Guiducci, Aldo E.; Boyd, Catherine L.; Mountford, Philip","Reactions of Cyclopentadienyl-Amidinate Titanium Imido Compounds with CS2, COS, Isocyanates, and Other Unsaturated Organic Compounds","Organometallics","2006","25","5","1167","1187","10.1021/om050784v","","","0.71073","MoKα","","","0.089","","","","0.0919","","","","","","1.0488","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4074674","8.084","0.0005","13.8728","0.0009","20.2548","0.0013","90","","90","","90","","2271.5","0.3","103","2","103","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H31 Cl N6 O4 Pd -","- C16 H31 Cl N6 O4 Pd -","- C64 H124 Cl4 N24 O16 Pd4 -","4","1","","Moncada, Adriana I.; Manne, Sudhakar; Tanski, Joseph M.; Slaughter, LeGrande M.","Modular Chelated Palladium Diaminocarbene Complexes: Synthesis, Characterization, and Optimization of Catalytic Suzuki−Miyaura Cross-Coupling Activity by Ligand Modification","Organometallics","2006","25","2","491","","10.1021/om050786f","","","0.71073","MoKα","","0.0151","0.0149","","","0.0394","0.0395","","","","","","1.082","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074675","10.8099","0.0008","11.3178","0.0009","11.3765","0.0009","74.719","0.001","62.971","0.001","62.27","0.001","1095.03","0.15","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H30 Br2 N4 O2 Pd S2 -","- C12 H30 Br2 N4 O2 Pd S2 -","- C24 H60 Br4 N8 O4 Pd2 S4 -","2","1","","Moncada, Adriana I.; Manne, Sudhakar; Tanski, Joseph M.; Slaughter, LeGrande M.","Modular Chelated Palladium Diaminocarbene Complexes: Synthesis, Characterization, and Optimization of Catalytic Suzuki−Miyaura Cross-Coupling Activity by Ligand Modification","Organometallics","2006","25","2","491","","10.1021/om050786f","","","0.71073","MoKα","","0.0179","0.0173","","","0.0452","0.0455","","","","","","1.038","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074676","26.292","0.0012","7.6568","0.0003","9.6383","0.0004","90","","107.61","0.003","90","","1849.38","0.14","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H26 Br2 N4 Pd -","- C14 H26 Br2 N4 Pd -","- C56 H104 Br8 N16 Pd4 -","4","0.5","","Moncada, Adriana I.; Manne, Sudhakar; Tanski, Joseph M.; Slaughter, LeGrande M.","Modular Chelated Palladium Diaminocarbene Complexes: Synthesis, Characterization, and Optimization of Catalytic Suzuki−Miyaura Cross-Coupling Activity by Ligand Modification","Organometallics","2006","25","2","491","","10.1021/om050786f","","","0.71073","MoKα","","0.0476","0.0411","","","0.0878","0.0894","","","","","","1.234","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074677","11.698","0.002","11.767","0.002","21.873","0.006","90","","121.7","0.02","90","","2561.6","1.1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H34 Br2 N4 O2 Pd S2 -","- C14 H34 Br2 N4 O2 Pd S2 -","- C56 H136 Br8 N16 O8 Pd4 S8 -","4","1","","Moncada, Adriana I.; Manne, Sudhakar; Tanski, Joseph M.; Slaughter, LeGrande M.","Modular Chelated Palladium Diaminocarbene Complexes: Synthesis, Characterization, and Optimization of Catalytic Suzuki−Miyaura Cross-Coupling Activity by Ligand Modification","Organometallics","2006","25","2","491","","10.1021/om050786f","","","0.71073","MoKα","","0.1282","0.0615","","","0.1651","0.2176","","","","","","1.073","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074678","7.5348","0.001","9.0018","0.0012","10.554","0.0014","83.427","0.002","88.08","0.002","81.682","0.002","703.55","0.16","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C7 H18 Br2 N4 O Pd S -","- C7 H18 Br2 N4 O Pd S -","- C14 H36 Br4 N8 O2 Pd2 S2 -","2","1","","Moncada, Adriana I.; Manne, Sudhakar; Tanski, Joseph M.; Slaughter, LeGrande M.","Modular Chelated Palladium Diaminocarbene Complexes: Synthesis, Characterization, and Optimization of Catalytic Suzuki−Miyaura Cross-Coupling Activity by Ligand Modification","Organometallics","2006","25","2","491","","10.1021/om050786f","","","0.71073","MoKα","","0.0463","0.0445","","","0.1208","0.1219","","","","","","1.055","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074679","18.779","0.002","29.478","0.001","18.7773","0.001","90","","118.647","0.01","90","","9122.1","1.4","150","","150","","","","","","","","see text","7","P 1 21/c 1","-P 2ybc","14","","","","- C83 H65 Cl3 F8 O12 P4 Ru2 -","- C83 H65 Cl3 F8 O12 P4 Ru2 -","- C332 H260 Cl12 F32 O48 P16 Ru8 -","4","1","","van Buijtenen, Jeroen; Meuldijk, Jan; Vekemans, Jef A. J. M.; Hulshof, Lumbertus A.; Kooijman, Huub; Spek, Anthony L.","Dinuclear Ruthenium Complexes Bearing Dicarboxylate and Phosphine Ligands. Acceptorless Catalytic Dehydrogenation of 1-Phenylethanol","Organometallics","2006","25","4","873","","10.1021/om050789s","","x-ray","0.71073","MoKα","","0.0641","0.0444","","","0.129","0.1358","","","","","","1.063","","","","has coordinates","189820","2020-10-21","18:00:00",""
"4074680","20.4988","0.0012","20.8765","0.0012","25.2786","0.0015","66.336","0.018","67.039","0.018","84.82","0.018","9095","2","150","","150","","","","","","","","see text","6","P -1","-P 1","2","","","","- C94 H64 F4 O6 P4 Ru2 -","- C94 H64 F4 O6 P4 Ru2 -","- C376 H256 F16 O24 P16 Ru8 -","4","2","","van Buijtenen, Jeroen; Meuldijk, Jan; Vekemans, Jef A. J. M.; Hulshof, Lumbertus A.; Kooijman, Huub; Spek, Anthony L.","Dinuclear Ruthenium Complexes Bearing Dicarboxylate and Phosphine Ligands. Acceptorless Catalytic Dehydrogenation of 1-Phenylethanol","Organometallics","2006","25","4","873","","10.1021/om050789s","","x-ray","0.71073","MoKα","","0.1332","0.0725","","","0.1724","0.1924","","","","","","0.976","","","","has coordinates","189820","2020-10-21","18:00:00",""
"4074681","15.8597","0.0014","28.26","0.004","21.528","0.002","90","","102.8","0.02","90","","9409","1.9","150","","150","","","","","","","","see text","6","P 1 21/c 1","-P 2ybc","14","","","","- C94 H64 F4 O6 P4 Ru2 -","- C94 H64 F4 O6 P4 Ru2 -","- C376 H256 F16 O24 P16 Ru8 -","4","1","","van Buijtenen, Jeroen; Meuldijk, Jan; Vekemans, Jef A. J. M.; Hulshof, Lumbertus A.; Kooijman, Huub; Spek, Anthony L.","Dinuclear Ruthenium Complexes Bearing Dicarboxylate and Phosphine Ligands. Acceptorless Catalytic Dehydrogenation of 1-Phenylethanol","Organometallics","2006","25","4","873","","10.1021/om050789s","","x-ray","0.71073","MoKα","","0.1751","0.0991","","","0.2388","0.2676","","","","","","1.048","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074682","11.9657","0.0008","16.0604","0.0011","20.2335","0.0014","90","","98.876","0.002","90","","3841.8","0.5","223","2","223","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C38 H41 Cl2 F5 Fe I O2 P Pd -","- C38 H41 Cl2 F5 Fe I O2 P Pd -","- C152 H164 Cl8 F20 Fe4 I4 O8 P4 Pd4 -","4","1","","Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy","1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling of Aryl Chlorides","Organometallics","2006","25","5","1199","1205","10.1021/om050791j","","","0.71073","MoKα","","0.0994","0.0651","","","0.1683","0.1901","","","","","","1.045","","","","has coordinates","209826","2020-10-21","18:00:00",""
"4074683","10.613","0.0005","12.0109","0.0006","13.3195","0.0007","90.409","0.001","95.317","0.001","94.328","0.001","1685.56","0.15","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C64 H74 Cl4 F10 Fe2 I2 O4 P2 Pd2 -","- C64 H74 Cl4 F10 Fe2 I2 O4 P2 Pd2 -","- C64 H74 Cl4 F10 Fe2 I2 O4 P2 Pd2 -","1","0.5","","Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy","1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling of Aryl Chlorides","Organometallics","2006","25","5","1199","1205","10.1021/om050791j","","","0.71073","MoKα","","0.0656","0.0512","","","0.1238","0.1305","","","","","","1.063","","","","has coordinates,has disorder","209826","2020-10-21","18:00:00",""
"4074684","11.4379","0.0004","17.5926","0.0006","18.4657","0.0007","75.977","0.001","76.18","0.001","79.435","0.001","3469.4","0.2","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C74 H92 F5 Fe2 I O4 P2 Pd -","- C74 H92 F5 Fe2 I O4 P2 Pd -","- C148 H184 F10 Fe4 I2 O8 P4 Pd2 -","2","1","","Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy","1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling of Aryl Chlorides","Organometallics","2006","25","5","1199","1205","10.1021/om050791j","","","0.71073","MoKα","","0.0956","0.0607","","","0.115","0.1274","","","","","","1.021","","","","has coordinates","209826","2020-10-21","18:00:00",""
"4074685","17.996","0.0015","19.5414","0.0015","17.0394","0.0015","90","","114.753","0.002","90","","5441.6","0.8","243","2","243","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C56 H70 F5 Fe2 I O4 P2 Pd -","- C56 H70 F5 Fe2 I O4 P2 Pd -","- C224 H280 F20 Fe8 I4 O16 P8 Pd4 -","4","0.5","","Teo, Shihui; Weng, Zhiqiang; Hor, T. S. Andy","1,1'-P/O-Ferrocenyl Ligands in Palladium-Catalyzed Suzuki Coupling of Aryl Chlorides","Organometallics","2006","25","5","1199","1205","10.1021/om050791j","","","0.71073","MoKα","","0.1521","0.0771","","","0.1332","0.1555","","","","","","1.01","","","","has coordinates","209826","2020-10-21","18:00:00",""
"4074686","12.8706","0.0002","14.6699","0.0003","22.5006","0.0005","89.7202","0.0007","85.8538","0.0006","66.62","0.001","3888.01","0.14","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C89 H88 Cl2 N2 O4 P4 Ru2 -","- C89 H88 Cl2 N2 O4 P4 Ru2 -","- C178 H176 Cl4 N4 O8 P8 Ru4 -","2","1","","Paul, Frédéric; Ellis, Benjamin G.; Bruce, Michael I.; Toupet, Loic; Roisnel, Thierry; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Bonding and Substituent Effects in Electron-Rich Mononuclear Ruthenium σ-Arylacetylides of the Formula [(η2-dppe)(η5-C5Me5)Ru(C⋮C)-1,4-(C6H4)X][PF6]n(n= 0, 1; X = NO2, CN, F, H, OMe, NH2)","Organometallics","2006","25","3","649","","10.1021/om050799t","","","0.71069","MoKα","","0.1043","0.0731","","","0.1837","0.2032","","","","","","1.069","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074687","12.3797","0.0002","13.5627","0.0002","14.3431","0.0003","72.6573","0.0008","88.128","0.0007","66.8617","0.0008","2104.03","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H49 N P2 Ru -","- C51 H49 N P2 Ru -","- C102 H98 N2 P4 Ru2 -","2","1","","Paul, Frédéric; Ellis, Benjamin G.; Bruce, Michael I.; Toupet, Loic; Roisnel, Thierry; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Bonding and Substituent Effects in Electron-Rich Mononuclear Ruthenium σ-Arylacetylides of the Formula [(η2-dppe)(η5-C5Me5)Ru(C⋮C)-1,4-(C6H4)X][PF6]n(n= 0, 1; X = NO2, CN, F, H, OMe, NH2)","Organometallics","2006","25","3","649","","10.1021/om050799t","","","0.71069","MoKα","","0.0443","0.0353","","","0.0876","0.094","","","","","","1.063","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074688","11.9933","0.0003","12.0696","0.0003","15.854","0.0003","91.458","0.002","104.174","0.001","118.673","0.001","1924.46","0.08","120","1","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46.5 H49 F P2 Ru -","- C46 H43 F P2 Ru -","- C92 H86 F2 P4 Ru2 -","2","1","","Paul, Frédéric; Ellis, Benjamin G.; Bruce, Michael I.; Toupet, Loic; Roisnel, Thierry; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Bonding and Substituent Effects in Electron-Rich Mononuclear Ruthenium σ-Arylacetylides of the Formula [(η2-dppe)(η5-C5Me5)Ru(C⋮C)-1,4-(C6H4)X][PF6]n(n= 0, 1; X = NO2, CN, F, H, OMe, NH2)","Organometallics","2006","25","3","649","","10.1021/om050799t","","","0.71073","MoKα","","0.0509","0.0442","","","0.118","0.1236","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074689","12.0259","0.0003","12.0721","0.0003","15.6709","0.0004","73.609","0.002","89.08","0.002","61.644","0.001","1901.88","0.09","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C44 H46 O P2 Ru -","- C44 H44 O P2 Ru -","- C88 H88 O2 P4 Ru2 -","2","1","","Paul, Frédéric; Ellis, Benjamin G.; Bruce, Michael I.; Toupet, Loic; Roisnel, Thierry; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Bonding and Substituent Effects in Electron-Rich Mononuclear Ruthenium σ-Arylacetylides of the Formula [(η2-dppe)(η5-C5Me5)Ru(C⋮C)-1,4-(C6H4)X][PF6]n(n= 0, 1; X = NO2, CN, F, H, OMe, NH2)","Organometallics","2006","25","3","649","","10.1021/om050799t","","x-ray","0.71073","MoKα","","0.0631","0.0481","","","0.1334","0.1457","","","","","","1.059","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074690","15.3442","0.0002","11.5119","0.0001","22.1852","0.0003","90","","108.085","0.001","90","","3725.21","0.08","150","1","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H46 O P2 Ru -","- C45 H46 O P2 Ru -","- C180 H184 O4 P8 Ru4 -","4","1","","Paul, Frédéric; Ellis, Benjamin G.; Bruce, Michael I.; Toupet, Loic; Roisnel, Thierry; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Bonding and Substituent Effects in Electron-Rich Mononuclear Ruthenium σ-Arylacetylides of the Formula [(η2-dppe)(η5-C5Me5)Ru(C⋮C)-1,4-(C6H4)X][PF6]n(n= 0, 1; X = NO2, CN, F, H, OMe, NH2)","Organometallics","2006","25","3","649","","10.1021/om050799t","","","0.71069","MoKα","","0.0454","0.0375","","","0.1008","0.1075","","","","","","1.07","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074691","15.5926","0.0002","11.1284","0.001","22.2708","0.0004","90","","108.789","0.001","90","","3658.5","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H45 N P2 Ru -","- C44 H45 N P2 Ru -","- C176 H180 N4 P8 Ru4 -","4","1","","Paul, Frédéric; Ellis, Benjamin G.; Bruce, Michael I.; Toupet, Loic; Roisnel, Thierry; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Bonding and Substituent Effects in Electron-Rich Mononuclear Ruthenium σ-Arylacetylides of the Formula [(η2-dppe)(η5-C5Me5)Ru(C⋮C)-1,4-(C6H4)X][PF6]n(n= 0, 1; X = NO2, CN, F, H, OMe, NH2)","Organometallics","2006","25","3","649","","10.1021/om050799t","","x-ray","0.71073","MoKα","","0.0727","0.0386","","","0.0793","0.0899","","","","","","1.057","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074692","8.7321","0.0002","19.3489","0.0005","22.1105","0.0007","90","","98.459","0.001","90","","3695.07","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H43 F P2 Ru -","- C44 H43 F P2 Ru -","- C176 H172 F4 P8 Ru4 -","4","1","","Paul, Frédéric; Ellis, Benjamin G.; Bruce, Michael I.; Toupet, Loic; Roisnel, Thierry; Costuas, Karine; Halet, Jean-François; Lapinte, Claude","Bonding and Substituent Effects in Electron-Rich Mononuclear Ruthenium σ-Arylacetylides of the Formula [(η2-dppe)(η5-C5Me5)Ru(C⋮C)-1,4-(C6H4)X][PF6]n(n= 0, 1; X = NO2, CN, F, H, OMe, NH2)","Organometallics","2006","25","3","649","","10.1021/om050799t","","","0.71069","MoKα","","0.121","0.0686","","","0.1647","0.2007","","","","","","1.024","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074693","9.2917","0.0012","14.3188","0.0018","17.576","0.002","85.143","0.002","80.584","0.002","74.207","0.002","2217.8","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H22 Cl6 F10 I2 P2 Pt2 -","- C38 H22 Cl6 F10 I2 P2 Pt2 -","- C76 H44 Cl12 F20 I4 P4 Pt4 -","2","1","","Ara, Irene; Chaouche, Naima; Forniés, Juan; Fortuño, Consuelo; Kribii, Abdelaziz; Tsipis, Athanassios C.","Formation of PPh2C6F5through Phosphido Platinum and/or Palladium(III) Intermediates","Organometallics","2006","25","5","1084","1091","10.1021/om0508029","","","0.71073","MoKα","","0.0231","0.0205","","","0.0417","0.0424","","","","","","1.015","","","","has coordinates","209870","2020-10-21","18:00:00",""
"4074694","11.0208","0.0007","11.7041","0.0007","17.0947","0.0006","76.621","0.001","78.267","0.001","81.452","0.001","2088.4","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H24 Cl4 F10 I2 P2 Pt2 -","- C38 H24 Cl4 F10 I2 P2 Pt2 -","- C76 H48 Cl8 F20 I4 P4 Pt4 -","2","1","","Ara, Irene; Chaouche, Naima; Forniés, Juan; Fortuño, Consuelo; Kribii, Abdelaziz; Tsipis, Athanassios C.","Formation of PPh2C6F5through Phosphido Platinum and/or Palladium(III) Intermediates","Organometallics","2006","25","5","1084","1091","10.1021/om0508029","","","0.71073","MoKα","","0.0447","0.0343","","","0.0705","0.0727","","","","","","0.941","","","","has coordinates","209870","2020-10-21","18:00:00",""
"4074695","12.693","0.0012","32.431","0.003","13.2218","0.0012","90","","100.196","0.002","90","","5356.8","0.9","120","2","120","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C78 H116 Cl4 F12 Fe2 O28 P8 Pd4 S4 -","- C78 H116 Cl4 F12 Fe2 O28 P8 Pd4 S4 -","- C156 H232 Cl8 F24 Fe4 O56 P16 Pd8 S8 -","2","0.5","","Kalsin, A. M.; Petrovsky, P. V.; Lyssenko, K. A.; Gusev, O. V.","Unusual Transformation of [Fe{η5-C5H4P(OEt)2}2Pd(H2O)2](OTf)2to a Hexanuclear Cyclopentadienylpalladium Complex","Organometallics","2006","25","8","1854","","10.1021/om050808y","","","0.71073","MoKα","","0.0856","0.0581","","","0.1253","0.1333","","","","","","1.077","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074696","20.822","0.0004","7.509","0.0002","16.866","0.0005","90","","93.181","0.001","90","","2632.98","0.12","200.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H36 Fe2 N2 P2 -","- C28 H36 Fe2 N2 P2 -","- C112 H144 Fe8 N8 P8 -","4","0.5","","Imamura, Yuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Stereoselective Synthesis and Coordination Behavior of Phosphorus-Bridged [1.1]Ferrocenophanes","Organometallics","2006","25","4","882","","10.1021/om050809q","","","0.7107","MoKα","","","0.0387","","","","0.0743","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074697","29.437","0.0004","12.692","0.0002","18.855","0.0002","90","","100.194","0.001","90","","6933.3","0.16","200.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H27.5 Cl6.5 Fe2 P2 Pd -","- C33.5 H28 Cl6.5 Fe2 P2 Pd -","- C268 H224 Cl52 Fe16 P16 Pd8 -","8","1","","Imamura, Yuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Stereoselective Synthesis and Coordination Behavior of Phosphorus-Bridged [1.1]Ferrocenophanes","Organometallics","2006","25","4","882","","10.1021/om050809q","","","0.7107","MoKα","","","0.0527","","","","0.1247","","","","","","1.219","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074698","12.171","0.0002","15.13","0.0003","10.034","0.0001","101.117","0.001","110.842","0.001","100.482","0.001","1629.97","0.05","200.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 Fe2 P2 Pd -","- C40 H38 Fe2 P2 Pd -","- C80 H76 Fe4 P4 Pd2 -","2","1","","Imamura, Yuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Stereoselective Synthesis and Coordination Behavior of Phosphorus-Bridged [1.1]Ferrocenophanes","Organometallics","2006","25","4","882","","10.1021/om050809q","","","0.7107","MoKα","","","0.0293","","","","0.0575","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074699","10.076","0.0001","16.395","0.0002","18.024","0.0003","95.883","0.001","100.267","0.001","92.234","0.001","2909.4","0.07","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H54 Cl5 Fe4 Ni2 P4 -","- C65 H54 Cl5 Fe4 Ni2 P4 -","- C130 H108 Cl10 Fe8 Ni4 P8 -","2","1","","Imamura, Yuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Stereoselective Synthesis and Coordination Behavior of Phosphorus-Bridged [1.1]Ferrocenophanes","Organometallics","2006","25","4","882","","10.1021/om050809q","","","0.71069","MoKα","","0.0773","0.054","","","0.1128","0.1223","","","","","","1.174","","","","has coordinates","178635","2020-10-21","18:00:00",""
"4074700","11.214","0.0002","11.444","0.0002","20.181","0.0003","74.412","0.001","86.102","0.001","65.723","0.001","2271.36","0.07","200.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C54 H46 Fe2 Mn2 O4 P2 -","- C54 H46 Fe2 Mn2 O4 P2 -","- C108 H92 Fe4 Mn4 O8 P4 -","2","1","","Imamura, Yuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Stereoselective Synthesis and Coordination Behavior of Phosphorus-Bridged [1.1]Ferrocenophanes","Organometallics","2006","25","4","882","","10.1021/om050809q","","","0.7107","MoKα","","","0.036","","","","0.0653","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074701","12.618","0.001","13.826","0.001","14.102","0.001","96.355","0.01","109.511","0.01","97.251","0.01","2269.4","0.3","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","1,1,1,1-[ethylene-N,N'-bis(2-oxy-4-methoxybenzophenone)iminato]- 2,5-diphenyl-2,5-diazasilolidine dioxane solvate","","- C52 H56 N4 O8 Si -","- C52 H56 N4 O8 Si -","- C104 H112 N8 O16 Si2 -","2","1","","Wagler, Jörg; Gerlach, Daniela; Böhme, Uwe; Roewer, Gerhard","Intramolecular Interligand Charge Transfer in Hexacoordinate Silicon Complexes","Organometallics","2006","25","12","2929","","10.1021/om050816e","","","0.71073","MoKα","","0.0853","0.0399","","","0.088","0.0999","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074702","17.669","0.005","20.229","0.006","21.957","0.007","90","","111.092","0.012","90","","7322","4","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1-bis[N-methyl-(2-oxy-4-methoxybenzophenone)iminato]- 2,5-diphenyl-2,5-diazasilolidine","","- C44 H42 N4 O4 Si -","- C44 H42 N4 O4 Si -","- C352 H336 N32 O32 Si8 -","8","2","","Wagler, Jörg; Gerlach, Daniela; Böhme, Uwe; Roewer, Gerhard","Intramolecular Interligand Charge Transfer in Hexacoordinate Silicon Complexes","Organometallics","2006","25","12","2929","","10.1021/om050816e","","","0.71073","MoKα","","0.0748","0.0432","","","0.1093","0.1203","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074703","6.415","0.0002","12.041","0.0005","19.022","0.001","90","","108.702","0.0014","90","","1391.74","0.1","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","ADG001B","","","- C14 H19 Cl O2 Ti -","- C14 H19 Cl O2 Ti -","- C56 H76 Cl4 O8 Ti4 -","4","1","","Dipasquale, Antonio G.; Hrovat, David A.; Mayer, James M.","Non-Redox Assisted Oxygen-Oxygen Bond Homolysis in Titanocene Alkylperoxide Complexes: [Cp(2)Ti(eta-OOBu)L], L = Cl, OTf, Br, OEt(2), Et(3)P.","Organometallics","2006","25","4","915","924","10.1021/om050818z","","","0.71073","MoKα","","0.0551","0.0393","","","0.1016","0.1083","","","","","","1.047","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074704","6.613","0.0003","11.883","0.0005","19.089","0.001","90","","109.089","0.0019","90","","1417.57","0.12","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","AGD006","AGD006","","- C14 H19 Br O2 Ti -","- C14 H19 Br O2 Ti -","- C56 H76 Br4 O8 Ti4 -","4","1","","Dipasquale, Antonio G.; Hrovat, David A.; Mayer, James M.","Non-Redox Assisted Oxygen-Oxygen Bond Homolysis in Titanocene Alkylperoxide Complexes: [Cp(2)Ti(eta-OOBu)L], L = Cl, OTf, Br, OEt(2), Et(3)P.","Organometallics","2006","25","4","915","924","10.1021/om050818z","","","0.71073","MoKα","","0.0843","0.0391","","","0.0658","0.0741","","","","","","0.969","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074705","15.302","0.003","15.983","0.003","17.352","0.003","90","","112.55","0.03","90","","3919.4","1.5","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H67 Al Si2 Zr -","- C36 H67 Al Si2 Zr -","- C144 H268 Al4 Si8 Zr4 -","4","1","","Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe","Simple Alumination Reactions of Pentamethylcyclopentadienyl Ligands in the Decamethylzirconocene−Bis(trimethylsilyl)acetylene Complex Cp*2Zr(η2-Me3SiC2SiMe3)","Organometallics","2006","25","2","519","","10.1021/om050821i","","","0.71073","MoKα","","0.0641","0.0386","","0.0927","0.0858","","","","0.917","1.026","1.026","","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074706","10.036","0.002","11.342","0.002","16.376","0.003","88.48","0.03","73.14","0.03","74.79","0.03","1719","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H57 Al Si2 Zr -","- C32 H57 Al Si2 Zr -","- C64 H114 Al2 Si4 Zr2 -","2","1","","Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe","Simple Alumination Reactions of Pentamethylcyclopentadienyl Ligands in the Decamethylzirconocene−Bis(trimethylsilyl)acetylene Complex Cp*2Zr(η2-Me3SiC2SiMe3)","Organometallics","2006","25","2","519","","10.1021/om050821i","","","0.71073","MoKα","","0.1195","0.0613","","","0.1334","0.1484","","","","","","0.867","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074707","15.935","0.003","17.504","0.003","29.098","0.005","90","","90","","90","","8116","2","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C41 H54 Ga Ti0.5 -","- C41 H54 Ga Ti0.5 -","- C328 H432 Ga8 Ti4 -","8","1","","Yang, Xiao-Juan; Wang, Yuzhong; Quillian, Brandon; Wei, Pingrong; Chen, Zhongfang; Schleyer, Paul v. R.; Robinson, Gregory H.","Syntheses, Structures, and Bonding of Cp2M(ER)2Compounds (Cp = C5H5; M = Ti, Zr; E = Ga, In; R = C6H3-2,6-(2,4,6-i-Pr3C6H2)2)","Organometallics","2006","25","4","925","","10.1021/om050825n","","","0.71073","MoKα","","0.0773","0.0502","","","0.1394","0.1748","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074708","15.7984","0.0008","17.7455","0.0009","29.5189","0.0015","90","","90","","90","","8275.6","0.7","273","2","273","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C41 H54 In Ti0.5 -","- C41 H54 In Ti0.5 -","- C328 H432 In8 Ti4 -","8","1","","Yang, Xiao-Juan; Wang, Yuzhong; Quillian, Brandon; Wei, Pingrong; Chen, Zhongfang; Schleyer, Paul v. R.; Robinson, Gregory H.","Syntheses, Structures, and Bonding of Cp2M(ER)2Compounds (Cp = C5H5; M = Ti, Zr; E = Ga, In; R = C6H3-2,6-(2,4,6-i-Pr3C6H2)2)","Organometallics","2006","25","4","925","","10.1021/om050825n","","","0.71073","MoKα","","0.0678","0.049","","","0.1564","0.1999","","","","","","1.088","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074709","15.6959","0.0015","17.7203","0.0017","29.497","0.003","90","","90","","90","","8204.2","1.4","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C41 H54 In Zr0.5 -","- C41 H54 In Zr0.5 -","- C328 H432 In8 Zr4 -","8","1","","Yang, Xiao-Juan; Wang, Yuzhong; Quillian, Brandon; Wei, Pingrong; Chen, Zhongfang; Schleyer, Paul v. R.; Robinson, Gregory H.","Syntheses, Structures, and Bonding of Cp2M(ER)2Compounds (Cp = C5H5; M = Ti, Zr; E = Ga, In; R = C6H3-2,6-(2,4,6-i-Pr3C6H2)2)","Organometallics","2006","25","4","925","","10.1021/om050825n","","","0.71073","MoKα","","0.0741","0.0423","","","0.1052","0.1333","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074710","7.5169","0.0001","11.5414","0.0001","13.8896","0.0001","96.36","","93.272","0.001","107.103","0.001","1139.51","0.02","220","2","220","2","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C28 H25 P Pd -","- C28 H25 P Pd -","- C56 H50 P2 Pd2 -","2","1","","Sui-Seng, Christine; Groux, Laurent F.; Zargarian, Davit","Synthesis and Reactivities of Neutral and Cationic Indenyl−Palladium Complexes","Organometallics","2006","25","3","571","","10.1021/om050826f","","","1.54178","CuKα","","0.0296","0.0287","","","0.0747","0.0752","","","","","","1.053","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074711","11.685","0.005","20.765","0.011","15.709","0.006","90","","95.89","0.03","90","","3791","3","293","2","293","2","","","","","","","Synthesized by the authors. See text","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H37 B F4 P2 Pd -","- C45 H37 B F4 P2 Pd -","- C180 H148 B4 F16 P8 Pd4 -","4","1","","Sui-Seng, Christine; Groux, Laurent F.; Zargarian, Davit","Synthesis and Reactivities of Neutral and Cationic Indenyl−Palladium Complexes","Organometallics","2006","25","3","571","","10.1021/om050826f","","","1.54178","CuKα","","0.1428","0.0475","","","0.0663","0.0873","","","","","","0.643","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074712","11.893","0.0001","14.2475","0.0001","14.2624","0.0001","75.97","0.001","84.247","0.001","68.763","0.001","2185.18","0.03","220","2","220","2","","","","","","","Synthesized by the authors. See text","7","P -1","-P 1","2","","","","- C47.5 H42 B Cl3 F4 P2 Pd -","- C47.5 H42 B Cl3 F4 P2 Pd -","- C95 H84 B2 Cl6 F8 P4 Pd2 -","2","1","","Sui-Seng, Christine; Groux, Laurent F.; Zargarian, Davit","Synthesis and Reactivities of Neutral and Cationic Indenyl−Palladium Complexes","Organometallics","2006","25","3","571","","10.1021/om050826f","","","1.54178","CuKα","","0.0479","0.0435","","","0.1186","0.1223","","","","","","1.003","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074713","10.3261","0.0001","11.2327","0.0002","23.9756","0.0003","80.607","0.001","87.53","0.001","74.077","0.001","2638.37","0.06","220","2","220","2","","","","","","","Synthesized by the authors. See text","7","P -1","-P 1","2","","","","- C28 H22 F3 O3 P Pd S -","- C28 H22 F3 O3 P Pd S -","- C112 H88 F12 O12 P4 Pd4 S4 -","4","2","","Sui-Seng, Christine; Groux, Laurent F.; Zargarian, Davit","Synthesis and Reactivities of Neutral and Cationic Indenyl−Palladium Complexes","Organometallics","2006","25","3","571","","10.1021/om050826f","","","1.54178","CuKα","","0.0567","0.0421","","","0.1046","0.1124","","","","","","0.955","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074714","9.718","0.003","14.501","0.004","18.768","0.005","85.523","0.004","82.419","0.004","74.328","0.004","2521.7","1.2","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C57.5 H18 B F28 -","- C57.64 H15 B F28 -","- C115.28 H30 B2 F56 -","2","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.1749","0.0678","","","0.1718","0.2292","","","","","","0.879","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074715","12.6562","0.0011","13.2621","0.0012","30.7946","0.0027","85.8182","0.0015","87.6169","0.0016","76.1506","0.0015","5003.6","0.8","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C105 H30 Al3 F47 -","- C105 H30 Al3 F47 -","- C210 H60 Al6 F94 -","2","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71069","MoKα","","0.1399","0.0815","","","0.2389","0.2808","","","","","","1.018","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074716","13.3346","0.0013","14.3315","0.0014","21.134","0.002","90.371","0.002","104.966","0.002","94.913","0.002","3885.8","0.7","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C83.5 H19 Al2 F43 -","- C83.5 H19 Al2 F43 -","- C167 H38 Al4 F86 -","2","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.1505","0.075","","","0.2195","0.266","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074717","15.975","0.002","14.134","0.002","23.14","0.003","90","","101.368","0.002","90","","5122.3","1.2","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H15 F31 Ga2 -","- C55 H15 F31 Ga2 -","- C220 H60 F124 Ga8 -","4","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.1278","0.049","","","0.1068","0.1401","","","","","","0.961","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074718","12.3098","0.0008","7.8476","0.0005","33.702","0.002","90","","97.732","0.001","90","","3226.1","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H15 Al Cl F15 -","- C37 H15 Al Cl F15 -","- C148 H60 Al4 Cl4 F60 -","4","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.0688","0.045","","","0.1094","0.1249","","","","","","1.034","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074719","12.51","0.009","7.896","0.005","33.79","0.02","90","","97.512","0.014","90","","3309","4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H15 Al Br F15 -","- C37 H15 Al Br F15 -","- C148 H60 Al4 Br4 F60 -","4","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.1278","0.0484","","","0.0995","0.1402","","","","","","0.932","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074720","16.0202","0.0016","16.9357","0.0017","17.3241","0.0017","112.792","0.002","106.482","0.002","101.012","0.002","3907.1","0.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C94 H58 B F29 Zr2 -","- C94 H58 B F29 Zr2 -","- C188 H116 B2 F58 Zr4 -","2","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.1045","0.0507","","","0.1162","0.1476","","","","","","0.973","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074721","11.9646","0.0008","21.1165","0.0014","30.68","0.002","90","","101.237","0.001","90","","7602.7","0.9","153","2","153","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43.5 H21 Al F15.5 Zr -","- C43.5 H21 Al F15.5 Zr -","- C348 H168 Al8 F124 Zr8 -","8","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.0747","0.0463","","","0.1161","0.136","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074722","12.947","0.002","17.518","0.003","23.134","0.004","84.617","0.003","79.768","0.003","84.966","0.003","5127.2","1.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C111 H50 Al2 F43 Zr2 -","- C110.26 H50 Al2 F43 Zr2 -","- C220.52 H100 Al4 F86 Zr4 -","2","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.3386","0.1069","","","0.2752","0.3823","","","","","","0.877","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074723","8.7197","0.0015","15.908","0.003","15.612","0.003","90","","91.03","0.003","90","","2165.2","0.7","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H36 Cl2 F10 Zr2 -","- C54 H36 Cl2 F10 Zr2 -","- C108 H72 Cl4 F20 Zr4 -","2","0.5","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.1234","0.0615","","","0.1513","0.1814","","","","","","0.981","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074724","14.145","0.004","14.57","0.004","15.542","0.004","111.423","0.005","100.32","0.005","112.691","0.005","2552.9","1.2","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.5 H18 Al Br F20 Zr -","- C48.5 H18 Al Br F20 Zr -","- C97 H36 Al2 Br2 F40 Zr2 -","2","1","","Chen, Ming-Chou; Roberts, John A. S.; Seyam, Afif M.; Li, Liting; Zuccaccia, Cristiano; Stahl, Nicholas G.; Marks, Tobin J.","Diversity in Weakly Coordinating Anions. Mono- and Polynuclear Halo(perfluoroaryl)metalates as Cocatalysts for Stereospecific Olefin Polymerization: Synthesis, Structure, and Reactivity","Organometallics","2006","25","11","2833","","10.1021/om0508334","","","0.71073","MoKα","","0.1687","0.089","","","0.2469","0.3004","","","","","","0.966","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074725","10.95","0.001","11.2767","0.0008","12.122","0.001","101.256","0.003","92.958","0.004","103.578","0.006","1419.5","0.2","223.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C68 H58 O2 P2 Pt2 S2 -","- C136 H116 O4 P4 Pt4 S4 -","- C136 H116 O4 P4 Pt4 S4 -","1","0.5","","Minami, Yasunori; Kato, Tomohiro; Kuniyasu, Hitoshi; Terao, Jun; Kambe, Nobuaki","Reactions of α,β-Unsaturated Thioesters with Platinum(0): Implication of a Dual Mechanism Leading to the Formation of Acyl Platinum†","Organometallics","2006","25","12","2949","","10.1021/om050834w","","","0.7107","MoKα","","","0.0395","","","","0.1056","","","","","","1.758","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074726","12.4467","0.0016","13.9013","0.0016","32.399","0.004","90","","91.951","0.004","90","","5602.6","1.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H42 Si4 Zr -","- C22 H42 Si4 Zr -","- C176 H336 Si32 Zr8 -","8","2","","Bernskoetter, Wesley H.; Pool, Jaime A.; Lobkovsky, Emil; Chirik, Paul J.","Carbon‒Hydrogen Bond Activation with a Cyclometalated Zirconocene Hydride: Mechanistic Differences between Arene and Alkane Reductive Elimination","Organometallics","2006","25","5","1092","1100","10.1021/om0508379","","","0.71073","MoKα","","0.073","0.0599","","","0.1137","0.1178","","","","","","1.203","","","","has coordinates","209831","2020-10-21","18:00:00",""
"4074727","29.984","0.007","9.152","0.002","20.813","0.005","90","","108.594","0.005","90","","5413","2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H40 Si4 Zr -","- C22 H40 Si4 Zr -","- C176 H320 Si32 Zr8 -","8","1","","Bernskoetter, Wesley H.; Pool, Jaime A.; Lobkovsky, Emil; Chirik, Paul J.","Carbon‒Hydrogen Bond Activation with a Cyclometalated Zirconocene Hydride: Mechanistic Differences between Arene and Alkane Reductive Elimination","Organometallics","2006","25","5","1092","1100","10.1021/om0508379","","","0.71073","MoKα","","0.0557","0.037","","","0.0776","0.0838","","","","","","1.066","","","","has coordinates","209831","2020-10-21","18:00:00",""
"4074728","11.9916","0.0007","15.6633","0.0009","15.3898","0.0008","90","","99.528","0.002","90","","2850.8","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H43 O0.5 Si4 Zr -","- C22 H43 O0.5 Si4 Zr -","- C88 H172 O2 Si16 Zr4 -","4","1","","Bernskoetter, Wesley H.; Pool, Jaime A.; Lobkovsky, Emil; Chirik, Paul J.","Carbon‒Hydrogen Bond Activation with a Cyclometalated Zirconocene Hydride: Mechanistic Differences between Arene and Alkane Reductive Elimination","Organometallics","2006","25","5","1092","1100","10.1021/om0508379","","","0.71073","MoKα","","0.0523","0.0387","","","0.0823","0.0875","","","","","","1.063","","","","has coordinates","209831","2020-10-21","18:00:00",""
"4074729","11.9803","0.0004","15.6603","0.0005","15.3767","0.0006","90","","99.467","0.001","90","","2845.61","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H43 O0.5 Si4 Zr -","- C22 H43 O0.5 Si4 Zr -","- C88 H172 O2 Si16 Zr4 -","4","1","","Bernskoetter, Wesley H.; Pool, Jaime A.; Lobkovsky, Emil; Chirik, Paul J.","Carbon‒Hydrogen Bond Activation with a Cyclometalated Zirconocene Hydride: Mechanistic Differences between Arene and Alkane Reductive Elimination","Organometallics","2006","25","5","1092","1100","10.1021/om0508379","","","0.71073","MoKα","","0.0471","0.0353","","","0.0917","0.0972","","","","","","1.057","","","","has coordinates","209831","2020-10-21","18:00:00",""
"4074730","11.0279","0.0016","19.913","0.003","18.382","0.003","90","","104.107","0.002","90","","3914.9","1","300","2","300","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H22 O12 Os3 P2 -","- C39 H22 O12 Os3 P2 -","- C156 H88 O48 Os12 P8 -","4","1","","Watson, William H.; Wu, Guanmin; Richmond, Michael G.","Diphosphine Isomerization and C−H and P−C Bond Cleavage Reactivity in the Triosmium Cluster Os3(CO)10(bpcd): Kinetic and Isotope Data for Reversible Ortho Metalation and X-ray Structures of the Bridging and Chelating Isomers of Os3(CO)10(bpcd) and the Benzyne-Substituted Cluster HOs3(CO)8(μ3-C6H4)[μ2,η1-PPhCC(PPh2)C(O)CH2C(O)]†","Organometallics","2006","25","4","930","","10.1021/om050839t","","","0.71073","MoKα","","0.0336","0.0249","","","0.0582","0.0619","","","","","","0.966","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074731","22.35","0.006","11.511","0.003","17.383","0.005","90","","111.281","0.005","90","","4167","2","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H29 O10 Os3 P2 -","- C44 H29 O10 Os3 P2 -","- C176 H116 O40 Os12 P8 -","4","1","","Watson, William H.; Wu, Guanmin; Richmond, Michael G.","Diphosphine Isomerization and C−H and P−C Bond Cleavage Reactivity in the Triosmium Cluster Os3(CO)10(bpcd): Kinetic and Isotope Data for Reversible Ortho Metalation and X-ray Structures of the Bridging and Chelating Isomers of Os3(CO)10(bpcd) and the Benzyne-Substituted Cluster HOs3(CO)8(μ3-C6H4)[μ2,η1-PPhCC(PPh2)C(O)CH2C(O)]†","Organometallics","2006","25","4","930","","10.1021/om050839t","","","0.71073","MoKα","","0.1181","0.078","","","0.1643","0.1809","","","","","","0.993","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074732","14.031","0.004","30.894","0.01","11.881","0.004","90","","115.05","0.02","90","","4666","3","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H22 O12 Os3 P2 -","- C47 H22 O12 Os3 P2 -","- C188 H88 O48 Os12 P8 -","4","1","","Watson, William H.; Wu, Guanmin; Richmond, Michael G.","Diphosphine Isomerization and C−H and P−C Bond Cleavage Reactivity in the Triosmium Cluster Os3(CO)10(bpcd): Kinetic and Isotope Data for Reversible Ortho Metalation and X-ray Structures of the Bridging and Chelating Isomers of Os3(CO)10(bpcd) and the Benzyne-Substituted Cluster HOs3(CO)8(μ3-C6H4)[μ2,η1-PPhCC(PPh2)C(O)CH2C(O)]†","Organometallics","2006","25","4","930","","10.1021/om050839t","","","0.71073","MoKα","","0.1031","0.0477","","","0.0782","0.088","","","","","","0.923","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074733","9.286","0.003","17.711","0.006","17.903","0.006","61.037","0.014","81.471","0.014","78.713","0.015","2521.4","1.5","98","","98","","","","","","","","","4","P -1","-P 1","2","","","","- C27.22 H29.22 Cl2 Zr -","- C27.224 H29.224 Cl2 Zr -","- C108.896 H116.896 Cl8 Zr4 -","4","2","","Miller, Stephen A.; Bercaw, John E.","Mechanism of Isotactic Polypropylene Formation withC1-Symmetric Metallocene Catalysts","Organometallics","2006","25","15","3576","","10.1021/om050841k","","","0.71073","MoKα","","0.6696","0.1142","","","0.1959","0.3262","","","","","","0.744","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074734","13.4972","0.0009","11.6567","0.0008","13.6483","0.0009","90","","109.357","0.001","90","","2025.9","0.2","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H24 Fe2 N2 -","- C25 H24 Fe2 N2 -","- C100 H96 Fe8 N8 -","4","2","","Bertogg, Andreas; Togni, Antonio","A Novel Chiral Ferrocene-Based Amidine/Amidinato Ligand and Its Rhodium Complexes","Organometallics","2006","25","3","622","630","10.1021/om050845p","","","0.71073","MoKα","","0.0529","0.0464","","","0.1026","0.1056","","","","","","0.975","","","","has coordinates","209869","2020-10-21","18:00:00",""
"4074735","30.0424","0.0018","11.6907","0.0007","17.6982","0.001","90","","121.906","0.001","90","","5276.8","0.5","200","2","200","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C50 H48 Cl Fe2 N2 P2 Rh -","- C50 H48 Cl Fe2 N2 P2 Rh -","- C200 H192 Cl4 Fe8 N8 P8 Rh4 -","4","1","","Bertogg, Andreas; Togni, Antonio","A Novel Chiral Ferrocene-Based Amidine/Amidinato Ligand and Its Rhodium Complexes","Organometallics","2006","25","3","622","630","10.1021/om050845p","","","0.71073","MoKα","","0.0845","0.0744","","","0.2103","0.2205","","","","","","1.158","","","","has coordinates","209869","2020-10-21","18:00:00",""
"4074736","10.045","0.0017","14.974","0.003","16.593","0.004","107.298","0.019","101.259","0.017","99.948","0.016","2265","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C54 H50 B Cl2 N2 P Ru -","- C54 H50 B Cl2 N2 P Ru -","- C108 H100 B2 Cl4 N4 P2 Ru2 -","2","1","","Geldbach, Tilmann J.; Laurenczy, Gábor; Scopelliti, Rosario; Dyson, Paul J.","Synthesis of Imidazolium-Tethered Ruthenium(II)-Arene Complexes and Their Application in Biphasic Catalysis","Organometallics","2006","25","3","733","","10.1021/om050849u","","","0.71073","MoKα","","0.0991","0.0596","","","0.1415","0.1603","","","","","","0.903","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074737","9.2984","0.0015","9.7207","0.0018","20.453","0.003","86.374","0.014","87.931","0.013","64.96","0.016","1671.5","0.5","140","2","140","2","","","","","","","","7","P -1","-P 1","2","","","","- C66 H70 Cl8 N6 P2 Pd Ru2 -","- C66 H70 Cl8 N6 P2 Pd Ru2 -","- C66 H70 Cl8 N6 P2 Pd Ru2 -","1","0.5","","Geldbach, Tilmann J.; Laurenczy, Gábor; Scopelliti, Rosario; Dyson, Paul J.","Synthesis of Imidazolium-Tethered Ruthenium(II)-Arene Complexes and Their Application in Biphasic Catalysis","Organometallics","2006","25","3","733","","10.1021/om050849u","","","0.71073","MoKα","","0.1191","0.0554","","","0.1103","0.1268","","","","","","0.779","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074738","9.8915","0.0004","28.6704","0.0016","17.3285","0.0011","90","","100.768","0.005","90","","4827.7","0.5","140","2","140","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H56 B Cl2 N2 P Ru -","- C57 H56 B Cl2 N2 P Ru -","- C228 H224 B4 Cl8 N8 P4 Ru4 -","4","1","","Geldbach, Tilmann J.; Laurenczy, Gábor; Scopelliti, Rosario; Dyson, Paul J.","Synthesis of Imidazolium-Tethered Ruthenium(II)-Arene Complexes and Their Application in Biphasic Catalysis","Organometallics","2006","25","3","733","","10.1021/om050849u","","","0.71073","MoKα","","0.069","0.0461","","","0.1082","0.1205","","","","","","1.05","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074739","8.4686","0.0008","8.6857","0.0011","10.858","0.0011","76.064","0.01","87.346","0.008","84.323","0.009","771.15","0.15","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 Cl2 N2 Ru -","- C15 H20 Cl2 N2 Ru -","- C30 H40 Cl4 N4 Ru2 -","2","1","","Geldbach, Tilmann J.; Laurenczy, Gábor; Scopelliti, Rosario; Dyson, Paul J.","Synthesis of Imidazolium-Tethered Ruthenium(II)-Arene Complexes and Their Application in Biphasic Catalysis","Organometallics","2006","25","3","733","","10.1021/om050849u","","","0.71073","MoKα","","0.0374","0.0346","","","0.0908","0.0921","","","","","","1.107","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074740","9.653","0.004","30.884","0.01","10.1847","0.0008","90","","97.648","0.016","90","","3009.3","1.6","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 B N2 -","- C37 H39 B N2 -","- C148 H156 B4 N8 -","4","1","","Geldbach, Tilmann J.; Laurenczy, Gábor; Scopelliti, Rosario; Dyson, Paul J.","Synthesis of Imidazolium-Tethered Ruthenium(II)-Arene Complexes and Their Application in Biphasic Catalysis","Organometallics","2006","25","3","733","","10.1021/om050849u","","","0.71073","MoKα","","0.0987","0.0686","","","0.1593","0.1857","","","","","","1.093","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074741","6.6668","0.0007","13.4716","0.0013","11.5792","0.0011","90","","91.366","0.001","90","","1039.66","0.18","143","1","143","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H28 B20 -","- C8 H28 B20 -","- C16 H56 B40 -","2","0.5","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Homo and Cross Metathesis Reactions of Alkenylpolyboranes: New Routes to Functionalo-Carborane and Decaborane Derivatives","Organometallics","2006","25","3","609","","10.1021/om050851l","","","0.71069","MoKα","","0.0505","0.0464","","","0.1242","0.1286","","","","","","1.061","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074742","11.0159","0.0011","12.3665","0.0015","12.6098","0.0015","113.458","0.002","94.507","0.002","100.69","0.002","1526.2","0.3","143","1","143","1","","","","","","","","3","P -1","-P 1","2","","","","- C11 H20 B10 -","- C11 H20 B10 -","- C44 H80 B40 -","4","2","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Homo and Cross Metathesis Reactions of Alkenylpolyboranes: New Routes to Functionalo-Carborane and Decaborane Derivatives","Organometallics","2006","25","3","609","","10.1021/om050851l","","","0.71069","MoKα","","0.0638","0.0525","","","0.1312","0.1401","","","","","","1.059","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074743","11.3607","0.001","12.2813","0.0011","14.8379","0.0013","95.676","0.002","99.914","0.002","100.532","0.002","1986.7","0.3","143","1","143","1","","","","","","","","4","P -1","-P 1","2","","","","- C12 H29 B11 O2 -","- C12 H29 B11 O2 -","- C48 H116 B44 O8 -","4","2","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Homo and Cross Metathesis Reactions of Alkenylpolyboranes: New Routes to Functionalo-Carborane and Decaborane Derivatives","Organometallics","2006","25","3","609","","10.1021/om050851l","","","0.71069","MoKα","","0.1033","0.0835","","","0.22","0.2397","","","","","","1.099","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074744","8.5581","0.0005","10.3974","0.0008","20.5774","0.0015","90","","90","","90","","1831","0.2","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H27 B10 N O2 -","- C11 H27 B10 N O2 -","- C44 H108 B40 N4 O8 -","4","1","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Homo and Cross Metathesis Reactions of Alkenylpolyboranes: New Routes to Functionalo-Carborane and Decaborane Derivatives","Organometallics","2006","25","3","609","","10.1021/om050851l","","","0.71069","MoKα","","0.05","0.0464","","","0.1476","0.1602","","","","","","1.167","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074745","16.9806","0.0015","19.8734","0.0017","6.9346","0.0006","90","","90","","90","","2340.2","0.4","143","1","143","1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C9 H36 B20 -","- C9 H36 B20 -","- C36 H144 B80 -","4","1","","Wei, Xiaolan; Carroll, Patrick J.; Sneddon, Larry G.","Ruthenium-Catalyzed Homo and Cross Metathesis Reactions of Alkenylpolyboranes: New Routes to Functionalo-Carborane and Decaborane Derivatives","Organometallics","2006","25","3","609","","10.1021/om050851l","","","0.71069","MoKα","","0.0945","0.0766","","","0.1956","0.2179","","","","","","0.985","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074746","18.489","0.004","21.169","0.004","18.701","0.004","90","","112.47","0.03","90","","6764","3","373","2","373","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12.5 H22 Au Cl N3 O1.75 P -","- C12.5 H22 Au Cl N3 O1.75 P -","- C200 H352 Au16 Cl16 N48 O28 P16 -","16","4","","Mohr, Fabian; Cerrada, Elena; Laguna, Mariano","Organometallic Gold(I) and Gold(III) Complexes Containing 1,3,5-Triaza-7-phosphaadamantane (TPA): Examples of Water-Soluble Organometallic Gold Compounds","Organometallics","2006","25","3","644","","10.1021/om050852d","","","0.71073","MoKα","","0.0707","0.0512","","","0.1382","0.1448","","","","","","1.034","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074747","10.256","0.002","13.206","0.003","20.794","0.004","79.12","0.03","76.88","0.03","71.28","0.03","2577.1","1.1","150","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H12 Au F15 N3 P -","- C24 H12 Au F15 N3 P -","- C96 H48 Au4 F60 N12 P4 -","4","2","","Mohr, Fabian; Cerrada, Elena; Laguna, Mariano","Organometallic Gold(I) and Gold(III) Complexes Containing 1,3,5-Triaza-7-phosphaadamantane (TPA): Examples of Water-Soluble Organometallic Gold Compounds","Organometallics","2006","25","3","644","","10.1021/om050852d","","","0.71073","MoKα","","0.0224","0.018","","","0.0393","0.0403","","","","","","1.007","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074748","11.8489","0.0012","15.9777","0.0016","16.0975","0.0016","90","","90","","90","","3047.5","0.5","120","2","120","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H58 N P2 Ru Si2 -","- C24 H58 N P2 Ru Si2 -","- C96 H232 N4 P8 Ru4 Si8 -","4","1","","Ingleson, Michael J.; Pink, Maren; Huffman, John C.; Fan, Hongjun; Caulton, Kenneth G.","[(tBu2PCH2SiMe2)2N]RuMe2: Synthesis and Reactivity of an Unsaturated Ruthenium Dialkyl Radical Species","Organometallics","2006","25","5","1112","1119","10.1021/om0508536","","","0.71073","MoKα","","0.0273","0.0258","","","0.0689","0.07","","","","","","1.088","","","","has coordinates","209841","2020-10-21","18:00:00",""
"4074749","16.0426","0.0007","12.9141","0.0006","16.5029","0.0008","90","","114.775","0.001","90","","3104.3","0.2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C23 H55 Cl N2 O P2 Ru Si2 -","- C23 H55 Cl N2 O P2 Ru Si2 -","- C92 H220 Cl4 N8 O4 P8 Ru4 Si8 -","4","1","","Ingleson, Michael J.; Pink, Maren; Huffman, John C.; Fan, Hongjun; Caulton, Kenneth G.","[(tBu2PCH2SiMe2)2N]RuMe2: Synthesis and Reactivity of an Unsaturated Ruthenium Dialkyl Radical Species","Organometallics","2006","25","5","1112","1119","10.1021/om0508536","","","0.71073","MoKα","","0.0383","0.0307","","","0.077","0.0815","","","","","","1.03","","","","has coordinates,has disorder","209841","2020-10-21","18:00:00",""
"4074750","10.1346","0.0011","29.621","0.003","11.2384","0.0012","90","","109.978","0.003","90","","3170.7","0.6","130","2","130","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H55 N O2 P2 Ru Si2 -","- C25 H55 N O2 P2 Ru Si2 -","- C100 H220 N4 O8 P8 Ru4 Si8 -","4","1","","Ingleson, Michael J.; Pink, Maren; Huffman, John C.; Fan, Hongjun; Caulton, Kenneth G.","[(tBu2PCH2SiMe2)2N]RuMe2: Synthesis and Reactivity of an Unsaturated Ruthenium Dialkyl Radical Species","Organometallics","2006","25","5","1112","1119","10.1021/om0508536","","","0.71073","MoKα","","0.0654","0.0574","","","0.1303","0.1341","","","","","","1.186","","","","has coordinates","209841","2020-10-21","18:00:00",""
"4074751","12.533","0.003","17.061","0.004","47.05","0.011","90","","92.91","0.006","90","","10048","4","130","2","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C71 H168 I6 N3 P6 Ru3 Si6 -","- C71 H168 I6 N3 P6 Ru3 Si6 -","- C284 H672 I24 N12 P24 Ru12 Si24 -","4","1","","Ingleson, Michael J.; Pink, Maren; Huffman, John C.; Fan, Hongjun; Caulton, Kenneth G.","[(tBu2PCH2SiMe2)2N]RuMe2: Synthesis and Reactivity of an Unsaturated Ruthenium Dialkyl Radical Species","Organometallics","2006","25","5","1112","1119","10.1021/om0508536","","","0.71073","MoKα","","0.0565","0.039","","","0.0918","0.0985","","","","","","1.022","","","","has coordinates,has disorder","209841","2020-10-21","18:00:00",""
"4074752","13.978","0.001","15.035","0.001","15.397","0.001","89.736","0.001","72","0.001","88.186","0.001","3075.9","0.4","117.2","","","","","","","","","","","8","P -1","-P 1","2","","","","- C61 H31 B F20 N2 P Rh Si -","- C61 H31 B F20 N2 P Rh Si -","- C122 H62 B2 F40 N4 P2 Rh2 Si2 -","2","1","","Sangtrirutnugul, Preeyanuch; Stradiotto, Mark; Tilley, T. Don","Rhodium Complexes Containing a Tridentate Bis(8-quinolyl)methylsilyl Ligand: Synthesis and Reactivity","Organometallics","2006","25","7","1607","","10.1021/om050859v","","","0.7107","MoKα","","0.071","0.0711","","0.1167","","0.1167","","","","","","3.661","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074753","9.477","0.001","20.539","0.002","18.039","0.002","90","0.001","94.124","0.002","90","0.001","3502.2","0.6","141.2","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C38 H32 Cl4 N2 P Rh Si -","- C38 H32 Cl4 N2 P Rh Si -","- C152 H128 Cl16 N8 P4 Rh4 Si4 -","4","1","","Sangtrirutnugul, Preeyanuch; Stradiotto, Mark; Tilley, T. Don","Rhodium Complexes Containing a Tridentate Bis(8-quinolyl)methylsilyl Ligand: Synthesis and Reactivity","Organometallics","2006","25","7","1607","","10.1021/om050859v","","","0.7107","MoKα","","0.0494","0.0494","","0.056","","0.056","","","","","","1.206","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074754","15.259","0.0005","12.4368","0.0003","17.4895","0.0005","90","0.001","91.318","0.001","90","0.001","3318.16","0.17","140.2","","","","","","","","","","","8","P 1 21/a 1","-P 2yab","14","","","","- C27 H24 F6 N5 O6 Rh S2 Si -","- C27 H24 F6 N5 O6 Rh S2 Si -","- C108 H96 F24 N20 O24 Rh4 S8 Si4 -","4","1","","Sangtrirutnugul, Preeyanuch; Stradiotto, Mark; Tilley, T. Don","Rhodium Complexes Containing a Tridentate Bis(8-quinolyl)methylsilyl Ligand: Synthesis and Reactivity","Organometallics","2006","25","7","1607","","10.1021/om050859v","","","0.7107","MoKα","","0.0456","0.0456","","0.0472","","0.0472","","","","","","1.664","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074755","10.9926","0.0001","17.7159","0.0003","15.9508","0.0001","90","0.001","101.367","0.001","90","0.001","3045.39","0.06","147.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H37 N2 O Rh Si -","- C37 H37 N2 O Rh Si -","- C148 H148 N8 O4 Rh4 Si4 -","4","1","","Sangtrirutnugul, Preeyanuch; Stradiotto, Mark; Tilley, T. Don","Rhodium Complexes Containing a Tridentate Bis(8-quinolyl)methylsilyl Ligand: Synthesis and Reactivity","Organometallics","2006","25","7","1607","","10.1021/om050859v","","","0.7107","MoKα","","0.0334","0.0334","","0.0351","","0.0351","","","","","","1.326","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074756","8.081","0.002","19.357","0.004","14.929","0.003","90","","101.82","0.03","90","","2285.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H74 Al6 O4 Si4 -","- C24 H74 Al6 O4 Si4 -","- C48 H148 Al12 O8 Si8 -","2","0.5","","Veith, Michael; Frères, Jacqueline; Huch, Volker; Zimmer, Michael","Synthesis and Characterization of Novel Siloxyalanes","Organometallics","2006","25","8","1875","","10.1021/om0508637","","","0.71073","MoKα","","0.067","0.0535","","","0.1511","0.1615","","","","","","1.069","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074757","10.48","0.002","16.344","0.003","22.31","0.004","90","","90","","90","","3821.4","1.2","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C24 H62 Al2 O4 Si4 -","- C24 H62 Al2 O4 Si4 -","- C96 H248 Al8 O16 Si16 -","4","0.5","","Veith, Michael; Frères, Jacqueline; Huch, Volker; Zimmer, Michael","Synthesis and Characterization of Novel Siloxyalanes","Organometallics","2006","25","8","1875","","10.1021/om0508637","","","0.71073","MoKα","","0.0802","0.0661","","","0.151","0.1621","","","","","","1.084","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074758","15.432","0.003","16.281","0.003","17.126","0.003","90","","115.36","0.03","90","","3888.2","1.6","253","2","253","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C41 H39 Cl2 D6 N O3 Zr -","- C41 H45 Cl2 N O3 Zr -","- C164 H180 Cl8 N4 O12 Zr4 -","4","1","","Chan, Michael C. W.; Tam, Ka-Ho; Zhu, Nianyong; Chiu, Pauline; Matsui, Shigekazu","Synthesis, Structures, and Olefin Polymerization Characteristics of Group 4 Catalysts [Zr{(OAr)2py}Cl2(D)] (D = O-Donors, Cl[HPR3]) Supported by Tridentate Pyridine-2,6-bis(aryloxide) Ligands","Organometallics","2006","25","3","785","","10.1021/om050864z","","","0.71069","MoKα","","0.0583","0.0359","","","0.0921","0.1104","","","","","","0.986","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074759","10.743","0.002","18.631","0.004","19.868","0.004","81.32","0.03","81.24","0.03","78.01","0.03","3815.1","1.4","253","2","253","2","","","","","","","","6","P -1","-P 1","2","","","","- C41.75 H43 Cl2 N O3 Zr -","- C41.75 H42.75 Cl2 N O3 Zr -","- C167 H171 Cl8 N4 O12 Zr4 -","4","2","","Chan, Michael C. W.; Tam, Ka-Ho; Zhu, Nianyong; Chiu, Pauline; Matsui, Shigekazu","Synthesis, Structures, and Olefin Polymerization Characteristics of Group 4 Catalysts [Zr{(OAr)2py}Cl2(D)] (D = O-Donors, Cl[HPR3]) Supported by Tridentate Pyridine-2,6-bis(aryloxide) Ligands","Organometallics","2006","25","3","785","","10.1021/om050864z","","","0.71073","MoKα","","0.0947","0.057","","","0.142","0.1605","","","","","","0.96","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074760","12.324","0.003","17.074","0.003","17.421","0.004","90","","96.72","0.03","90","","3640.5","1.4","253","2","253","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H47 Cl3 N O2 P Zr -","- C33 H47 Cl3 N O2 P Zr -","- C132 H188 Cl12 N4 O8 P4 Zr4 -","4","1","","Chan, Michael C. W.; Tam, Ka-Ho; Zhu, Nianyong; Chiu, Pauline; Matsui, Shigekazu","Synthesis, Structures, and Olefin Polymerization Characteristics of Group 4 Catalysts [Zr{(OAr)2py}Cl2(D)] (D = O-Donors, Cl[HPR3]) Supported by Tridentate Pyridine-2,6-bis(aryloxide) Ligands","Organometallics","2006","25","3","785","","10.1021/om050864z","","","0.71069","MoKα","","0.0619","0.0405","","","0.1037","0.1088","","","","","","0.998","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074761","18.376","0.003","18.376","0.003","29.187","0.006","90","","90","","90","","9856","3","301","2","301","2","","","","","","","","5","I 41/a c d :2","-I 4bd 2c","142","","","","- C54 H62 N2 O4 Zr -","- C54 H62 N2 O4 Zr -","- C432 H496 N16 O32 Zr8 -","8","0.25","","Chan, Michael C. W.; Tam, Ka-Ho; Zhu, Nianyong; Chiu, Pauline; Matsui, Shigekazu","Synthesis, Structures, and Olefin Polymerization Characteristics of Group 4 Catalysts [Zr{(OAr)2py}Cl2(D)] (D = O-Donors, Cl[HPR3]) Supported by Tridentate Pyridine-2,6-bis(aryloxide) Ligands","Organometallics","2006","25","3","785","","10.1021/om050864z","","","0.71073","MoKα","","0.0556","0.0355","","","0.0897","0.0935","","","","","","0.894","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074762","8.729","0.003","13.211","0.004","22.132","0.006","90","","95.75","0.02","90","","2539.4","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N3 O8 Pt -","- C23 H25 N3 O8 Pt -","- C92 H100 N12 O32 Pt4 -","4","1","","De Bo, Guillaume; Berthon-Gelloz, Guillaume; Tinant, Bernard; Markó, István E.","Hydrosilylation of Alkynes Mediated byN-Heterocyclic Carbene Platinum(0) Complexes","Organometallics","2006","25","8","1881","","10.1021/om050866j","","","0.71069","MoKα","","0.0412","0.0345","","","0.0938","0.0965","","","","","","1.057","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074763","12.603","0.004","15.801","0.005","15.393","0.005","90","","104.93","0.02","90","","2961.9","1.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 N2 O8 Pt -","- C27 H36 N2 O8 Pt -","- C108 H144 N8 O32 Pt4 -","4","1","","De Bo, Guillaume; Berthon-Gelloz, Guillaume; Tinant, Bernard; Markó, István E.","Hydrosilylation of Alkynes Mediated byN-Heterocyclic Carbene Platinum(0) Complexes","Organometallics","2006","25","8","1881","","10.1021/om050866j","","","0.71069","MoKα","","0.0379","0.0355","","","0.0945","0.0963","","","","","","1.041","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074764","15.0739","0.0009","11.7336","0.0007","18.0498","0.0011","90","","92.778","0.001","90","","3188.7","0.3","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 Br N12 O3 Re -","- C30 H24 Br N12 O3 Re -","- C120 H96 Br4 N48 O12 Re4 -","4","1","","Reger, Daniel L.; Watson, Russell P.; Smith, Mark D.; Pellechia, Perry J.","Controlling the Addition of Metal Centers to a Bis(pyrazolyl)methane Starburst Ligand: Direct Routes to Mono-, Bi-, and Trimetallic Rhenium(I) Complexes","Organometallics","2006","25","3","743","","10.1021/om0508684","","","0.71073","MoKα","","0.0286","0.0253","","","0.0625","0.0645","","","","","","1.058","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074765","22.5279","0.0012","12.8446","0.0007","25.4675","0.0014","90","","103.598","0.001","90","","7162.8","0.7","150","1","150","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 Br N12 O4 Re -","- C33 H30 Br N12 O4 Re -","- C264 H240 Br8 N96 O32 Re8 -","8","2","","Reger, Daniel L.; Watson, Russell P.; Smith, Mark D.; Pellechia, Perry J.","Controlling the Addition of Metal Centers to a Bis(pyrazolyl)methane Starburst Ligand: Direct Routes to Mono-, Bi-, and Trimetallic Rhenium(I) Complexes","Organometallics","2006","25","3","743","","10.1021/om0508684","","","0.71073","MoKα","","0.0293","0.0243","","","0.0562","0.0581","","","","","","1.027","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074766","8.8952","0.0005","14.7907","0.0008","16.1834","0.0009","89.662","0.001","86.394","0.001","73.953","0.001","2042","0.2","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Br2 N12 O7 Re2 -","- C36 H30 Br2 N12 O7 Re2 -","- C72 H60 Br4 N24 O14 Re4 -","2","1","","Reger, Daniel L.; Watson, Russell P.; Smith, Mark D.; Pellechia, Perry J.","Controlling the Addition of Metal Centers to a Bis(pyrazolyl)methane Starburst Ligand: Direct Routes to Mono-, Bi-, and Trimetallic Rhenium(I) Complexes","Organometallics","2006","25","3","743","","10.1021/om0508684","","","0.71073","MoKα","","0.0486","0.041","","","0.0991","0.1031","","","","","","1.047","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074767","14.1204","0.0008","18.5671","0.0011","24.4197","0.0014","90","","90","","90","","6402.2","0.6","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C50 H45 Br3 N19 O9 Re3 -","- C50 H45 Br3 N19 O9 Re3 -","- C200 H180 Br12 N76 O36 Re12 -","4","1","","Reger, Daniel L.; Watson, Russell P.; Smith, Mark D.; Pellechia, Perry J.","Controlling the Addition of Metal Centers to a Bis(pyrazolyl)methane Starburst Ligand: Direct Routes to Mono-, Bi-, and Trimetallic Rhenium(I) Complexes","Organometallics","2006","25","3","743","","10.1021/om0508684","","","0.71073","MoKα","","0.0249","0.0234","","","0.0551","0.0556","","","","","","1.062","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074768","10.6215","0.0005","14.1987","0.0007","36.1523","0.0017","90","","92.756","0.001","90","","5445.9","0.5","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H42 Br3 N12 O12 Re3 -","- C45 H42 Br3 N12 O12 Re3 -","- C180 H168 Br12 N48 O48 Re12 -","4","1","","Reger, Daniel L.; Watson, Russell P.; Smith, Mark D.; Pellechia, Perry J.","Controlling the Addition of Metal Centers to a Bis(pyrazolyl)methane Starburst Ligand: Direct Routes to Mono-, Bi-, and Trimetallic Rhenium(I) Complexes","Organometallics","2006","25","3","743","","10.1021/om0508684","","","0.71073","MoKα","","0.0492","0.0382","","","0.0858","0.0905","","","","","","1.044","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074769","13.2164","0.0008","14.1142","0.0009","19.163","0.0012","95.945","0.001","96.205","0.001","117.646","0.001","3099.6","0.3","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C49.5 H51 Br3 N12 O13.5 Re3 -","- C49.5 H51 Br3 N12 O13.5 Re3 -","- C99 H102 Br6 N24 O27 Re6 -","2","1","","Reger, Daniel L.; Watson, Russell P.; Smith, Mark D.; Pellechia, Perry J.","Controlling the Addition of Metal Centers to a Bis(pyrazolyl)methane Starburst Ligand: Direct Routes to Mono-, Bi-, and Trimetallic Rhenium(I) Complexes","Organometallics","2006","25","3","743","","10.1021/om0508684","","","0.71073","MoKα","","0.0487","0.0389","","","0.0996","0.1048","","","","","","1.039","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074770","10.463","0.0006","16.7987","0.0009","11.5739","0.0007","90","","94.684","0.005","90","","2027.5","0.2","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H28 Cl2 Fe P2 Pd -","- C18 H28 Cl2 Fe P2 Pd -","- C72 H112 Cl8 Fe4 P8 Pd4 -","4","1","","Gusev, Oleg V.; Peganova, Tat'yana A.; Kalsin, Alexander M.; Vologdin, Nikolai V.; Petrovskii, Pavel V.; Lyssenko, Konstantin A.; Tsvetkov, Aleksey V.; Beletskaya, Irina P.","Palladium Complexes with Metallocene-Bridged Bidentate Diphosphine Ligands: Synthesis, Structure, and Catalytic Activity in Amination and Cross-Coupling Reactions","Organometallics","2006","25","11","2750","","10.1021/om050869w","","","0.71073","MoKα","","0.058","0.0451","","","0.0846","0.0881","","","","","","1.081","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074771","19.576","0.0016","12.9958","0.0017","18.3713","0.0016","90","","90","","90","","4673.8","0.8","296","2","296","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C52 H50 Cl P2 Rh Ru S2 -","- C52 H50 Cl P2 Rh Ru S2 -","- C208 H200 Cl4 P8 Rh4 Ru4 S8 -","4","1","","Takemoto, Shin; Shimadzu, Daisuke; Kamikawa, Ken; Matsuzaka, Hiroyuki; Nomura, Ryoki","Synthesis and Reactivity of a Dithiolate-Bridged Ruthenium−Rhodium Heterobimetallic Dihydride Complex","Organometallics","2006","25","4","982","","10.1021/om050871n","","","0.71075","MoKα","","0.0771","0.0498","","","0.1063","0.117","","","","","","1.024","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074772","12.401","0.009","22.984","0.012","13.023","0.006","90","","113.77","0.04","90","","3397","4","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 O2 P Rh Ru S2 -","- C36 H34 O2 P Rh Ru S2 -","- C144 H136 O8 P4 Rh4 Ru4 S8 -","4","1","","Takemoto, Shin; Shimadzu, Daisuke; Kamikawa, Ken; Matsuzaka, Hiroyuki; Nomura, Ryoki","Synthesis and Reactivity of a Dithiolate-Bridged Ruthenium−Rhodium Heterobimetallic Dihydride Complex","Organometallics","2006","25","4","982","","10.1021/om050871n","","","0.71075","MoKα","","0.1238","0.0534","","","0.0871","0.1039","","","","","","0.93","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074773","13.1118","0.0012","21.503","0.003","19.348","0.002","90","","94.862","0.005","90","","5435.4","1.1","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C57 H59 P2 Rh Ru S2 Si -","- C57 H58 P2 Rh Ru S2 Si -","- C228 H232 P8 Rh4 Ru4 S8 Si4 -","4","2","","Takemoto, Shin; Shimadzu, Daisuke; Kamikawa, Ken; Matsuzaka, Hiroyuki; Nomura, Ryoki","Synthesis and Reactivity of a Dithiolate-Bridged Ruthenium−Rhodium Heterobimetallic Dihydride Complex","Organometallics","2006","25","4","982","","10.1021/om050871n","","","0.71075","MoKα","","0.0705","0.0517","","","0.1369","0.1484","","","","","","0.937","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074774","11.042","0.003","28.5","0.008","15.871","0.005","90","","92.8","0.02","90","","4989","3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C59 H58 P Rh Ru S2 -","- C59 H58 P Rh Ru S2 -","- C236 H232 P4 Rh4 Ru4 S8 -","4","1","","Takemoto, Shin; Shimadzu, Daisuke; Kamikawa, Ken; Matsuzaka, Hiroyuki; Nomura, Ryoki","Synthesis and Reactivity of a Dithiolate-Bridged Ruthenium−Rhodium Heterobimetallic Dihydride Complex","Organometallics","2006","25","4","982","","10.1021/om050871n","","","0.71075","MoKα","","0.1302","0.0713","","","0.1036","0.1181","","","","","","1.02","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074775","13.428","0.0014","13.4077","0.0017","13.45","0.002","95.065","0.005","100.779","0.005","108.421","0.005","2228.5","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C53 H47 Rh Ru S2 -","- C53 H47 Rh Ru S2 -","- C106 H94 Rh2 Ru2 S4 -","2","1","","Takemoto, Shin; Shimadzu, Daisuke; Kamikawa, Ken; Matsuzaka, Hiroyuki; Nomura, Ryoki","Synthesis and Reactivity of a Dithiolate-Bridged Ruthenium−Rhodium Heterobimetallic Dihydride Complex","Organometallics","2006","25","4","982","","10.1021/om050871n","","","0.71075","MoKα","","0.0817","0.043","","","0.0925","0.1036","","","","","","0.966","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074776","12.0433","0.0006","23.0234","0.0011","19.3711","0.0012","90","","90.638","0.003","90","","5370.8","0.5","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C62 H57 O P2 Rh Ru S2 -","- C62 H57 O P2 Rh Ru S2 -","- C248 H228 O4 P8 Rh4 Ru4 S8 -","4","1","","Takemoto, Shin; Shimadzu, Daisuke; Kamikawa, Ken; Matsuzaka, Hiroyuki; Nomura, Ryoki","Synthesis and Reactivity of a Dithiolate-Bridged Ruthenium−Rhodium Heterobimetallic Dihydride Complex","Organometallics","2006","25","4","982","","10.1021/om050871n","","","0.71075","MoKα","","0.0601","0.0356","","","0.0739","0.08","","","","","","1.001","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074777","8.594","0.009","13.63","0.02","8.87","0.01","90","","114.75","0.09","90","","944","2","200.2","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- C26 H24 Ru -","- C52 H48 Ru -","- C104 H96 Ru2 -","2","0.5","","Shibasaki, Takao; Komine, Nobuyuki; Hirano, Masafumi; Komiya, Sanshiro","Synthesis of Mono-, Di-, and Triruthenium(0) Complexes Having a Triphenylene Ligand†","Organometallics","2006","25","2","523","","10.1021/om050875s","","","0.7107","MoKα","","","0.0774","","","","0.129","","","","","","1.335","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074778","19.756","0.001","20.68","0.001","18.302","0.001","90","","95.87","0.001","90","","7438.1","0.7","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C73 H80 I2 O4 P4 S4 Tm2 -","- C66 H72 I2 O4 P4 S4 Tm2 -","- C264 H288 I8 O16 P16 S16 Tm8 -","4","1","","Cantat, Thibault; Jaroschik, Florian; Ricard, Louis; Le Floch, Pascal; Nief, François; Mézailles, Nicolas","Thulium Alkylidene Complexes: Synthesis, X-ray Structures, and Reactivity","Organometallics","2006","25","5","1329","1332","10.1021/om050877c","","","0.71069","MoKα","","0.07","0.0469","","","0.1257","0.1347","","","","","","1.004","","","","has coordinates,has disorder","209817","2020-10-21","18:00:00",""
"4074779","14.886","0.001","20.606","0.001","22.273","0.001","74.52","0.001","79.54","0.001","76.42","0.001","6348.4","0.6","150","0.1","150","0.1","","","","","","","","7","P -1","-P 1","2","","","","- C66 H72 Li O4 P4 S4 Tm -","- C66 H72 Li O4 P4 S4 Tm -","- C264 H288 Li4 O16 P16 S16 Tm4 -","4","2","","Cantat, Thibault; Jaroschik, Florian; Ricard, Louis; Le Floch, Pascal; Nief, François; Mézailles, Nicolas","Thulium Alkylidene Complexes: Synthesis, X-ray Structures, and Reactivity","Organometallics","2006","25","5","1329","1332","10.1021/om050877c","","","0.71069","MoKα","","0.0961","0.071","","","0.2043","0.2227","","","","","","1.056","","","","has coordinates","209817","2020-10-21","18:00:00",""
"4074780","26.443","0.001","14.688","0.001","17.092","0.001","90","","98.68","0.001","90","","6562.4","0.6","230","0.1","230","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C66 H72 Li O4 P4 S4 Tm -","- C66 H72 Li O4 P4 S4 Tm -","- C264 H288 Li4 O16 P16 S16 Tm4 -","4","0.5","","Cantat, Thibault; Jaroschik, Florian; Ricard, Louis; Le Floch, Pascal; Nief, François; Mézailles, Nicolas","Thulium Alkylidene Complexes: Synthesis, X-ray Structures, and Reactivity","Organometallics","2006","25","5","1329","1332","10.1021/om050877c","","","0.71069","MoKα","","0.0535","0.0388","","","0.1002","0.1075","","","","","","1.038","","","","has coordinates","209817","2020-10-21","18:00:00",""
"4074781","20.075","0.001","11.607","0.001","29.648","0.001","90","","108.351","0.001","90","","6557","0.7","150","0.1","150","0.1","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C80 H68 Li O3 P4 S4 Tm -","- C80 H68 Li O3 P4 S4 Tm -","- C320 H272 Li4 O12 P16 S16 Tm4 -","4","0.5","","Cantat, Thibault; Jaroschik, Florian; Ricard, Louis; Le Floch, Pascal; Nief, François; Mézailles, Nicolas","Thulium Alkylidene Complexes: Synthesis, X-ray Structures, and Reactivity","Organometallics","2006","25","5","1329","1332","10.1021/om050877c","","","0.71069","MoKα","","0.0458","0.0417","","","0.1253","0.1276","","","","","","1.192","","","","has coordinates","209817","2020-10-21","18:00:00",""
"4074782","8.9534","0.0003","19.0468","0.0007","14.3058","0.0005","90","","91.927","0.001","90","","2438.24","0.15","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H40 N2 Zr -","- C26 H40 N2 Zr -","- C104 H160 N8 Zr4 -","4","1","","Kissounko, Denis; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.","Synthesis and Formal Ring-Opening Reactions of (η5-C5Me5)Zr[η2-CH2CH(C6H5)][N(iPr)C(Me)N(iPr)], a Base-Free η2-Styrene Complex of Zirconium","Organometallics","2006","25","2","531","","10.1021/om0508785","","","0.71073","MoKα","","0.0659","0.0344","","","0.0791","0.0905","","","","","","1.078","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074783","9.2143","0.0008","20.6091","0.0018","16.3294","0.0014","90","","90","","90","","3100.9","0.5","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H46 N2 Zr -","- C34 H46 N2 Zr -","- C136 H184 N8 Zr4 -","4","1","","Kissounko, Denis; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.","Synthesis and Formal Ring-Opening Reactions of (η5-C5Me5)Zr[η2-CH2CH(C6H5)][N(iPr)C(Me)N(iPr)], a Base-Free η2-Styrene Complex of Zirconium","Organometallics","2006","25","2","531","","10.1021/om0508785","","","0.71073","MoKα","","0.0711","0.0384","","","0.083","0.0931","","","","","","1.028","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074784","19.1742","0.0007","16.8611","0.0006","19.2395","0.0007","90","","103.306","0.001","90","","6053.1","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H46 N2 Zr -","- C34 H46 N2 Zr -","- C272 H368 N16 Zr8 -","8","2","","Kissounko, Denis; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.","Synthesis and Formal Ring-Opening Reactions of (η5-C5Me5)Zr[η2-CH2CH(C6H5)][N(iPr)C(Me)N(iPr)], a Base-Free η2-Styrene Complex of Zirconium","Organometallics","2006","25","2","531","","10.1021/om0508785","","","0.71073","MoKα","","0.0826","0.0381","","","0.0874","0.1029","","","","","","1.022","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074785","18.6067","0.0007","9.7437","0.0004","34.78","0.0013","90","","90","","90","","6305.5","0.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C58 H98 Cl2 N4 Sn2 Zr2 -","- C58 H98 Cl2 N4 Sn2 Zr2 -","- C232 H392 Cl8 N16 Sn8 Zr8 -","4","1","","Kissounko, Denis; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.","Synthesis and Formal Ring-Opening Reactions of (η5-C5Me5)Zr[η2-CH2CH(C6H5)][N(iPr)C(Me)N(iPr)], a Base-Free η2-Styrene Complex of Zirconium","Organometallics","2006","25","2","531","","10.1021/om0508785","","","0.71073","MoKα","","0.0769","0.0397","","","0.0905","0.1068","","","","","","1.074","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074786","12.778","0.0009","17.6163","0.0012","14.8275","0.001","90","","109.663","0.001","90","","3143.1","0.4","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H49 Br0.09 Cl0.91 N2 Si Zr -","- C29 H49 Br0.1 Cl0.9 N2 Si Zr -","- C116 H196 Br0.4 Cl3.6 N8 Si4 Zr4 -","4","1","","Kissounko, Denis; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.","Synthesis and Formal Ring-Opening Reactions of (η5-C5Me5)Zr[η2-CH2CH(C6H5)][N(iPr)C(Me)N(iPr)], a Base-Free η2-Styrene Complex of Zirconium","Organometallics","2006","25","2","531","","10.1021/om0508785","","","0.71073","MoKα","","0.0637","0.0449","","","0.1191","0.1317","","","","","","1.089","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074787","8.7602","0.0003","9.7735","0.0004","15.5841","0.0006","79.224","0.001","82.016","0.001","69.527","0.001","1224.03","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H42 N2 Zr -","- C26 H42 N2 Zr -","- C52 H84 N4 Zr2 -","2","1","","Kissounko, Denis; Epshteyn, Albert; Fettinger, James C.; Sita, Lawrence R.","Synthesis and Formal Ring-Opening Reactions of (η5-C5Me5)Zr[η2-CH2CH(C6H5)][N(iPr)C(Me)N(iPr)], a Base-Free η2-Styrene Complex of Zirconium","Organometallics","2006","25","2","531","","10.1021/om0508785","","","0.71073","MoKα","","0.0404","0.0304","","","0.0772","0.0816","","","","","","1.073","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074788","16.539","0.003","27.592","0.005","10.484","0.002","90","","91.234","0.003","90","","4783.2","1.5","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H38 Br N3 O2 Ti -","- C19 H38 Br N3 O2 Ti -","- C152 H304 Br8 N24 O16 Ti8 -","8","2","","Mungur, Shaheed A.; Blake, Alexander J.; Wilson, Claire; McMaster, Jonathan; Arnold, Polly L.","Titanium(IV) Alkoxy-N-heterocyclic Carbenes: Structural Preferences of Alkoxide and Bromide Adducts","Organometallics","2006","25","8","1861","","10.1021/om0508839","","","0.71073","MoKα","","0.0843","0.0516","","","0.121","0.137","","","","","","1.02","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074789","11.9167","0.0012","16.839","0.002","17.3","0.002","86.068","0.002","78.108","0.002","70.852","0.002","3209.1","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24.5 H49 Br N4 O2.5 Ti -","- C24.5 H45 Br N4 O2.5 Ti -","- C98 H180 Br4 N16 O10 Ti4 -","4","2","","Mungur, Shaheed A.; Blake, Alexander J.; Wilson, Claire; McMaster, Jonathan; Arnold, Polly L.","Titanium(IV) Alkoxy-N-heterocyclic Carbenes: Structural Preferences of Alkoxide and Bromide Adducts","Organometallics","2006","25","8","1861","","10.1021/om0508839","","","0.71073","MoKα","","0.106","0.0641","","","0.166","0.191","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074790","11.1961","0.001","14.3501","0.0013","12.3751","0.0011","90","","103.432","0.008","90","","1933.9","0.3","140","2","140","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 B Cl F4 N4 O P Ru -","- C14 H25 B Cl F4 N4 O P Ru -","- C56 H100 B4 Cl4 F16 N16 O4 P4 Ru4 -","4","1","","Scolaro, Claudine; Geldbach, Tilmann J.; Rochat, Sébastien; Dorcier, Antoine; Gossens, Christian; Bergamo, Alberta; Cocchietto, Moreno; Tavernelli, Ivano; Sava, Gianni; Rothlisberger, Ursula; Dyson, Paul J.","Influence of Hydrogen-Bonding Substituents on the Cytotoxicity of RAPTA Compounds","Organometallics","2006","25","3","756","","10.1021/om0508841","","","0.71073","MoKα","","0.0601","0.0484","","","0.115","0.1191","","","","","","1.204","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074791","9.3435","0.0004","13.4875","0.0007","39.71","0.002","90","","90","","90","","5004.3","0.4","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C51 H68 B Cl2 F4 Ir O3 P2 -","- C51 H68 B Cl2 F4 Ir O3 P2 -","- C204 H272 B4 Cl8 F16 Ir4 O12 P8 -","4","1","","Vargas, Sergio; Rubio, Miguel; Suárez, Andrés; del Río, Diego; Álvarez, Eleuterio; Pizzano, Antonio","Iridium Complexes with Phosphine−Phosphite Ligands. Structural Aspects and Application in the Catalytic Asymmetric Hydrogenation of N-Aryl Imines","Organometallics","2006","25","4","961","","10.1021/om050885t","","","0.71073","MoKα","","0.0404","0.0363","","","0.0883","0.0904","","","","","","1.032","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074792","12.7635","0.0003","13.3844","0.0003","26.0174","0.0007","90","","98.694","0.001","90","","4393.53","0.19","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H54 Cl Ir O4 P2 -","- C47 H54 Cl Ir O4 P2 -","- C188 H216 Cl4 Ir4 O16 P8 -","4","1","","Vargas, Sergio; Rubio, Miguel; Suárez, Andrés; del Río, Diego; Álvarez, Eleuterio; Pizzano, Antonio","Iridium Complexes with Phosphine−Phosphite Ligands. Structural Aspects and Application in the Catalytic Asymmetric Hydrogenation of N-Aryl Imines","Organometallics","2006","25","4","961","","10.1021/om050885t","","","0.71073","MoKα","","0.0275","0.0227","","","0.0539","0.0555","","","","","","1.058","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074793","12.366","0.002","16.214","0.003","21.347","0.004","96.191","0.003","106.453","0.003","91.839","0.003","4072.1","1.3","213","2","213","2","","","","","","","","7","P -1","-P 1","2","","","","- C69.16 H89.73 Al2 Cl1.34 Cr N2 P4 -","- C69.16 H85.23 Al2 Cl1.34 Cr N2 P4 -","- C138.32 H170.46 Al4 Cl2.68 Cr2 N4 P8 -","2","1","","Jabri, Amir; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Duchateau, Robbert","Isolation of a Cationic Chromium(II) Species in a Catalytic System for Ethylene Tri- and Tetramerization","Organometallics","2006","25","3","715","","10.1021/om050886l","","","0.71073","MoKα","","0.1041","0.0781","","","0.2015","0.2229","","","","","","1.035","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074794","9.0247","0.0003","12.194","0.0004","15.9219","0.0005","86.9435","0.0015","78.178","0.0015","89.2258","0.0011","1712.55","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","Complex 3","","","- C36 H54 Mg N2 O -","- C36 H54 Mg N2 O -","- C72 H108 Mg2 N4 O2 -","2","1","","Sánchez-Barba, Luis F.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred","Ligand Transfer Reactions of Mixed-Metal Lanthanide/Magnesium Allyl Complexes with β-Diketimines: Synthesis, Structures, and Ring-Opening Polymerization Catalysis","Organometallics","2006","25","4","1012","","10.1021/om050892h","","","0.71073","MoKα","","0.132","0.0734","","","0.1365","0.1644","","","","","","1.051","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074795","18.1687","0.0005","18.507","0.0006","14.0704","0.0004","90","","121.97","0.002","90","","4013.6","0.2","180","1","180","1","","","","","","","","5","C 1 2/m 1","-C 2y","12","Complex 6","","","- C82 H132 Mg2 N4 O8 -","- C82 H100 Mg2 N4 O8 -","- C164 H200 Mg4 N8 O16 -","2","0.25","","Sánchez-Barba, Luis F.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred","Ligand Transfer Reactions of Mixed-Metal Lanthanide/Magnesium Allyl Complexes with β-Diketimines: Synthesis, Structures, and Ring-Opening Polymerization Catalysis","Organometallics","2006","25","4","1012","","10.1021/om050892h","","","0.71073","Mo-Kα","","0.0949","0.0644","","","0.1488","0.1607","","","","","","1.048","","","","has coordinates,has disorder","178636","2020-10-21","18:00:00",""
"4074796","23.842","0.005","26.615","0.005","26.493","0.005","90","","109.95","0.03","90","","15802","6","180","1","180","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Complex 8","","","- C76.88 H107 Cl4 N4 O Y2 -","- C76.75 H102 Cl4 N4 O Y2 -","- C614 H816 Cl32 N32 O8 Y16 -","8","2","","Sánchez-Barba, Luis F.; Hughes, David L.; Humphrey, Simon M.; Bochmann, Manfred","Ligand Transfer Reactions of Mixed-Metal Lanthanide/Magnesium Allyl Complexes with β-Diketimines: Synthesis, Structures, and Ring-Opening Polymerization Catalysis","Organometallics","2006","25","4","1012","","10.1021/om050892h","","","0.71073","Mo-Kα","","0.0946","0.0669","","","0.1745","0.1906","","","","","","1.067","","","","has coordinates","178636","2020-10-21","18:00:00",""
"4074797","12.8586","0.0012","17.7064","0.0017","19.2653","0.0018","90","","96.674","0.002","90","","4356.6","0.7","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H138 K2 N10 O4 Si8 Y2 -","- C58 H138 K2 N10 O4 Si8 Y2 -","- C116 H276 K4 N20 O8 Si16 Y4 -","2","0.5","","Arnold, Polly L.; Liddle, Stephen T.","Deprotonation of N-Heterocyclic Carbenes to Afford Heterobimetallic Organolanthanide Complexes","Organometallics","2006","25","6","1485","1491","10.1021/om050895u","","","0.71073","MoKα","","0.0594","0.0366","","","0.0892","0.0978","","","","","","1.005","","","","has coordinates","209805","2020-10-21","18:00:00",""
"4074798","12.897","0.002","17.735","0.003","19.302","0.003","90","","96.474","0.002","90","","4386.8","1.2","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H138 K2 N10 O4 Si8 Sm2 -","- C58 H138 K2 N10 O4 Si8 Sm2 -","- C116 H276 K4 N20 O8 Si16 Sm4 -","2","0.5","","Arnold, Polly L.; Liddle, Stephen T.","Deprotonation of N-Heterocyclic Carbenes to Afford Heterobimetallic Organolanthanide Complexes","Organometallics","2006","25","6","1485","1491","10.1021/om050895u","","","0.71073","MoKα","","0.0601","0.0366","","","0.0896","0.106","","","","","","1.102","","","","has coordinates","209805","2020-10-21","18:00:00",""
"4074799","26.899","0.007","11.136","0.003","21.979","0.006","90","","112.692","0.004","90","","6074","3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H97 N8 O2 Si4 Sm2 -","- C40 H90 N8 O2 Si4 Sm2 -","- C160 H360 N32 O8 Si16 Sm8 -","4","0.5","","Arnold, Polly L.; Liddle, Stephen T.","Deprotonation of N-Heterocyclic Carbenes to Afford Heterobimetallic Organolanthanide Complexes","Organometallics","2006","25","6","1485","1491","10.1021/om050895u","","","0.71073","MoKα","","0.0536","0.0298","","","0.068","0.0739","","","","","","0.948","","","","has coordinates","209805","2020-10-21","18:00:00",""
"4074800","10.638","0.004","11.351","0.003","12.251","0.004","97.89","0.02","110.574","0.008","91.28","0.02","1367.9","0.8","213.2","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H27 B F4 N3 P Pd2 -","- C27 H22 B F4 N3 P Pd2 -","- C54 H44 B2 F8 N6 P2 Pd4 -","2","1","","Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka","Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes","Organometallics","2006","25","6","1359","1367","10.1021/om050897e","","","0.7107","MoKα","","","0.0658","","","","0.1746","","","","","","0.882","","","","has coordinates","209811","2020-10-21","18:00:00",""
"4074801","12.795","0.003","13.033","0.004","14.044","0.005","99.43","0.01","103.25","0.02","91.89","0.02","2242.7","1.2","213","","213","","","","","","","","","9","P -1","-P 1","2","","","","- C39 H45 B Cl4 F4 Ir N3 P Rh -","- C39 H41 B Cl4 F4 Ir N3 P Rh -","- C78 H82 B2 Cl8 F8 Ir2 N6 P2 Rh2 -","2","1","","Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka","Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes","Organometallics","2006","25","6","1359","1367","10.1021/om050897e","","","0.7107","MoKα","","","0.0907","","","","0.266","","","","","","1.983","","","","has coordinates","209811","2020-10-21","18:00:00",""
"4074802","9.99","0.004","13.054","0.003","22.616","0.008","90.35","0.02","99.879","0.007","96.11","0.02","2888.2","1.7","213","","213","","","","","","","","","9","P -1","-P 1","2","","","","- C51 H36 B2 Cl2 F8 N6 O9 P2 Rh4 -","- C51 H36 B2 Cl2 F8 N6 O9 P2 Rh4 -","- C102 H72 B4 Cl4 F16 N12 O18 P4 Rh8 -","2","1","","Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka","Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes","Organometallics","2006","25","6","1359","1367","10.1021/om050897e","","","0.7107","MoKα","","","0.0866","","","","0.2329","","","","","","1.247","","","","has coordinates","209811","2020-10-21","18:00:00",""
"4074803","9.239","0.007","9.09","0.01","36.77","0.02","90","","96.01","0.09","90","","3071","4","298","","298","","","","","","","","","10","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 B Cl2 F4 Ir N3 O2 P Pd -","- C27 H22 B Cl2 F4 Ir N3 O2 P Pd -","- C108 H88 B4 Cl8 F16 Ir4 N12 O8 P4 Pd4 -","4","1","","Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka","Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes","Organometallics","2006","25","6","1359","1367","10.1021/om050897e","","","0.7107","MoKα","","","0.0438","","","","0.1599","","","","","","1.02","","","","has coordinates","209811","2020-10-21","18:00:00",""
"4074804","13.235","0.007","14.245","0.009","19.86","0.01","105.27","0.02","106.6","0.02","98.09","0.02","3366","3","213","","213","","","","","","","","","9","P -1","-P 1","2","","","","- C52 H48 B2 Cl12 F8 Ir2 N2 O4 P2 -","- C52 H48 B2 Cl12 F8 Ir2 N2 O4 P2 -","- C104 H96 B4 Cl24 F16 Ir4 N4 O8 P4 -","2","1","","Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka","Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes","Organometallics","2006","25","6","1359","1367","10.1021/om050897e","","","0.7107","MoKα","","","0.0622","","","","0.1691","","","","","","1.033","","","","has coordinates","209811","2020-10-21","18:00:00",""
"4074805","12.835","0.009","14.471","0.008","15.382","0.008","63.1","0.02","89.46","0.03","86.39","0.03","2542","3","213","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C58 H50 Ir N2 O2 P2 Rh -","- C58 H27 Ir N2 O2 P2 Rh -","- C116 H54 Ir2 N4 O4 P4 Rh2 -","2","1","","Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka","Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes","Organometallics","2006","25","6","1359","1367","10.1021/om050897e","","","0.7107","MoKα","","","0.0703","","","","0.1817","","","","","","0.943","","","","has coordinates","209811","2020-10-21","18:00:00",""
"4074806","13.491","0.008","11.856","0.003","17.317","0.01","90","","102.72","0.01","90","","2702","2","213","","213","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N3 O2 P Rh2 Si -","- C28 H26 N3 O2 P Rh2 Si -","- C112 H104 N12 O8 P4 Rh8 Si4 -","4","1","","Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka","Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M'L']BF4. 2. Preparation, Basic Coordination Properties, and Reactivity of the Carbonyl Complexes","Organometallics","2006","25","6","1359","1367","10.1021/om050897e","","","0.7107","MoKα","","","0.0711","","","","0.2125","","","","","","0.748","","","","has coordinates","209811","2020-10-21","18:00:00",""
"4074807","26.9672","0.0007","8.8779","0.0002","18.9608","0.0005","90","","107.046","0.001","90","","4340.03","0.19","105","2","105","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 N2 Pt -","- C25 H25 N2 Pt -","- C200 H200 N16 Pt8 -","8","2","","Lersch, Martin; Dalhus, Bjørn; Bercaw, John E.; Labinger, Jay; Tilset, Mats","Improved One-Pot Synthesis of Mixed Methyl−Aryl Platinum(II) Diimine Complexes","Organometallics","2006","25","4","1055","","10.1021/om050899z","","","0.71073","MoKα","","0.0618","0.0499","","","0.1174","0.1216","","","","","","1.194","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074808","11.341","0.001","14.451","0.001","18.657","0.001","85.269","0.001","77.11","0.001","73.935","0.001","2863.5","0.4","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C62 H55 Cl4 Ir P4 S2 -","- C62 H55 Cl4 Ir P4 S2 -","- C124 H110 Cl8 Ir2 P8 S4 -","2","1","","Doux, Marjolaine; Ricard, Louis; Le Floch, Pascal; Jean, Yves","Addition of H2 on (Sulfur, Phosphorus, Sulfur)-Pincer-Based Rhodium(I), Iridium(I), Palladium(II), and Platinum(II) Complexes: Reactivity and Regioselectivity","Organometallics","2006","25","5","1101","1111","10.1021/om050900u","","","0.71069","MoKα","","0.0356","0.0281","","","0.064","0.0664","","","","","","1.018","","","","has coordinates,has disorder","209879","2020-10-21","18:00:00",""
"4074809","11.0398","0.0009","13.6317","0.0007","21.2557","0.0012","90","","95.788","0.003","90","","3182.5","0.4","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H52 Hf2 N2 -","- C36 H52 Hf2 N2 -","- C144 H208 Hf8 N8 -","4","0.5","","Bernskoetter, Wesley H.; Olmos, Andrea V.; Lobkovsky, Emil; Chirik, Paul J.","N2Hydrogenation Promoted by a Side-On Bound Hafnocene Dinitrogen Complex","Organometallics","2006","25","4","1021","","10.1021/om0509037","","","0.71073","MoKα","","0.1028","0.0351","","","0.0749","0.0944","","","","","","0.903","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074810","22.6682","0.0013","24.2123","0.0008","24.2123","0.0008","90","","90","","90","","13288.9","1","173","2","173","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C36 H56 Hf2 N2 -","- C36 H56 Hf2 N2 -","- C576 H896 Hf32 N32 -","16","0.5","","Bernskoetter, Wesley H.; Olmos, Andrea V.; Lobkovsky, Emil; Chirik, Paul J.","N2Hydrogenation Promoted by a Side-On Bound Hafnocene Dinitrogen Complex","Organometallics","2006","25","4","1021","","10.1021/om0509037","","","0.71073","MoKα","","0.0459","0.0249","","","0.0525","0.057","","","","","","1.015","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074811","9.0672","0.0014","10.3723","0.0016","11.6987","0.0018","99.221","0.002","95.381","0.002","105.264","0.002","1037","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H35 Os P -","- C23 H35 Os P -","- C46 H70 Os2 P2 -","2","1","","Esteruelas, Miguel A.; González, Ana I.; López, Ana M.; Oliván, Montserrat; Oñate, Enrique","Preparation of Half-Sandwich Osmium-Allyl Complexes by Consecutive C−C Bond Formation and C−H Bond Activation Reactions","Organometallics","2006","25","3","693","","10.1021/om050907b","","","0.71073","MoKα","","0.0181","0.0174","","","0.0418","0.0421","","","","","","1.11","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074812","10.2094","0.0013","12.8248","0.0017","17.944","0.002","90","","96.363","0.002","90","","2335","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H36 B F4 Os P -","- C23 H36 B F4 Os P -","- C92 H144 B4 F16 Os4 P4 -","4","1","","Esteruelas, Miguel A.; González, Ana I.; López, Ana M.; Oliván, Montserrat; Oñate, Enrique","Preparation of Half-Sandwich Osmium-Allyl Complexes by Consecutive C−C Bond Formation and C−H Bond Activation Reactions","Organometallics","2006","25","3","693","","10.1021/om050907b","","","0.71073","MoKα","","0.0371","0.0271","","","0.0591","0.0608","","","","","","0.974","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074813","9.615","0.002","13.811","0.003","17.423","0.004","85.988","0.004","75.399","0.005","78.292","0.005","2191.9","0.8","173","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C48.5 H59 B Cl Os P -","- C48.5 H59 B Cl Os P -","- C97 H118 B2 Cl2 Os2 P2 -","2","1","","Esteruelas, Miguel A.; González, Ana I.; López, Ana M.; Oliván, Montserrat; Oñate, Enrique","Preparation of Half-Sandwich Osmium-Allyl Complexes by Consecutive C−C Bond Formation and C−H Bond Activation Reactions","Organometallics","2006","25","3","693","","10.1021/om050907b","","","0.71073","MoKα","","0.1884","0.0598","","","0.1234","0.1464","","","","","","0.664","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074814","13.229","0.0008","15.9825","0.001","18.6367","0.0012","90","","90","","90","","3940.4","0.4","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H31 Au N P -","- C19 H31 Au N P -","- C152 H248 Au8 N8 P8 -","8","1","","Wile, Bradley M.; Burford, Richard J.; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Neutral and Cationic Platinum(II) Complexes Supported by a P,N-Functionalized Indene Ligand: Structural and Reactivity Comparisons with a Related Gold(III) Zwitterion","Organometallics","2006","25","4","1028","","10.1021/om050910v","","","0.71073","MoKα","","0.0309","0.0219","","","0.0532","0.0585","","","","","","1.016","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074815","13.3126","0.0011","16.7227","0.0014","18.1608","0.0015","90","","90","","90","","4043","0.6","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H32 N P Pt -","- C19 H32 N P Pt -","- C152 H256 N8 P8 Pt8 -","8","1","","Wile, Bradley M.; Burford, Richard J.; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Neutral and Cationic Platinum(II) Complexes Supported by a P,N-Functionalized Indene Ligand: Structural and Reactivity Comparisons with a Related Gold(III) Zwitterion","Organometallics","2006","25","4","1028","","10.1021/om050910v","","","0.71073","MoKα","","0.0371","0.0257","","","0.0596","0.065","","","","","","1.06","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074816","17.2031","0.0009","14.297","0.0007","32.2154","0.0016","90","","90","","90","","7923.5","0.7","193","2","193","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C36 H58 B Cl F4 N2 P2 Pt2 -","- C36 H58 B Cl F4 N2 P2 Pt2 -","- C288 H464 B8 Cl8 F32 N16 P16 Pt16 -","8","1","","Wile, Bradley M.; Burford, Richard J.; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Neutral and Cationic Platinum(II) Complexes Supported by a P,N-Functionalized Indene Ligand: Structural and Reactivity Comparisons with a Related Gold(III) Zwitterion","Organometallics","2006","25","4","1028","","10.1021/om050910v","","","0.71073","MoKα","","0.0584","0.0492","","","0.1129","0.1198","","","","","","1.298","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074817","9.4505","0.0006","18.1064","0.0011","14.4908","0.0009","90","","92.359","0.001","90","","2477.5","0.3","193","2","193","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C20 H35 B F4 N P Pt S -","- C20 H35 B F4 N P Pt S -","- C80 H140 B4 F16 N4 P4 Pt4 S4 -","4","1","","Wile, Bradley M.; Burford, Richard J.; McDonald, Robert; Ferguson, Michael J.; Stradiotto, Mark","Neutral and Cationic Platinum(II) Complexes Supported by a P,N-Functionalized Indene Ligand: Structural and Reactivity Comparisons with a Related Gold(III) Zwitterion","Organometallics","2006","25","4","1028","","10.1021/om050910v","","","0.71073","MoKα","","0.0249","0.0211","","","0.0524","0.0542","","","","","","1.068","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074818","13.9108","0.0005","22.5453","0.0006","23.4052","0.0007","90","","90","","90","","7340.4","0.4","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C88 H79 B2 N8 Y -","- C87.98 H78.98 B2 N8.02 Y -","- C351.92 H315.92 B8 N32.08 Y4 -","4","1","","Arndt, Stefan; Elvidge, Benjamin R.; Zeimentz, Peter M.; Spaniol, Thomas P.; Okuda, Jun","Formation of a Dicationic Yttrium η2-Pyridyl Complex from an Yttrium Methyl Dication by C−H Activation of Pyridine","Organometallics","2006","25","3","793","","10.1021/om0509140","","","0.71073","MoKα","","0.0858","0.0537","","","0.1204","0.1339","","","","","","1.062","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074819","10.373","0.002","9.943","0.002","11.265","0.002","90","","107.692","0.004","90","","1106.9","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H28 B P Si -","- C24 H28 B P Si -","- C48 H56 B2 P2 Si2 -","2","1","","Rodríguez, Lara-Isabel; Rossell, Oriol; Seco, Miquel; Grabulosa, Arnald; Muller, Guillermo; Rocamora, Mercè","Carbosilane Dendrimers Peripherally Functionalized with P-Stereogenic Monophosphines. Catalytic Behavior of Their Allylpalladium Complexes in the Asymmetric Hydrovinylation of Styrene","Organometallics","2006","25","6","1368","1376","10.1021/om050915s","","","0.71073","MoKα","","0.0393","0.038","","","0.0972","0.0985","","","","","","1.082","","","","has coordinates","209835","2020-10-21","18:00:00",""
"4074820","11.1319","0.0004","12.8735","0.0005","13.5173","0.0005","90.692","0.001","96.436","0.001","98.44","0.001","1903.26","0.12","130","2","130","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H65 N Os P2 Si2 -","- C32 H65 N Os P2 Si2 -","- C64 H130 N2 Os2 P4 Si4 -","2","1","","Lee, Joo-Ho; Pink, Maren; Caulton, Kenneth G.","Triple Benzylic Dehydrogenation by Osmium in an Amide Ligand Environment","Organometallics","2006","25","4","802","","10.1021/om050916k","","","0.71073","MoKα","","0.0583","0.0391","","","0.0711","0.0771","","","","","","1.064","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074821","10.2333","0.0006","10.0512","0.0006","26.7733","0.0016","90","","99.833","0.001","90","","2713.4","0.3","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H33 Fe3 N -","- C33 H33 Fe3 N -","- C132 H132 Fe12 N4 -","4","1","","Sun, Hao; Chen, Weizhong; Kaifer, Angel E.","A Simple Method Based on NMR Spectroscopy and Ultramicroelectrode Voltammetry for the Determination of the Number of Electrons in Faradaic Processes","Organometallics","2006","25","7","1828","","10.1021/om050917c","","","0.71073","MoKα","","0.0602","0.036","","","0.0777","0.0846","","","","","","1.02","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074822","10.6124","0.0006","10.6725","0.001","19.5201","0.0004","90","","98.8091","0.0004","90","","2184.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","ClCo(gH)(dpgH)Py","trans-(glyoximato)(diphenylglyoximato)-chloro-(pyridine)-cobalt(III)","","- C21 H19 Cl Co N5 O4 -","- C21 H19 Cl Co N5 O4 -","- C84 H76 Cl4 Co4 N20 O16 -","4","1","","Gupta, B. D.; Yamuna, R.; Mandal, Debaprasad","Cobaloximes with Mixed Dioximes of Glyoxime and Diphenylglyoxime: Synthesis, Characterization, CV, X-ray Studies, and Crystal Packing","Organometallics","2006","25","3","706","","10.1021/om050919x","","","0.7107","MoKα","","0.0811","0.0439","","","0.1155","0.1314","","","","","","1.076","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074823","24.9461","0.0013","11.6249","0.0006","15.6026","0.0008","90","","101.136","0.001","90","","4439.5","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","CH3CH2Co(gH)(dpgH)Py","trans-(glyoximato)(diphenylglyoximato)-ethyl-(pyridine)-cobalt(III)","","- C23 H24 Co N5 O4 -","- C23 H24 Co N5 O4 -","- C184 H192 Co8 N40 O32 -","8","2","","Gupta, B. D.; Yamuna, R.; Mandal, Debaprasad","Cobaloximes with Mixed Dioximes of Glyoxime and Diphenylglyoxime: Synthesis, Characterization, CV, X-ray Studies, and Crystal Packing","Organometallics","2006","25","3","706","","10.1021/om050919x","","","0.71073","MoKα","","0.0557","0.0452","","","0.1051","0.1104","","","","","","1.03","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074824","11.076","0.005","12.299","0.005","12.299","0.005","80.697","0.005","71.207","0.005","64.859","0.005","1435.2","1.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","Oct-Co(gH)(dpgH)Py","trans-(glyoximato)(diphenylglyoximato)-octyl-(pyridine)-cobalt(III)","","- C29 H36 Co N5 O4 -","- C29 H36 Co N5 O4 -","- C58 H72 Co2 N10 O8 -","2","1","","Gupta, B. D.; Yamuna, R.; Mandal, Debaprasad","Cobaloximes with Mixed Dioximes of Glyoxime and Diphenylglyoxime: Synthesis, Characterization, CV, X-ray Studies, and Crystal Packing","Organometallics","2006","25","3","706","","10.1021/om050919x","","","0.71073","MoKα","","0.147","0.0727","","","0.1612","0.1985","","","","","","1.009","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074825","15.2841","0.0004","13.7542","0.0004","9.0503","0.0002","90","","90","","90","","1902.56","0.09","295","2","295","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C14 H25 Cl2 N5 Ni O -","- C14 H25 Cl2 N5 Ni O -","- C56 H100 Cl8 N20 Ni4 O4 -","4","1","","Ajellal, Noureddine; Kuhn, Maria C. A.; Boff, Andressa D. G.; Hörner, Manfredo; Thomas, Christophe M.; Carpentier, Jean-François; Casagrande, Osvaldo L.","Nickel Complexes Based on Tridentate Pyrazolyl Ligands for Highly Efficient Dimerization of Ethylene to 1-Butene","Organometallics","2006","25","5","1213","1216","10.1021/om050920w","","","0.71073","MoKα","","0.028","0.0221","","","0.0673","0.0882","","","","","","1.246","","","","has coordinates","209816","2020-10-21","18:00:00",""
"4074826","16.6469","0.0013","14.1423","0.0011","20.3512","0.0015","90","","99.095","0.001","90","","4731","0.6","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C57 H50 Cl N4 O P2 Rh -","- C57 H50 Cl N4 O P2 Rh -","- C228 H200 Cl4 N16 O4 P8 Rh4 -","4","0.5","","Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.","Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes","Organometallics","2006","25","6","1377","1391","10.1021/om050922g","","","0.71073","MoKα","","0.0282","0.0254","","","0.0675","0.0702","","","","","","1.029","","","","has coordinates","209818","2020-10-21","18:00:00",""
"4074827","21.86","0.003","9.3627","0.0012","16.269","0.002","90","","99.573","0.002","90","","3283.4","0.7","153","2","153","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H31 Cl3 F0 N2 O2 P Rh -","- C36 H31 Cl3 N2 O2 P Rh -","- C144 H124 Cl12 N8 O8 P4 Rh4 -","4","1","","Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.","Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes","Organometallics","2006","25","6","1377","1391","10.1021/om050922g","","","0.71073","MoKα","","0.0737","0.0471","","","0.099","0.1072","","","","","","1.014","","","","has coordinates","209818","2020-10-21","18:00:00",""
"4074828","14.5786","0.0006","15.7776","0.0007","15.0241","0.0006","90","","115.443","0.001","90","","3120.6","0.2","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C35 H29 Cl N2 O5 P Rh -","- C31 H25 Cl N2 O4 P Rh -","- C124 H100 Cl4 N8 O16 P4 Rh4 -","4","1","","Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.","Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes","Organometallics","2006","25","6","1377","1391","10.1021/om050922g","","","0.71073","MoKα","","0.0589","0.0431","","","0.1099","0.1155","","","","","","1","","","","has coordinates","209818","2020-10-21","18:00:00",""
"4074829","16.2011","0.0012","16.2011","0.0012","47.347","0.003","90","","90","","90","","12427.4","1.5","173","2","173","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C112 H84 Cl2 N8 O8 P4 Rh2 -","- C112 H84 Cl2 N8 O8 P4 Rh2 -","- C448 H336 Cl8 N32 O32 P16 Rh8 -","4","0.5","","Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.","Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes","Organometallics","2006","25","6","1377","1391","10.1021/om050922g","","","0.71073","MoKα","","0.1216","0.0873","","","0.2333","0.2727","","","","","","1.031","","","","has coordinates","209818","2020-10-21","18:00:00",""
"4074830","25.768","0.002","13.8071","0.0012","33.211","0.003","90","","101.197","0.002","90","","11590.9","1.7","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C105 H82 Cl12 N8 O8 P4 Rh2 -","- C100 H72 Cl2 N8 O8 P4 Rh2 -","- C400 H288 Cl8 N32 O32 P16 Rh8 -","4","1","","Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.","Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes","Organometallics","2006","25","6","1377","1391","10.1021/om050922g","","","0.71073","MoKα","","0.1111","0.0643","","","0.1586","0.1716","","","","","","0.988","","","","has coordinates","209818","2020-10-21","18:00:00",""
"4074831","9.5131","0.0003","10.7018","0.0004","13.63","0.0005","86.154","0.001","83.448","0.001","81.095","0.001","1360.23","0.08","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H28 Cl N2 O4 P Pd -","- C27 H28 Cl N2 O4 P Pd -","- C54 H56 Cl2 N4 O8 P2 Pd2 -","2","1","","Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.","Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes","Organometallics","2006","25","6","1377","1391","10.1021/om050922g","","","0.71073","MoKα","","0.0356","0.034","","","0.091","0.0924","","","","","","1.009","","","","has coordinates,has disorder","209818","2020-10-21","18:00:00",""
"4074832","15.6677","0.001","21.4096","0.0014","32.52","0.002","90","","90","","90","","10908.5","1.2","173","2","173","2","","","","","","","","7","P b c n","-P 2n 2ab","60","","","","- C56.75 H51.75 Cl5 N4 O4 P2 Pd -","- C51 H39 Cl N4 O4 P2 Pd -","- C408 H312 Cl8 N32 O32 P16 Pd8 -","8","1","","Landis, Clark R.; Nelson, Ryan C.; Jin, Wiechang; Bowman, Amanda C.","Synthesis, Characterization, and Transition-Metal Complexes of 3,4-Diazaphospholanes","Organometallics","2006","25","6","1377","1391","10.1021/om050922g","","","0.71073","MoKα","","0.0491","0.0406","","","0.1138","0.1182","","","","","","1.038","","","","has coordinates","209818","2020-10-21","18:00:00",""
"4074833","13.7411","0.0007","15.0842","0.0008","18.7681","0.0013","90","","93.375","0.003","90","","3883.4","0.4","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C43 H40 F6 N Ni O2 P -","- C43 H40 F6 N Ni O2 P -","- C172 H160 F24 N4 Ni4 O8 P4 -","4","1","","Zhang, Lei; Brookhart, Maurice; White, Peter S.","Synthesis, Characterization, and Ethylene Polymerization Activities of Neutral Nickel(II) Complexes Derived from Anilino-Substituted Enone Ligands Bearing Trifluoromethyl and Trifluoroacetyl Substituents","Organometallics","2006","25","8","1868","","10.1021/om050931p","","","0.71073","MoKα","","0.1148","0.0464","","0.0639","0.0487","0.0487","","","","","","1.1337","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074834","9.5817","0.0004","10.9073","0.0005","10.945","0.0005","111.17","0.003","108.944","0.003","97.324","0.003","969.28","0.08","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H21 F6 N O2 -","- C19 H21 F6 N O2 -","- C38 H42 F12 N2 O4 -","2","1","","Zhang, Lei; Brookhart, Maurice; White, Peter S.","Synthesis, Characterization, and Ethylene Polymerization Activities of Neutral Nickel(II) Complexes Derived from Anilino-Substituted Enone Ligands Bearing Trifluoromethyl and Trifluoroacetyl Substituents","Organometallics","2006","25","8","1868","","10.1021/om050931p","","","0.71073","MolybdenumKα","","0.057","0.043","","0.054","0.051","","","","","2.89","2.89","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074835","7.719","0.0012","9.4574","0.0015","11.3047","0.0017","75.083","0.006","78.299","0.006","81.459","0.007","776.8","0.2","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H13 F6 N O2 -","- C15 H13 F6 N O2 -","- C30 H26 F12 N2 O4 -","2","1","","Zhang, Lei; Brookhart, Maurice; White, Peter S.","Synthesis, Characterization, and Ethylene Polymerization Activities of Neutral Nickel(II) Complexes Derived from Anilino-Substituted Enone Ligands Bearing Trifluoromethyl and Trifluoroacetyl Substituents","Organometallics","2006","25","8","1868","","10.1021/om050931p","","","0.71073","MolybdenumKα","","0.058","0.041","","0.053","0.05","","","","","2.37","2.37","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074836","25.493","0.0008","25.493","0.0008","12.085","0.0003","90","","90","","90","","7854","0.4","293","2","293","2","","","","","","","","6","I 41/a :2","-I 4ad","88","Compound X","","","- C80 H60 Cl2 O4 P4 Ru -","- C80 H60 Cl2 O4 P4 Ru -","- C320 H240 Cl8 O16 P16 Ru4 -","4","0.25","","Bernechea, María; Lugan, Noël; Gil, Belén; Lalinde, Elena; Lavigne, Guy","Six-Coordinate Alkynyldiphenylphosphine Ruthenium(II) Complexes: Synthesis, Structure, and Catalytic Activity as ROMP Initiators","Organometallics","2006","25","3","684","","10.1021/om050935u","","","0.71073","MoKα","","0.0932","0.0514","","","0.124","0.1441","","","","","","1.044","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074837","11.788","0.0001","23.197","0.0003","23.268","0.0003","90","","91.751","0.001","90","","6359.58","0.13","173","1","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","MBN363","","","- C75 H67 Cl2 O P3 Ru -","- C75 H67 Cl2 O P3 Ru -","- C300 H268 Cl8 O4 P12 Ru4 -","4","1","","Bernechea, María; Lugan, Noël; Gil, Belén; Lalinde, Elena; Lavigne, Guy","Six-Coordinate Alkynyldiphenylphosphine Ruthenium(II) Complexes: Synthesis, Structure, and Catalytic Activity as ROMP Initiators","Organometallics","2006","25","3","684","","10.1021/om050935u","","","0.71073","MoKα","","0.0956","0.0522","","","0.1034","0.1188","","","","","","0.986","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074838","9.6818","0.0006","10.8761","0.0007","21.6405","0.0017","100.973","0.006","99.38","0.005","104.004","0.005","2117.7","0.3","208","2","208","2","","","","","","","","4","P -1","-P 1","2","","","","- C46.5 H64 Al N3 -","- C46.5 H60 Al N3 -","- C93 H120 Al2 N6 -","2","1","","Knijnenburg, Quinten; Smits, Jan M. M.; Budzelaar, Peter H. M.","Reaction of the Diimine Pyridine Ligand with Aluminum Alkyls: An Unexpectedly Complex Reaction","Organometallics","2006","25","4","1036","","10.1021/om050936m","","","0.71073","MoKα","","0.122","0.0701","","0.1802","0.1544","0.1802","","","1.032","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074839","12.8955","0.0015","16.811","0.003","17.1893","0.0019","87.81","0.019","79.367","0.011","89.436","0.018","3659.7","0.9","208","2","208","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H58 Al N3 -","- C39 H58 Al N3 -","- C156 H232 Al4 N12 -","4","2","","Knijnenburg, Quinten; Smits, Jan M. M.; Budzelaar, Peter H. M.","Reaction of the Diimine Pyridine Ligand with Aluminum Alkyls: An Unexpectedly Complex Reaction","Organometallics","2006","25","4","1036","","10.1021/om050936m","","","0.71073","MoKα","","0.1251","0.0749","","0.1431","0.1271","0.1431","","","1.099","","","1.099","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074840","10.653","0.003","16.9159","0.0015","21.622","0.003","90","","95.783","0.016","90","","3876.6","1.3","208","2","208","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C82 H124 Al2 N6 -","- C82 H124 Al2 N6 -","- C164 H248 Al4 N12 -","2","0.5","","Knijnenburg, Quinten; Smits, Jan M. M.; Budzelaar, Peter H. M.","Reaction of the Diimine Pyridine Ligand with Aluminum Alkyls: An Unexpectedly Complex Reaction","Organometallics","2006","25","4","1036","","10.1021/om050936m","","","0.71073","MoKα","","0.1022","0.0728","","0.1916","0.1737","0.1916","","","1.068","","","1.068","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074841","24.292","0.005","13.808","0.003","27.336","0.005","90","","102.06","0.02","90","","8967","3","208","2","208","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H51 Al2 Cl6 N3 -","- C40 H51 Al2 Cl6 N3 -","- C320 H408 Al16 Cl48 N24 -","8","2","","Knijnenburg, Quinten; Smits, Jan M. M.; Budzelaar, Peter H. M.","Reaction of the Diimine Pyridine Ligand with Aluminum Alkyls: An Unexpectedly Complex Reaction","Organometallics","2006","25","4","1036","","10.1021/om050936m","","","0.71073","MoKα","","0.1474","0.0968","","0.2422","0.2133","0.2422","","","1.042","","","1.042","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074842","13.1131","0.0015","14.23","0.002","22.256","0.003","90","","94.088","0.01","90","","4142.4","0.9","208","2","208","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H69 Al N3 -","- C44 H69 Al N3 -","- C176 H276 Al4 N12 -","4","1","","Knijnenburg, Quinten; Smits, Jan M. M.; Budzelaar, Peter H. M.","Reaction of the Diimine Pyridine Ligand with Aluminum Alkyls: An Unexpectedly Complex Reaction","Organometallics","2006","25","4","1036","","10.1021/om050936m","","","0.71073","MoKα","","0.2387","0.1456","","0.2946","0.2523","0.2946","","","1.131","","","1.131","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074843","7.777","0.0016","8.536","0.0017","8.748","0.0017","80.84","0.03","72.12","0.03","78.97","0.03","539.3","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H15 B O3 -","- C11 H15 B O3 -","- C22 H30 B2 O6 -","2","1","","Izmer, Vyatcheslav V.; Lebedev, Artyom Y.; Nikulin, Mikhail V.; Ryabov, Alexey N.; Asachenko, Andrei F.; Lygin, Alexander V.; Sorokin, Denis A.; Voskoboynikov, Alexander Z.","Palladium-Catalyzed Pathways to Aryl-Substituted Indenes: Efficient Synthesis of Ligands and the Respectiveansa-Zirconocenes","Organometallics","2006","25","5","1217","1229","10.1021/om050937e","","","0.71073","MoKα","","0.0649","0.0431","","","0.1197","0.1253","","","","","","1.045","","","","has coordinates","209814","2020-10-21","18:00:00",""
"4074844","9.961","0.003","13.732","0.004","16.317","0.004","66.73","0.004","82.08","0.005","74.276","0.004","1972.4","1","110","2","110","2","","","","","","","","5","P -1","-P 1","2","","","","- C49.5 H42 Cl2 Si Zr -","- C49.5 H41.5 Cl2 Si Zr -","- C99 H83 Cl4 Si2 Zr2 -","2","1","","Izmer, Vyatcheslav V.; Lebedev, Artyom Y.; Nikulin, Mikhail V.; Ryabov, Alexey N.; Asachenko, Andrei F.; Lygin, Alexander V.; Sorokin, Denis A.; Voskoboynikov, Alexander Z.","Palladium-Catalyzed Pathways to Aryl-Substituted Indenes: Efficient Synthesis of Ligands and the Respectiveansa-Zirconocenes","Organometallics","2006","25","5","1217","1229","10.1021/om050937e","","","0.71073","MoKα","","0.0833","0.0565","","","0.1336","0.1506","","","","","","0.979","","","","has coordinates","209814","2020-10-21","18:00:00",""
"4074845","10.373","0.002","22.669","0.005","17.646","0.004","90","","97.91","0.03","90","","4109.9","1.6","112","2","112","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H50 Cl2 S2 Si Zr -","- C45 H50 Cl2 S2 Si Zr -","- C180 H200 Cl8 S8 Si4 Zr4 -","4","1","","Izmer, Vyatcheslav V.; Lebedev, Artyom Y.; Nikulin, Mikhail V.; Ryabov, Alexey N.; Asachenko, Andrei F.; Lygin, Alexander V.; Sorokin, Denis A.; Voskoboynikov, Alexander Z.","Palladium-Catalyzed Pathways to Aryl-Substituted Indenes: Efficient Synthesis of Ligands and the Respectiveansa-Zirconocenes","Organometallics","2006","25","5","1217","1229","10.1021/om050937e","","","0.71073","MoKα","","0.1253","0.0733","","","0.1493","0.1934","","","","","","0.888","","","","has coordinates","209814","2020-10-21","18:00:00",""
"4074846","18.171","0.007","17.315","0.007","15.119","0.006","90","","97.587","0.009","90","","4715","3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37.5 H19 Cl N2 O15 Ru6 -","- C37.5 H19 Cl N2 O15 Ru6 -","- C150 H76 Cl4 N8 O60 Ru24 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylbutadiyne with a Hexaruthenium Dihydride. Unusual 1,1- andtrans-1,2-Additions of Two Hydrogen Atoms to an Internal CC Triple Bond","Organometallics","2006","25","6","1492","1499","10.1021/om050941q","","","0.71073","MoKα","","0.089","0.063","","","0.1485","0.1699","","","","","","1.05","","","","has coordinates","209868","2020-10-21","18:00:00",""
"4074847","17.567","0.004","12.218","0.003","18.911","0.004","90","","97.009","0.004","90","","4028.6","1.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H18 N2 O15 Ru6 -","- C37 H18 N2 O15 Ru6 -","- C148 H72 N8 O60 Ru24 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylbutadiyne with a Hexaruthenium Dihydride. Unusual 1,1- andtrans-1,2-Additions of Two Hydrogen Atoms to an Internal CC Triple Bond","Organometallics","2006","25","6","1492","1499","10.1021/om050941q","","","0.71073","MoKα","","0.0669","0.0498","","","0.1048","0.119","","","","","","1.073","","","","has coordinates","209868","2020-10-21","18:00:00",""
"4074848","12.5797","0.0001","31.0551","0.0004","12.7125","0.0002","90","","117.678","0.001","90","","4398.03","0.1","293","2","293","2","","","","","","","Synthesis. Crystallization from a CH~2~Cl~2~ / hexanes solution at room temperature by slow liquid-liquid difussion.","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H20 Cl2 N2 O15 Ru6 -","- C38 H20 Cl2 N2 O15 Ru6 -","- C152 H80 Cl8 N8 O60 Ru24 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylbutadiyne with a Hexaruthenium Dihydride. Unusual 1,1- andtrans-1,2-Additions of Two Hydrogen Atoms to an Internal CC Triple Bond","Organometallics","2006","25","6","1492","1499","10.1021/om050941q","","","1.5418","CuKα","","0.0331","0.0302","","","0.0784","0.0801","","","","","","1.083","","","","has coordinates","209868","2020-10-21","18:00:00",""
"4074849","13.978","0.006","15.679","0.007","18.975","0.008","90","","111.098","0.008","90","","3880","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H26 N2 O10 Ru5 -","- C39 H26 N2 O10 Ru5 -","- C156 H104 N8 O40 Ru20 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Diphenylbutadiyne with a Hexaruthenium Dihydride. Unusual 1,1- andtrans-1,2-Additions of Two Hydrogen Atoms to an Internal CC Triple Bond","Organometallics","2006","25","6","1492","1499","10.1021/om050941q","","","0.71073","MoKα","","0.0438","0.0351","","","0.0699","0.077","","","","","","1.197","","","","has coordinates","209868","2020-10-21","18:00:00",""
"4074850","14.975","0.005","8.088","0.005","16.133","0.005","90","0.005","106.651","0.005","90","0.005","1872.1","1.4","200","2","200","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C16 H24 B N4 Rh S2 -","- C16 H24 B N4 Rh S2 -","- C64 H96 B4 N16 Rh4 S8 -","4","1","","Crossley, Ian R.; Hill, Anthony F.; Humphrey, Elizabeth R.; Smith, Matthew K.","A Less Carbocentric View of Agostic Interactions: The Complexes [Rh(η4-cod){H2A(mt)2}] (A = B, C+; mt = Methimazolyl)","Organometallics","2006","25","9","2242","","10.1021/om050942i","","","0.71069","MoKα","","0.0376","0.027","","","0.064","0.0683","","","","","","1.042","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074851","10.121","0.005","10.293","0.005","10.705","0.005","91.279","0.005","93.935","0.005","112.567","0.005","1025.9","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H24 B F4 N4 Rh S2 -","- C17 H24 B F4 N4 Rh S2 -","- C34 H48 B2 F8 N8 Rh2 S4 -","2","1","","Crossley, Ian R.; Hill, Anthony F.; Humphrey, Elizabeth R.; Smith, Matthew K.","A Less Carbocentric View of Agostic Interactions: The Complexes [Rh(η4-cod){H2A(mt)2}] (A = B, C+; mt = Methimazolyl)","Organometallics","2006","25","9","2242","","10.1021/om050942i","","","0.71069","MoKα","","0.0425","0.0371","","","0.0984","0.1029","","","","","","1.041","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074852","10.188","0.005","10.712","0.005","11.05","0.005","87.467","0.005","87.69","0.005","67.582","0.005","1113.3","0.9","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C17 H24 F6 N4 P Rh S2 -","- C17 H24 F6 N4 P Rh S2 -","- C34 H48 F12 N8 P2 Rh2 S4 -","2","1","","Crossley, Ian R.; Hill, Anthony F.; Humphrey, Elizabeth R.; Smith, Matthew K.","A Less Carbocentric View of Agostic Interactions: The Complexes [Rh(η4-cod){H2A(mt)2}] (A = B, C+; mt = Methimazolyl)","Organometallics","2006","25","9","2242","","10.1021/om050942i","","","0.71069","MoKα","","0.0592","0.0381","","","0.0879","0.0986","","","","","","1.004","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074853","12.988","0.003","11.315","0.002","15.295","0.003","90","","96.59","0.03","90","","2232.9","0.8","200","2","200","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Cl3 F6 N4 O2 P Rh S2 -","- C12 H13 Cl3 F6 N4 O2 P Rh S2 -","- C48 H52 Cl12 F24 N16 O8 P4 Rh4 S8 -","4","1","","Crossley, Ian R.; Hill, Anthony F.; Humphrey, Elizabeth R.; Smith, Matthew K.","A Less Carbocentric View of Agostic Interactions: The Complexes [Rh(η4-cod){H2A(mt)2}] (A = B, C+; mt = Methimazolyl)","Organometallics","2006","25","9","2242","","10.1021/om050942i","","","0.71073","MoKα","","0.0612","0.0365","","","0.0845","0.0971","","","","","","1.031","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074854","17.146","0.005","22.332","0.005","17.492","0.005","90","","106.448","0.005","90","","6424","3","200","2","200","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C55 H62 B2 Cl2 F8 N12 Rh2 S4 -","- C55 H62 B2 Cl1.5 F8 N12 Rh2 S4 -","- C220 H248 B8 Cl6 F32 N48 Rh8 S16 -","4","0.5","","Crossley, Ian R.; Hill, Anthony F.; Humphrey, Elizabeth R.; Smith, Matthew K.","A Less Carbocentric View of Agostic Interactions: The Complexes [Rh(η4-cod){H2A(mt)2}] (A = B, C+; mt = Methimazolyl)","Organometallics","2006","25","9","2242","","10.1021/om050942i","","","0.71069","MoKα","","0.0682","0.0461","","","0.1202","0.1336","","","","","","1.034","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074855","18.004","0.003","12.8101","0.0018","26.044","0.004","90","","108.826","0.002","90","","5685.3","1.5","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C66 H58 Cl N Ni P2 -","- C66 H58 Cl N Ni P2 -","- C264 H232 Cl4 N4 Ni4 P8 -","4","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.1454","0.0543","","","0.1261","0.1748","","","","","","1.018","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074856","17.1579","0.0004","9.4672","0.0002","22.0701","0.0006","90","","110.489","0.0009","90","","3358.22","0.14","298","","","","","","","","","","Local laboratory","5","P 1 21/a 1","-P 2yab","14","","","","- C40 H37 N Ni P2 -","- C40 H37 N Ni P2 -","- C160 H148 N4 Ni4 P8 -","4","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.0617","0.0419","","","0.1269","0.1418","","","","","","0.997","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074857","24.288","0.0007","9.732","0.0003","18.409","0.0007","90","","113.052","0.001","90","","4003.9","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C48 H40 Br N Ni P2 -","- C48 H40 Br N Ni P2 -","- C192 H160 Br4 N4 Ni4 P8 -","4","0.5","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.1015","0.0654","","","0.1418","0.1803","","","","","","1.214","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074858","12.264","0.0001","9.971","0.0002","20.371","0.0003","90","","95.675","0.001","90","","2478.85","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H36 Cl N Ni P2 -","- C24 H36 Cl N Ni P2 -","- C96 H144 Cl4 N4 Ni4 P8 -","4","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.0368","0.0324","","","0.0867","0.0956","","","","","","1.124","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074859","9.878","0.0003","18.387","0.0005","32.692","0.001","90","","90","","90","","5937.7","0.3","150","2","150","2","","","","","","","","5","F 2 d d","F -2d 2","43","","","","- C37 H31 N Ni P2 -","- C37 H28 N Ni P2 -","- C296 H224 N8 Ni8 P16 -","8","0.5","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.0584","0.0529","","","0.1429","0.1539","","","","","","1.09","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074860","12.261","0.0003","9.935","0.0002","20.708","0.0007","90","","96.002","0.001","90","","2508.68","0.12","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H39 N Ni P2 -","- C25 H39 N Ni P2 -","- C100 H156 N4 Ni4 P8 -","4","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.0957","0.0583","","","0.133","0.1581","","","","","","1.098","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074861","18.285","0.0005","18.285","0.0005","10.402","0.0005","90","","90","","90","","3477.8","0.2","200","2","200","2","","","","","","","","5","P n c a","-P 2a 2n","60","","","","- C37 H55 N Ni P2 -","- C37 H52 N Ni P2 -","- C148 H208 N4 Ni4 P8 -","4","0.5","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","mokα","","0.1025","0.0609","","","0.1518","0.1931","","","","","","0.978","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074862","18.084","0.0003","8.585","0.0002","19.323","0.0004","90","","107.576","0.001","90","","2859.87","0.1","200","2","200","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C28 H45 N Ni P2 -","- C28 H45 N Ni P2 -","- C112 H180 N4 Ni4 P8 -","4","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.0804","0.0532","","","0.1235","0.1491","","","","","","1.194","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074863","10.289","0.0001","10.924","0.0002","19.307","0.0003","82.516","0.001","76.763","0.001","63.967","0.001","1896.98","0.05","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H62 Li N O P2 -","- C40 H62 Li N O P2 -","- C80 H124 Li2 N2 O2 P4 -","2","1","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.0574","0.0456","","","0.1183","0.1338","","","","","","1.053","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074864","10.9794","0.0002","15.7917","0.0004","20.8066","0.0004","96.604","0.002","94.5042","0.0014","90.539","0.0008","3571.9","0.13","298","","","","","","","","","","Local laboratory","6","P -1","-P 1","2","","","","- C40 H39 N Ni P2 Si -","- C40 H39 N Ni P2 Si -","- C160 H156 N4 Ni4 P8 Si4 -","4","2","","Liang, Lan-Chang; Chien, Pin-Shu; Lin, Jia-Ming; Huang, Mei-Hui; Huang, Yu-Lun; Liao, Ju-Hsiou","Amido Pincer Complexes of Nickel(II): Synthesis, Structure, and Reactivity","Organometallics","2006","25","6","1399","1411","10.1021/om050943a","","","0.71073","MoKα","","0.15","0.067","","0.197","0.162","0.162","","","2.854","3.008","3.008","2.962","","","","has coordinates","209807","2020-10-21","18:00:00",""
"4074865","17.558","0.001","7.936","0.001","23.267","0.001","90","","97.76","0.01","90","","3212.3","0.5","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 N O Zr -","- C18 H21 N O Zr -","- C144 H168 N8 O8 Zr8 -","8","2","","Cummings, Sarah A.; Radford, Robert; Erker, Gerhard; Kehr, Gerald; Fröhlich, Roland","Formation of a Dynamic η2(O,N)-Hydroxylaminato Zirconocene Complex by Nitrosoarene Insertion into a Zr−C σ-Bond","Organometallics","2006","25","4","839","","10.1021/om050946n","","","0.71073","MoKα","","0.0449","0.0315","","","0.0701","0.0754","","","","","","1.032","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074866","11.088","0.006","12.012","0.004","12.627","0.005","90","","101.95","0.04","90","","1645.3","1.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","penta(m2-hydrido)-tris(h5-pentamethylcyclopentadienyl)- molybdenum-diruthenium","","- C32 H54 Mo Ru2 -","- C32 H54 Mo Ru2 -","- C64 H108 Mo2 Ru4 -","2","1","","Ito, Jun-ichi; Shima, Takanori; Suzuki, Hiroharu","Synthesis of Group 8-Group 6 Heterotrimetallic Polyhydrido Complexes Having Only a C~5~Me~5~ Group as Auxiliary Ligand","Organometallics","2006","25","6","1333","1336","10.1021/om050963c","","","0.71069","MoKα","","0.052","0.0432","","","0.0982","0.1026","","","","","","1.05","","","","has coordinates","209845","2020-10-21","18:00:00",""
"4074867","11.116","0.008","12","0.01","12.624","0.01","90","","101.78","0.03","90","","1648","2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","penta(m2-hydrido)-tris(h5-pentamethylcyclopentadienyl)- diruthenium-tungsten","","- C32 H54 Ru2 W -","- C32 H54 Ru2 W -","- C64 H108 Ru4 W2 -","2","1","","Ito, Jun-ichi; Shima, Takanori; Suzuki, Hiroharu","Synthesis of Group 8-Group 6 Heterotrimetallic Polyhydrido Complexes Having Only a C~5~Me~5~ Group as Auxiliary Ligand","Organometallics","2006","25","6","1333","1336","10.1021/om050963c","","","0.71069","MoKα","","0.0355","0.0347","","","0.0871","0.0879","","","","","","1.033","","","","has coordinates","209845","2020-10-21","18:00:00",""
"4074868","8.039","0.008","11.224","0.016","19.51","0.03","94.46","0.03","100.65","0.03","110.17","0.03","1605","4","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","penta(m2-hydrido)-tris(h5-pentamethylcyclopentadienyl)-dihydrido- ruthenium-ditungsten","","- C31 H54 Ru W2 -","- C31 H47 Ru W2 -","- C62 H94 Ru2 W4 -","2","1","","Ito, Jun-ichi; Shima, Takanori; Suzuki, Hiroharu","Synthesis of Group 8-Group 6 Heterotrimetallic Polyhydrido Complexes Having Only a C~5~Me~5~ Group as Auxiliary Ligand","Organometallics","2006","25","6","1333","1336","10.1021/om050963c","","","0.71069","MoKα","","0.0781","0.0702","","","0.1934","0.2018","","","","","","1.055","","","","has coordinates","209845","2020-10-21","18:00:00",""
"4074869","11.6288","0.0006","15.7867","0.0008","21.058","0.0011","90","","90","","90","","3865.8","0.3","293","2","293","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H44 B F4 N O P2 Pt -","- C44 H44 B F4 N O P2 Pt -","- C176 H176 B4 F16 N4 O4 P8 Pt4 -","4","1","","Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing","Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations","Organometallics","2006","25","5","1259","1269","10.1021/om0509645","","","0.71073","MoKα","","0.0517","0.0412","","","0.061","0.0632","","","","","","0.982","","","","has coordinates,has disorder","209819","2020-10-21","18:00:00",""
"4074870","11.6176","0.0005","8.5768","0.0004","13.8038","0.0006","90","","103.831","0.001","90","","1335.56","0.1","323","2","323","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H28 Cl2 O P2 Pt -","- C30 H28 Cl2 O P2 Pt -","- C60 H56 Cl4 O2 P4 Pt2 -","2","1","","Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing","Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations","Organometallics","2006","25","5","1259","1269","10.1021/om0509645","","","0.71073","MoKα","","0.0414","0.0355","","","0.0806","0.1098","","","","","","1.072","","","","has coordinates","209819","2020-10-21","18:00:00",""
"4074871","11.6519","0.0006","15.9927","0.0007","21.0891","0.001","90","","90","","90","","3929.9","0.3","223","2","223","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H44 B F4 N O2 P2 Pt -","- C44 H44 B F4 N O2 P2 Pt -","- C176 H176 B4 F16 N4 O8 P8 Pt4 -","4","1","","Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing","Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations","Organometallics","2006","25","5","1259","1269","10.1021/om0509645","","","0.71073","MoKα","","0.0729","0.0518","","","0.0891","0.0934","","","","","","1.033","","","","has coordinates","209819","2020-10-21","18:00:00",""
"4074872","21.6188","0.0005","21.6188","0.0005","54.139","0.003","90","","90","","120","","21913.1","1.4","223","2","223","2","","","","","","","","10","R 3 :H","R 3","146","","","","- C50 H47 B Cl F4 N O P2 Pt Se -","- C50 H47 B Cl F4 N O P2 Pt Se -","- C900 H846 B18 Cl18 F72 N18 O18 P36 Pt18 Se18 -","18","2","","Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing","Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations","Organometallics","2006","25","5","1259","1269","10.1021/om0509645","","","0.71073","MoKα","","0.0417","0.0345","","","0.0757","0.0785","","","","","","1.005","","","","has coordinates,has disorder","209819","2020-10-21","18:00:00",""
"4074873","11.6888","0.0007","15.9987","0.001","21.0154","0.0013","90","","90","","90","","3930","0.4","223","2","223","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C44 H44 B F4 N O3 P2 Pt -","- C44 H44 B F4 N O3 P2 Pt -","- C176 H176 B4 F16 N4 O12 P8 Pt4 -","4","1","","Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing","Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations","Organometallics","2006","25","5","1259","1269","10.1021/om0509645","","","0.71073","MoKα","","0.0386","0.0345","","","0.0774","0.0791","","","","","","1.014","","","","has coordinates,has disorder","209819","2020-10-21","18:00:00",""
"4074874","10.4452","0.0006","18.4475","0.0012","42.096","0.002","90","","90","","90","","8111.4","0.8","293","2","293","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C44 H45 B F4 N2 O2 P2 Pt -","- C44 H45 B F4 N2 O2 P2 Pt -","- C352 H360 B8 F32 N16 O16 P16 Pt8 -","8","1","","Yeo, Wee-Chuan; Vittal, Jagadese J.; Koh, Lip Lin; Tan, Geok Kheng; Leung, Pak-Hing","Functionalization of Metal-Protected Chiral Phosphines via Simple Organic Transformations","Organometallics","2006","25","5","1259","1269","10.1021/om0509645","","","0.71073","MoKα","","0.06","0.0451","","","0.0908","0.0961","","","","","","1.036","","","","has coordinates,has disorder","209819","2020-10-21","18:00:00",""
"4074875","18.733","0.002","15.9994","0.0017","19.453","0.002","90","","95.807","0.009","90","","5800.5","1.1","180","","180","","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H11 B F15 V -","- C28 H11 B F15 V -","- C224 H88 B8 F120 V8 -","8","1","","Choukroun, Robert; Lorber, Christian; Vendier, Laure; Lepetit, Christine","Vanadocene-Mediated Ionization of Water in the Aqua Species [H2O·B(C6F5)3]: Structural Characterization of the Hydride and Hydroxide Complexes [Cp2V(μ-H)B(C6F5)3] and [Cp2V(μ-OH)B(C6F5)3]","Organometallics","2006","25","7","1551","","10.1021/om050965x","","","","MoKα","","0.1973","0.0493","","","0.1052","0.1344","","","","","","0.743","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074876","11.9753","0.0009","17.2725","0.0013","12.4722","0.0009","90","","103.225","0.006","90","","2511.4","0.3","180","","180","","","","","","","","synthesis as described","6","P 1 21/n 1","-P 2yn","14","","","","- C28 H11 B F15 O V -","- C28 H11 B F15 O V -","- C112 H44 B4 F60 O4 V4 -","4","1","","Choukroun, Robert; Lorber, Christian; Vendier, Laure; Lepetit, Christine","Vanadocene-Mediated Ionization of Water in the Aqua Species [H2O·B(C6F5)3]: Structural Characterization of the Hydride and Hydroxide Complexes [Cp2V(μ-H)B(C6F5)3] and [Cp2V(μ-OH)B(C6F5)3]","Organometallics","2006","25","7","1551","","10.1021/om050965x","","","0.71073","MoKα","","0.0575","0.0318","","","0.0582","0.0637","","","","","","0.907","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074877","7.5379","0.0004","11.8576","0.0006","15.3064","0.0007","79.215","0.001","78.105","0.001","83.323","0.001","1310.78","0.11","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.5 H33 B N6 O2 Ru -","- C18 H17 B N6 O2 Ru -","- C36 H34 B2 N12 O4 Ru2 -","2","1","","Lee, John P.; Pittard, Karl A.; DeYonker, Nathan J.; Cundari, Thomas R.; Gunnoe, T. Brent; Petersen, Jeffrey L.","Reactions of a Ru(II) Phenyl Complex with Substrates that Possess C‒N or C‒O Multiple Bonds: C‒C Bond Formation, N‒H Bond Cleavage, and Decarbonylation Reactions","Organometallics","2006","25","6","1500","1510","10.1021/om050967h","","","0.71073","MoKα","","0.0414","0.0366","","","0.0945","0.0968","","","","","","1.029","","","","has coordinates","209836","2020-10-21","18:00:00",""
"4074878","11.42","0.02","14.78","0.03","17.18","0.03","90","","105.5","0.1","90","","2794","9","198.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 P Rh -","- C36 H32 P Rh -","- C144 H128 P4 Rh4 -","4","1","","Onitsuka, Kiyotaka; Yamamoto, Mari; Mori, Tomoko; Takei, Fumie; Takahashi, Shigetoshi","Living Polymerization of Bulky Aryl Isocyanide with Arylrhodium Complexes","Organometallics","2006","25","5","1270","1278","10.1021/om0509692","","","0.7107","MoKα","","","0.0517","","","","0.076","","","","","","1.14","","","","has coordinates","209855","2020-10-21","18:00:00",""
"4074879","10.2492","0.0007","29.368","0.001","11.0728","0.0008","90","","99.791","0.001","90","","3284.4","0.3","150","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C34 H48 P2 Si -","- C34 H48 P2 Si -","- C136 H192 P8 Si4 -","4","1","","Ito, Shigekazu; Nishide, Katsunori; Yoshifuji, Masaaki","Structural and Coordination Properties of 3,3-Diphenyl-1- (2,4,6-tri-tert-butylphenyl)-2-(trimethylsilyl)-1,3-diphosphapropene Derivatives Showing Interesting Conformational Features","Organometallics","2006","25","6","1424","1430","10.1021/om050972l","","","0.7107","MoKα","","","0.0462","","","","0.1029","","","","","","1.005","","","","has coordinates","209852","2020-10-21","18:00:00",""
"4074880","17.595","0.001","10.7937","0.0007","21.0617","0.0008","90","","95.979","0.003","90","","3978.2","0.4","223","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H48 O5 P2 Si W -","- C39 H39 O5 P2 Si W -","- C156 H156 O20 P8 Si4 W4 -","4","1","","Ito, Shigekazu; Nishide, Katsunori; Yoshifuji, Masaaki","Structural and Coordination Properties of 3,3-Diphenyl-1- (2,4,6-tri-tert-butylphenyl)-2-(trimethylsilyl)-1,3-diphosphapropene Derivatives Showing Interesting Conformational Features","Organometallics","2006","25","6","1424","1430","10.1021/om050972l","","","0.7107","MoKα","","","0.0512","","","","0.1056","","","","","","1.079","","","","has coordinates","209852","2020-10-21","18:00:00",""
"4074881","11.203","0.005","19.351","0.005","9.385","0.004","98.04","0.02","102.946","0.006","95.85","0.02","1944.6","1.3","223","","","","","","","","","","","6","P -1","-P 1","2","","","","- C38 H48 O4 P2 Si W -","- C38 H48 O4 P2 Si W -","- C76 H96 O8 P4 Si2 W2 -","2","1","","Ito, Shigekazu; Nishide, Katsunori; Yoshifuji, Masaaki","Structural and Coordination Properties of 3,3-Diphenyl-1- (2,4,6-tri-tert-butylphenyl)-2-(trimethylsilyl)-1,3-diphosphapropene Derivatives Showing Interesting Conformational Features","Organometallics","2006","25","6","1424","1430","10.1021/om050972l","","","0.7107","MoKα","","","0.0733","","","","0.0885","","","","","","1.464","","","","has coordinates","209852","2020-10-21","18:00:00",""
"4074882","17.706","0.002","27.18","0.002","13.821","0.002","90","","90","","90","","6651.3","1.3","133","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H48 P2 S Si -","- C34 H48 P2 S Si -","- C272 H384 P16 S8 Si8 -","8","2","","Ito, Shigekazu; Nishide, Katsunori; Yoshifuji, Masaaki","Structural and Coordination Properties of 3,3-Diphenyl-1- (2,4,6-tri-tert-butylphenyl)-2-(trimethylsilyl)-1,3-diphosphapropene Derivatives Showing Interesting Conformational Features","Organometallics","2006","25","6","1424","1430","10.1021/om050972l","","","0.7107","MoKα","","","0.0604","","","","0.1489","","","","","","1.193","","","","has coordinates","209852","2020-10-21","18:00:00",""
"4074883","17.961","0.005","14.094","0.003","19.103","0.005","90","","110.279","0.004","90","","4536","2","223","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H52 Cl6 P2 Pd Si -","- C36 H50 Cl6 P2 Pd Si -","- C144 H200 Cl24 P8 Pd4 Si4 -","4","1","","Ito, Shigekazu; Nishide, Katsunori; Yoshifuji, Masaaki","Structural and Coordination Properties of 3,3-Diphenyl-1- (2,4,6-tri-tert-butylphenyl)-2-(trimethylsilyl)-1,3-diphosphapropene Derivatives Showing Interesting Conformational Features","Organometallics","2006","25","6","1424","1430","10.1021/om050972l","","","0.7107","MoKα","","","0.1364","","","","0.355","","","","","","1.831","","","","has coordinates","209852","2020-10-21","18:00:00",""
"4074884","8.8061","0.0005","14.668","0.0008","27.1709","0.0017","90","","90","","90","","3509.6","0.4","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Cl F6 N O P Ru Sb -","- C34 H38 Cl F6 N O P Ru Sb -","- C136 H152 Cl4 F24 N4 O4 P4 Ru4 Sb4 -","4","1","","Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana","Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions","Organometallics","2006","25","7","1592","","10.1021/om050973d","","","0.71073","MoKα","","0.0356","0.0321","","","0.0793","0.0813","","","","","","1.046","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074885","10.3448","0.0007","15.1685","0.0008","11.5034","0.0007","90","","95.782","0.005","90","","1795.87","0.19","200","2","200","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C38 H36 Cl F6 N O P Ru Sb -","- C38 H36 Cl F6 N O P Ru Sb -","- C76 H72 Cl2 F12 N2 O2 P2 Ru2 Sb2 -","2","1","","Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana","Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions","Organometallics","2006","25","7","1592","","10.1021/om050973d","","","0.71073","MoKα","","0.0512","0.0427","","","0.1048","0.1112","","","","","","1.079","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074886","8.8403","0.0009","14.6825","0.0016","27.236","0.002","90","","90","","90","","3535.2","0.6","200","2","200","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C34 H38 Cl F6 N O Os P Sb -","- C34 H38 Cl F5.994 N O Os P Sb0.999 -","- C136 H152 Cl4 F23.976 N4 O4 Os4 P4 Sb3.996 -","4","1","","Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana","Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions","Organometallics","2006","25","7","1592","","10.1021/om050973d","","","0.71073","MoKα","","0.0511","0.0394","","","0.0821","0.0877","","","","","","1.033","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074887","10.3493","0.0015","10.9548","0.0016","17.044","0.002","90","","94.73","0.003","90","","1925.8","0.5","150","2","150","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C36 H40 F6 N O8 P Ru S2 -","- C36 H40 F6 N O8 P Ru S2 -","- C72 H80 F12 N2 O16 P2 Ru2 S4 -","2","1","","Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana","Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions","Organometallics","2006","25","7","1592","","10.1021/om050973d","","","0.6894","synchrotron","","0.0363","0.0347","","","0.0897","0.0909","","","","","","1.023","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074888","9.9134","0.0006","25.1523","0.0015","13.8912","0.0008","90","","99.555","0.001","90","","3415.6","0.4","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C34 H38 F8 N O3 P3 Ru -","- C34 H38 F8 N O3 P3 Ru -","- C136 H152 F32 N4 O12 P12 Ru4 -","4","2","","Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana","Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions","Organometallics","2006","25","7","1592","","10.1021/om050973d","","","0.71073","MoKα","","0.049","0.0418","","","0.0828","0.0863","","","","","","1.008","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074889","11.3401","0.0008","18.2209","0.0012","20.7142","0.0013","90","","90","","90","","4280.1","0.5","200","0.2","200","0.2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","(eta-6-p-cymene){(3aS,8aR)-2-(2-diphenylphosphinophenyl)-3a,8a- dihydroindane[1,2-d]oxazole}(methacrolein)ruthenium(ii) bis(hexafluoroantimoniate)","","- C42 H42 F12 N O2 P Ru Sb2 -","- C42 H42 F12 N O2 P Ru Sb2 -","- C168 H168 F48 N4 O8 P4 Ru4 Sb8 -","4","1","","Carmona, Daniel; Vega, Cristina; García, Néstor; Lahoz, Fernando J.; Elipe, Sergio; Oro, Luis A.; Lamata, M. Pilar; Viguri, Fernando; Borao, Rosana","Chiral Phosphinooxazoline−Ruthenium(II) and −Osmium(II) Complexes as Catalysts in Diels−Alder Reactions","Organometallics","2006","25","7","1592","","10.1021/om050973d","","","0.71073","MoKα","","0.0636","0.0431","","0.095","0.0817","","","","1.058","1.031","1.031","","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4074890","16.0892","0.0003","18.456","0.0004","20.1698","0.0004","90","","90","","90","","5989.3","0.2","173","","173","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C29 H38 B N7 O W -","- C29 H38 B N7 O W -","- C232 H304 B8 N56 O8 W8 -","8","1","","Garrett, Andrew D.; Vogeley, Neil J.; Varner, James R.; White, Peter S.; Templeton, Joseph L.","Reactivity Relationships between Chiral Cyclic Amido and Imine Tungsten(II) Complexes","Organometallics","2006","25","7","1728","","10.1021/om0509746","","","0.71073","MolybdenumKα","","0.051","0.027","","0.026","0.024","","","","","1.55","1.55","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074891","10.9323","0.0005","16.8686","0.0007","18.2165","0.0008","79.961","0.001","81.853","0.001","89.124","0.001","3274.4","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C65 H92 B2 N14 O2 W2 -","- C65 H92 B2 N14 O2 W2 -","- C130 H184 B4 N28 O4 W4 -","2","1","","Garrett, Andrew D.; Vogeley, Neil J.; Varner, James R.; White, Peter S.; Templeton, Joseph L.","Reactivity Relationships between Chiral Cyclic Amido and Imine Tungsten(II) Complexes","Organometallics","2006","25","7","1728","","10.1021/om0509746","","","0.71073","MolybdenumKα","","0.047","0.031","","0.037","0.035","","","","","1.28","1.28","","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074892","12.4266","0.0004","16.0186","0.0005","17.8952","0.0006","91.195","0.002","102.85","0.002","107.838","0.002","3290.76","0.19","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C61 H49 B2 F24 N7 O W -","- C61 H49 B2 F24 N7 O W -","- C122 H98 B4 F48 N14 O2 W2 -","2","1","","Garrett, Andrew D.; Vogeley, Neil J.; Varner, James R.; White, Peter S.; Templeton, Joseph L.","Reactivity Relationships between Chiral Cyclic Amido and Imine Tungsten(II) Complexes","Organometallics","2006","25","7","1728","","10.1021/om0509746","","","0.71073","MolybdenumKα","","0.084","0.058","","0.064","0.06","","","","","1.85","1.85","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074893","14.288","0.003","12.824","0.003","35.951","0.007","90","","92.968","0.012","90","","6578","2","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C62 H51 B2 F24 N7 O W -","- C62 H51 B2 F24 N7 O W -","- C248 H204 B8 F96 N28 O4 W4 -","4","1","","Garrett, Andrew D.; Vogeley, Neil J.; Varner, James R.; White, Peter S.; Templeton, Joseph L.","Reactivity Relationships between Chiral Cyclic Amido and Imine Tungsten(II) Complexes","Organometallics","2006","25","7","1728","","10.1021/om0509746","","","0.71073","MoKα","","0.0596","0.0433","","","0.0963","0.1034","","","","","","1.037","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074894","10.367","0.002","25.806","0.005","11.119","0.002","90","","108.74","0.03","90","","2817","1","230","1","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","4","Bis[N-(dimethylamino)benzimidato-N,O]diphenylsilicon(IV)","","- C30 H32 N4 O2 Si -","- C30 H32 N4 O2 Si -","- C120 H128 N16 O8 Si4 -","4","1","","Kalikhman, Inna; Gostevskii, Boris; Botoshansky, Mark; Kaftory, Menahem; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel","Octahedral and Bicapped-Tetrahedral Silicon Configurations in the Solid State and Their Dynamic Coexistence in Solution","Organometallics","2006","25","5","1252","1258","10.1021/om0509802","","","0.71073","MoKα","","0.0958","0.0472","","","0.1096","0.1254","","","","","","0.962","","","","has coordinates","209804","2020-10-21","18:00:00",""
"4074895","34.89","0.003","9.3494","0.0008","15.8794","0.0013","90","","114.996","0.001","90","","4694.7","0.7","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","5","Bis[N'-(dimethylamino)N"",N""-(dimethyl)carbamoimidato-N,O]diphenylsilicon(IV)","","- C22 H34 N6 O2 Si -","- C22 H34 N6 O2 Si -","- C176 H272 N48 O16 Si8 -","8","1","","Kalikhman, Inna; Gostevskii, Boris; Botoshansky, Mark; Kaftory, Menahem; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel","Octahedral and Bicapped-Tetrahedral Silicon Configurations in the Solid State and Their Dynamic Coexistence in Solution","Organometallics","2006","25","5","1252","1258","10.1021/om0509802","","","0.71073","MoKα","","0.0585","0.0468","","","0.1073","0.1127","","","","","","1.061","","","","has coordinates","209804","2020-10-21","18:00:00",""
"4074896","9.225","0.002","10.709","0.002","22.519","0.004","90","","99.66","0.03","90","","2193.1","0.8","230","1","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6","Bis[N-(isopropylideneimino)acetimidato-N,O]diphenylsilicon(IV)","","- C22 H28 N4 O2 Si -","- C22 H28 N4 O2 Si -","- C88 H112 N16 O8 Si4 -","4","1","","Kalikhman, Inna; Gostevskii, Boris; Botoshansky, Mark; Kaftory, Menahem; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel","Octahedral and Bicapped-Tetrahedral Silicon Configurations in the Solid State and Their Dynamic Coexistence in Solution","Organometallics","2006","25","5","1252","1258","10.1021/om0509802","","","0.71073","MoKα","","0.1366","0.0617","","","0.15","0.1775","","","","","","0.963","","","","has coordinates","209804","2020-10-21","18:00:00",""
"4074897","13.576","0.0009","8.0012","0.0005","16.4807","0.0011","90","","90","","90","","1790.2","0.2","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","8","Bis[N-(cyclopentylideneimino)acetimidato-N,O]dimethylsilicon(IV)","","- C16 H28 N4 O2 Si -","- C16 H28 N4 O2 Si -","- C64 H112 N16 O8 Si4 -","4","0.5","","Kalikhman, Inna; Gostevskii, Boris; Botoshansky, Mark; Kaftory, Menahem; Tessier, Claire A.; Panzner, Matthew J.; Youngs, Wiley J.; Kost, Daniel","Octahedral and Bicapped-Tetrahedral Silicon Configurations in the Solid State and Their Dynamic Coexistence in Solution","Organometallics","2006","25","5","1252","1258","10.1021/om0509802","","","0.71073","MoKα","","0.042","0.0402","","","0.1028","0.1039","","","","","","1.109","","","","has coordinates","209804","2020-10-21","18:00:00",""
"4074898","6.4292","0.0002","18.6655","0.0004","19.2969","0.0005","90","","90","","90","","2315.71","0.11","143","2","143","2","","","","","","","","5","P b c m","-P 2c 2b","57","","","","- C22 H22 Ag Au P2 -","- C22 H22 Ag Au P2 -","- C88 H88 Ag4 Au4 P8 -","4","0.5","","Schuster, Oliver; Monkowius, Uwe; Schmidbaur, Hubert; Ray, R. Shyama; Krüger, Sven; Rösch, Notker","Unexpected Structural Preference for Aggregates with Metallophilic Ag- - -Au Contacts in (Trimethylphosphine)silver(I) and -gold(I) Phenylethynyl Complexes. An Experimental and Theoretical Study","Organometallics","2006","25","4","1004","","10.1021/om050985z","","","0.71073","MoKα","","0.0577","0.0523","","","0.1032","0.1061","","","","","","1.128","","","","has coordinates,has disorder","178637","2020-10-21","18:00:00",""
"4074899","33.0696","0.0004","9.9668","0.0002","18.6939","0.0003","90","","123.98","0.0006","90","","5109.28","0.15","143","2","143","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C54 H48 Ag3 Au3 P2 -","- C54 H48 Ag3 Au3 P2 -","- C216 H192 Ag12 Au12 P8 -","4","1","","Schuster, Oliver; Monkowius, Uwe; Schmidbaur, Hubert; Ray, R. Shyama; Krüger, Sven; Rösch, Notker","Unexpected Structural Preference for Aggregates with Metallophilic Ag- - -Au Contacts in (Trimethylphosphine)silver(I) and -gold(I) Phenylethynyl Complexes. An Experimental and Theoretical Study","Organometallics","2006","25","4","1004","","10.1021/om050985z","","","0.71073","MoKα","","0.0396","0.0371","","","0.0941","0.0959","","","","","","1.069","","","","has coordinates","178637","2020-10-21","18:00:00",""
"4074900","8.6558","0.0001","16.415","0.0003","10.0677","0.0002","90","","97.3783","0.0006","90","","1418.62","0.04","123","1","123","1","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C31 H21 B F4 Mo N4 O2 -","- C31 H21 B F4 Mo N4 O2 -","- C62 H42 B2 F8 Mo2 N8 O4 -","2","1","","Pereira, Cláudia C. L.; Costa, Paulo J.; Calhorda, Maria José; Freire, Cristina; Rodrigues, Sandra S.; Herdtweck, Eberhardt; Romão, Carlos C.","Ring Slippage vs Charge Transfer in the Reductive Chemistry of [IndMo(CO)2(α-diimine)]+Cations","Organometallics","2006","25","22","5223","","10.1021/om050986r","","","0.71073","MoKα","","0.0253","0.0233","","","0.046","0.0465","","","","","","1.075","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074901","30.007","0.004","15.3558","0.0011","26.908","0.006","90","","123.706","0.006","90","","10314","3","113.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C57 H51 B3 O4.5 P3 Pt1.5 -","- C57 H51 B3 O4.5 P3 Pt1.5 -","- C456 H408 B24 O36 P24 Pt12 -","8","1","","Pantcheva, Ivayla; Osakada, Kohtaro","Synthesis and Reactivity of a Platinum(II) Complex with a Chelating Dehydro(arylboronic anhydride) Ligand. Transmetalation of Arylboronic Acid","Organometallics","2006","25","7","1735","","10.1021/om0509903","","","0.7107","MoKα","","","0.0287","","","","0.0373","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074902","16.0265","0.0017","21.295","0.002","22.041","0.002","90","","90","","90","","7522.2","1.3","113.1","","","","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C42 H38 B2 O5 P2 Pt -","- C42 H38 B2 O5 P2 Pt -","- C336 H304 B16 O40 P16 Pt8 -","8","2","","Pantcheva, Ivayla; Osakada, Kohtaro","Synthesis and Reactivity of a Platinum(II) Complex with a Chelating Dehydro(arylboronic anhydride) Ligand. Transmetalation of Arylboronic Acid","Organometallics","2006","25","7","1735","","10.1021/om0509903","","","0.7107","MoKα","","","0.03","","","","0.0892","","","","","","0.837","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074903","14.9162","0.0016","18.975","0.002","22.898","0.003","90","","93.4409","0.0015","90","","6469.2","1.3","113.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C64 H56 F12 O9 P4 Pt2 -","- C64 H56 F12 O9 P4 Pt2 -","- C256 H224 F48 O36 P16 Pt8 -","4","1","","Pantcheva, Ivayla; Osakada, Kohtaro","Synthesis and Reactivity of a Platinum(II) Complex with a Chelating Dehydro(arylboronic anhydride) Ligand. Transmetalation of Arylboronic Acid","Organometallics","2006","25","7","1735","","10.1021/om0509903","","","0.7107","MoKα","","","0.04","","","","0.0457","","","","","","0.915","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074904","10.3823","0.0019","11.367","0.002","14.227","0.003","92.374","0.002","93.196","0.003","98.853","0.004","1654.3","0.5","113.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 O2 P2 Pt -","- C40 H38 O2 P2 Pt -","- C80 H76 O4 P4 Pt2 -","2","1","","Pantcheva, Ivayla; Osakada, Kohtaro","Synthesis and Reactivity of a Platinum(II) Complex with a Chelating Dehydro(arylboronic anhydride) Ligand. Transmetalation of Arylboronic Acid","Organometallics","2006","25","7","1735","","10.1021/om0509903","","","0.7107","MoKα","","","0.0419","","","","0.065","","","","","","0.999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074905","8.1069","0.0006","10.563","0.0008","14.6777","0.0011","90","","90","","90","","1256.9","0.16","213","2","213","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H24 B P -","- C10 H24 B P -","- C40 H96 B4 P4 -","4","1","","Blank, Natalia F.; McBroom, Katherine C.; Glueck, David S.; Kassel, W. Scott; Rheingold, Arnold L.","Chirality Breeding via Asymmetric Phosphination. Palladium-Catalyzed Diastereoselective Synthesis of a P-Stereogenic Phosphine","Organometallics","2006","25","7","1742","","10.1021/om050993f","","","0.71073","MoKα","","0.047","0.044","","","0.1064","0.1085","","","","","","1.105","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074906","11.6646","0.0002","18.3088","0.0002","28.9532","0.0007","74.582","0.005","82.573","0.006","77.117","0.006","5794.7","0.3","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C93 H177 Cl6 N4 O2 Si12 Zr2 -","- C93 H177 Cl6 N4 O2 Si12 Zr2 -","- C186 H354 Cl12 N8 O4 Si24 Zr4 -","2","1","","Hamaki, Hirofumi; Takeda, Nobuhiro; Tokitoh, Norihiro","Reduction of Tetravalent Group 4 Metal Complexes Supported by an Extremely Bulky, Unsymmetrically Substituted β-Diketiminato Ligand Leading to the Regioselective CN Bond Cleavage Giving Ring-Contracted Metal-Imido Complexes","Organometallics","2006","25","10","2457","","10.1021/om0509948","","","0.7107","MoKα","","0.0827","0.0607","","","0.1158","0.1246","","","","","","1.12","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074907","11.6597","0.0001","18.3005","0.0002","28.9162","0.0003","74.6796","0.0008","82.5888","0.0004","77.1249","0.0005","5785.06","0.1","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C93 H177 Cl6 Hf2 N4 O2 Si12 -","- C93 H177 Cl6 Hf2 N4 O2 Si12 -","- C186 H354 Cl12 Hf4 N8 O4 Si24 -","2","1","","Hamaki, Hirofumi; Takeda, Nobuhiro; Tokitoh, Norihiro","Reduction of Tetravalent Group 4 Metal Complexes Supported by an Extremely Bulky, Unsymmetrically Substituted β-Diketiminato Ligand Leading to the Regioselective CN Bond Cleavage Giving Ring-Contracted Metal-Imido Complexes","Organometallics","2006","25","10","2457","","10.1021/om0509948","","","0.71069","MoKα","","0.0242","0.0204","","","0.0464","0.0477","","","","","","1.069","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074908","12.724","0.005","12.781","0.006","19.884","0.008","85.729","0.015","72.206","0.012","87.54","0.015","3070","2","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C47 H93 Cl2 Li N4 Si6 Ti -","- C47 H93 Cl2 Li N4 Si6 Ti -","- C94 H186 Cl4 Li2 N8 Si12 Ti2 -","2","1","","Hamaki, Hirofumi; Takeda, Nobuhiro; Tokitoh, Norihiro","Reduction of Tetravalent Group 4 Metal Complexes Supported by an Extremely Bulky, Unsymmetrically Substituted β-Diketiminato Ligand Leading to the Regioselective CN Bond Cleavage Giving Ring-Contracted Metal-Imido Complexes","Organometallics","2006","25","10","2457","","10.1021/om0509948","","","0.7107","MoKα","","0.1091","0.0848","","","0.1558","0.1671","","","","","","1.181","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074909","12.718","0.003","15.788","0.004","19.011","0.005","99.7567","0.0019","108.197","0.0017","102.239","0.002","3427.8","1.5","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H107 Cl2 Li N4 Si6 Zr -","- C53 H107 Cl2 Li N4 Si6 Zr -","- C106 H214 Cl4 Li2 N8 Si12 Zr2 -","2","1","","Hamaki, Hirofumi; Takeda, Nobuhiro; Tokitoh, Norihiro","Reduction of Tetravalent Group 4 Metal Complexes Supported by an Extremely Bulky, Unsymmetrically Substituted β-Diketiminato Ligand Leading to the Regioselective CN Bond Cleavage Giving Ring-Contracted Metal-Imido Complexes","Organometallics","2006","25","10","2457","","10.1021/om0509948","","","0.7107","MoKα","","0.0369","0.033","","","0.0774","0.0795","","","","","","1.062","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074910","12.6966","0.0017","15.754","0.002","19.249","0.003","72.09","0.005","69.348","0.004","77.721","0.006","3404.7","0.8","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C53 H107 Cl2 Hf Li N4 Si6 -","- C53 H107 Cl2 Hf Li N4 Si6 -","- C106 H214 Cl4 Hf2 Li2 N8 Si12 -","2","1","","Hamaki, Hirofumi; Takeda, Nobuhiro; Tokitoh, Norihiro","Reduction of Tetravalent Group 4 Metal Complexes Supported by an Extremely Bulky, Unsymmetrically Substituted β-Diketiminato Ligand Leading to the Regioselective CN Bond Cleavage Giving Ring-Contracted Metal-Imido Complexes","Organometallics","2006","25","10","2457","","10.1021/om0509948","","","0.7107","MoKα","","0.0249","0.0225","","","0.0487","0.0498","","","","","","1.062","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074911","9.5578","0.0018","12.345","0.002","25.424","0.006","87.842","0.01","82.127","0.012","71.02","0.02","2809.9","1","103","2","103","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H85 Cl Hf N2 O Si6 -","- C45 H85 Cl Hf N2 O Si6 -","- C90 H170 Cl2 Hf2 N4 O2 Si12 -","2","1","","Hamaki, Hirofumi; Takeda, Nobuhiro; Tokitoh, Norihiro","Reduction of Tetravalent Group 4 Metal Complexes Supported by an Extremely Bulky, Unsymmetrically Substituted β-Diketiminato Ligand Leading to the Regioselective CN Bond Cleavage Giving Ring-Contracted Metal-Imido Complexes","Organometallics","2006","25","10","2457","","10.1021/om0509948","","","0.71069","MoKα","","0.1357","0.0786","","","0.1337","0.1596","","","","","","1.097","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074912","47.617","0.003","9.5808","0.0005","23.4963","0.0016","90","","101.676","0.003","90","","10497.4","1.1","103","2","103","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H77 Cl2 N2 Si6 Ti -","- C41 H77 Cl2 N2 Si6 Ti -","- C328 H616 Cl16 N16 Si48 Ti8 -","8","1","","Hamaki, Hirofumi; Takeda, Nobuhiro; Tokitoh, Norihiro","Reduction of Tetravalent Group 4 Metal Complexes Supported by an Extremely Bulky, Unsymmetrically Substituted β-Diketiminato Ligand Leading to the Regioselective CN Bond Cleavage Giving Ring-Contracted Metal-Imido Complexes","Organometallics","2006","25","10","2457","","10.1021/om0509948","","","0.7107","MoKα","","0.0833","0.0688","","","0.1583","0.1669","","","","","","1.104","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074913","13.8273","0.0015","14.2373","0.0011","14.796","0.001","61.759","0.005","85.629","0.009","86.579","0.009","2557.7","0.4","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C78 H136 Cl4 N8 Nd4 O4 Si8 -","- C78 H104 Cl4 N8 Nd4 O4 Si8 -","- C78 H104 Cl4 N8 Nd4 O4 Si8 -","1","0.5","","Zhao, Bei; Li, Honghai; Shen, Qi; Zhang, Yong; Yao, Yingming; Lu, Chengrong","Metallomacrocycle Complexes of Lanthanides with Bridged Amide Ligands: Syntheses and Molecular Structures of [{μ2-p-(Me3SiN)2C6H4}YbCl(THF)2]2and [{μ2-p-(Me3SiN)2C6H4}Nd(μ2-Cl)(THF)]42PhMe","Organometallics","2006","25","7","1824","","10.1021/om0509995","","","0.7107","MoKα","","0.0638","0.0492","","","0.0995","0.1079","","","","","","1.129","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074914","25.127","0.003","12.0839","0.0013","17.4643","0.0019","90","","93.481","0.003","90","","5292.9","1","193","2","193","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C40 H76 Cl2 N4 O4 Si4 Yb2 -","- C40 H76 Cl2 N4 O4 Si4 Yb2 -","- C160 H304 Cl8 N16 O16 Si16 Yb8 -","4","0.5","","Zhao, Bei; Li, Honghai; Shen, Qi; Zhang, Yong; Yao, Yingming; Lu, Chengrong","Metallomacrocycle Complexes of Lanthanides with Bridged Amide Ligands: Syntheses and Molecular Structures of [{μ2-p-(Me3SiN)2C6H4}YbCl(THF)2]2and [{μ2-p-(Me3SiN)2C6H4}Nd(μ2-Cl)(THF)]42PhMe","Organometallics","2006","25","7","1824","","10.1021/om0509995","","","0.7107","MoKα","","0.0648","0.0561","","","0.1299","0.135","","","","","","1.232","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4074915","13.722","0.004","21.866","0.006","16.436","0.005","90","0.0013","101.82","0.0015","90","0.0013","4827","2","173","2","173","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","Nickel-Complex","","","- C43 H49 Cl2 Ni P S6 Si2 -","- C43 H49 Cl2 Ni P S6 Si2 -","- C172 H196 Cl8 Ni4 P4 S24 Si8 -","4","1","","Kudoh, Kenichi; Okamoto, Toshihiro; Yamaguchi, Shigehiro","Reactions of Fused Polycyclic 1,2-Dithiins with Transition Metals: Synthesis of Heteroacenes via Desulfurization","Organometallics","2006","25","9","2374","","10.1021/om051000g","","","0.7107","MoKα","","0.066","0.0535","","","0.1203","0.1275","","","","","","1.124","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074916","10.886","0.004","12.357","0.005","19.233","0.007","90.384","0.003","96.225","0.005","106.675","0.007","2461.8","1.6","173","2","173","2","","","","","","","","8","P -1","-P 1","2","Paladium-Complex","","","- C45 H52 Cl2 N P Pd S6 Si2 -","- C45 H52 Cl2 N P Pd S6 Si2 -","- C90 H104 Cl4 N2 P2 Pd2 S12 Si4 -","2","1","","Kudoh, Kenichi; Okamoto, Toshihiro; Yamaguchi, Shigehiro","Reactions of Fused Polycyclic 1,2-Dithiins with Transition Metals: Synthesis of Heteroacenes via Desulfurization","Organometallics","2006","25","9","2374","","10.1021/om051000g","","","0.7107","MoKα","","0.074","0.0549","","","0.1498","0.1619","","","","","","1.022","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074917","8.9989","0.0005","11.6066","0.0009","15.7313","0.001","90","","98.804","0.007","90","","1623.72","0.19","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C34 H58 Cd -","- C34 H58 Cd -","- C68 H116 Cd2 -","2","0.5","","Bentz, Dirk; Wolmershäuser, Gotthelf; Sitzmann, Helmut","Bis(alkylcyclopentadienyl)cadmium Complexes and Alkylcyclopentadienyl(mesityl)cadmium: Synthesis and Structure","Organometallics","2006","25","13","3175","","10.1021/om0510021","","","0.71073","MoKα","","0.0528","0.0284","","","0.0636","0.0678","","","","","","0.884","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074918","14.0793","0.0006","11.4229","0.0005","14.1805","0.0006","90","","109.372","0.001","90","","2151.48","0.16","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H25 Cl F6 Ir N4 P -","- C17 H25 Cl F6 Ir N4 P -","- C68 H100 Cl4 F24 Ir4 N16 P4 -","4","1","","Viciano, Mónica; Poyatos, Macarena; Sanaú, Mercedes; Peris, Eduardo; Rossin, Andrea; Ujaque, Gregori; Lledós, Agustí","C‒H Oxidative Addition of Bisimidazolium Salts to Iridium and Rhodium Complexes, and N-Heterocyclic Carbene Generation. A Combined Experimental and Theoretical Study","Organometallics","2006","25","5","1120","1134","10.1021/om051004l","","","0.71073","MoKα","","0.0572","0.0337","","","0.0816","0.0933","","","","","","1.016","","","","has coordinates","209842","2020-10-21","18:00:00",""
"4074919","8.7176","0.0013","11.766","0.0018","17.981","0.003","76.296","0.003","80.23","0.004","70.657","0.003","1682.3","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H37 F6 Ir N4 P -","- C25 H37 F6 Ir N4 P -","- C50 H74 F12 Ir2 N8 P2 -","2","1","","Viciano, Mónica; Poyatos, Macarena; Sanaú, Mercedes; Peris, Eduardo; Rossin, Andrea; Ujaque, Gregori; Lledós, Agustí","C‒H Oxidative Addition of Bisimidazolium Salts to Iridium and Rhodium Complexes, and N-Heterocyclic Carbene Generation. A Combined Experimental and Theoretical Study","Organometallics","2006","25","5","1120","1134","10.1021/om051004l","","","0.71073","MoKα","","0.1728","0.0759","","","0.1861","0.23","","","","","","0.952","","","","has coordinates","209842","2020-10-21","18:00:00",""
"4074920","12.0534","0.0009","14.2223","0.001","13.8876","0.001","90","","90.104","0.002","90","","2380.7","0.3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H30 F6 Ir N4 P -","- C20 H30 F6 Ir N4 P -","- C80 H120 F24 Ir4 N16 P4 -","4","2","","Viciano, Mónica; Poyatos, Macarena; Sanaú, Mercedes; Peris, Eduardo; Rossin, Andrea; Ujaque, Gregori; Lledós, Agustí","C‒H Oxidative Addition of Bisimidazolium Salts to Iridium and Rhodium Complexes, and N-Heterocyclic Carbene Generation. A Combined Experimental and Theoretical Study","Organometallics","2006","25","5","1120","1134","10.1021/om051004l","","","0.71073","MoKα","","0.0689","0.0384","","","0.0772","0.0871","","","","","","0.987","","","","has coordinates","209842","2020-10-21","18:00:00",""
"4074921","13.4804","0.0008","18.1685","0.0011","16.8361","0.0011","90","","107.891","0.001","90","","3924.1","0.4","273","2","273","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C22 H34 Cl3 F6 Ir2 N8 O0.5 P -","- C22 H34 Cl3 F6 Ir2 N8 O0.5 P -","- C88 H136 Cl12 F24 Ir8 N32 O2 P4 -","4","1","","Viciano, Mónica; Poyatos, Macarena; Sanaú, Mercedes; Peris, Eduardo; Rossin, Andrea; Ujaque, Gregori; Lledós, Agustí","C‒H Oxidative Addition of Bisimidazolium Salts to Iridium and Rhodium Complexes, and N-Heterocyclic Carbene Generation. A Combined Experimental and Theoretical Study","Organometallics","2006","25","5","1120","1134","10.1021/om051004l","","","0.71073","MoKα","","0.1963","0.0704","","","0.168","0.2166","","","","","","0.997","","","","has coordinates","209842","2020-10-21","18:00:00",""
"4074922","12.581","0.0009","19.0944","0.0014","19.3076","0.0014","66.238","0.002","74.952","0.001","76.86","0.002","4059.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H40 Cl4 N5 O2.5 Ru -","- C40.99 H25 Cl4 N5 O2.5 Ru -","- C163.96 H100 Cl16 N20 O10 Ru4 -","4","2","","Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming","Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands","Organometallics","2006","25","7","1676","","10.1021/om051009i","","","0.71073","MoKα","","0.114","0.056","","","0.0983","0.1137","","","","","","0.758","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074923","14.154","0.003","20.696","0.004","16.472","0.003","90","","107.22","0.03","90","","4608.9","1.7","301","2","301","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H34 Br4 N4 O3 Ru -","- C37 H32 Br4 N4 O3 Ru -","- C148 H128 Br16 N16 O12 Ru4 -","4","2","","Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming","Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands","Organometallics","2006","25","7","1676","","10.1021/om051009i","","","0.71073","MoKα","","0.0973","0.0701","","","0.2025","0.2209","","","","","","1.004","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074924","10.867","0.002","24.938","0.005","17.882","0.004","90","","91.81","0.03","90","","4843.6","1.7","301","2","301","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C56 H48 Br2 N2 O2 P2 Ru -","- C56 H48 Br2 N2 O2 P2 Ru -","- C224 H192 Br8 N8 O8 P8 Ru4 -","4","2","","Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming","Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands","Organometallics","2006","25","7","1676","","10.1021/om051009i","","","0.71073","MoKα","","0.0571","0.0344","","","0.078","0.0991","","","","","","0.918","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074925","8.447","0.0017","16.42","0.003","27.958","0.006","90","","93.96","0.03","90","","3868.5","1.3","293","2","293","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C27.5 H29 Br2 Cl5 N4 O3 Ru -","- C27.5 H29 Br2 Cl5 N4 O3 Ru -","- C110 H116 Br8 Cl20 N16 O12 Ru4 -","4","2","","Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming","Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands","Organometallics","2006","25","7","1676","","10.1021/om051009i","","","0.71073","MoKα","","0.089","0.068","","","0.1889","0.2023","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074926","16.799","0.007","14.783","0.006","17.33","0.007","90","","102.725","0.009","90","","4198","3","294","2","294","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C76 H66 Cl6 I8 N8 O4 Ru2 -","- C76 H65 Cl6 I8 N8 O4 Ru2 -","- C152 H130 Cl12 I16 N16 O8 Ru4 -","2","1","","Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming","Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands","Organometallics","2006","25","7","1676","","10.1021/om051009i","","","0.71073","MoKα","","0.1242","0.0555","","","0.1229","0.1579","","","","","","0.964","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074927","12.508","0.002","17.364","0.003","20.387","0.004","106.689","0.004","99.487","0.004","91.45","0.004","4170.9","1.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C78.5 H73.5 Br8 N8 O8.5 Ru2 -","- C78.5 H72 Br8 N8 O8.5 Ru2 -","- C157 H144 Br16 N16 O17 Ru4 -","2","1","","Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming","Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands","Organometallics","2006","25","7","1676","","10.1021/om051009i","","","0.71073","MoKα","","0.326","0.0979","","","0.2122","0.2906","","","","","","1.13","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074928","37.444","0.008","13.021","0.003","19.997","0.004","90","","121.11","0.03","90","","8347","4","253","2","253","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C42 H41 Br4 N3 O3 Ru -","- C42 H41 Br4 N3 O3 Ru -","- C336 H328 Br32 N24 O24 Ru8 -","8","1","","Li, Gong-Yong; Zhang, Jing; Chan, Philip Wai Hong; Xu, Zhen-Jiang; Zhu, Nianyong; Che, Chi-Ming","Enantioselective Intramolecular Cyclopropanation ofcis-Alkenes by Chiral Ruthenium(II) Schiff Base Catalysts and Crystal Structures of (Schiff base)ruthenium Complexes Containing Carbene, PPh3, and CO Ligands","Organometallics","2006","25","7","1676","","10.1021/om051009i","","","0.71073","MoKα","","0.0589","0.0304","","","0.0657","0.0701","","","","","","0.689","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074929","9.3886","0.0005","10.5077","0.0001","12.4065","0.0006","68.413","0.002","81.359","0.005","83.288","0.003","1122.64","0.08","223.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H30 S6 Si2 -","- C42 H30 S6 Si2 -","- C42 H30 S6 Si2 -","1","0.5","","Kim, Dong-Ha; Ohshita, Joji; Lee, Kwang-Hoi; Kunugi, Yoshihito; Kunai, Atsutaka","Synthesis of π-Conjugated Oligomers Containing Dithienosilole Units","Organometallics","2006","25","6","1511","1516","10.1021/om0510122","","","0.7107","MoKα","","","0.079","","","","0.157","","","","","","17.068","","","","has coordinates","209885","2020-10-21","18:00:00",""
"4074930","17.063","0.008","10.834","0.008","18.488","0.006","90","","108.76","0.04","90","","3236","3","250","2","250","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 Nb O P S2 Si2 -","- C30 H36 Nb O P S2 Si2 -","- C120 H144 Nb4 O4 P4 S8 Si8 -","4","1","","Antiñolo, Antonio; García-Yuste, Santiago; Otero, Antonio; Pérez-Flores, Juan C.; Reguillo-Carmona, Rebeca; Rodríguez, Ana M.; Villaseñor, Elena","Reactivity of a Phosphido-Niobocene Derivative toward CS2 and Alkyl Halides to Give Phosphinodithioformato- and Phosphino-Niobocene Complexes: X-ray Crystal Structures of [Nb(η5-C5H4SiMe3)2(κ1-S-SC(S)(PPh2))(CO)] and [Nb(η5-C5H4SiMe3)2(P(I)Ph2)(CO)]I3","Organometallics","2006","25","5","1310","1316","10.1021/om051013u","","","0.71073","MoKα","","0.3249","0.0863","","","0.1398","0.2046","","","","","","0.958","","","","has coordinates","209886","2020-10-21","18:00:00",""
"4074931","11.608","0.001","12.194","0.005","14.197","0.002","81.77","0.02","78.42","0.01","72.22","0.01","1867.4","0.8","230","2","230","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H36 I4 Nb O P Si2 -","- C29 H36 I4 Nb O P Si2 -","- C58 H72 I8 Nb2 O2 P2 Si4 -","2","1","","Antiñolo, Antonio; García-Yuste, Santiago; Otero, Antonio; Pérez-Flores, Juan C.; Reguillo-Carmona, Rebeca; Rodríguez, Ana M.; Villaseñor, Elena","Reactivity of a Phosphido-Niobocene Derivative toward CS2 and Alkyl Halides to Give Phosphinodithioformato- and Phosphino-Niobocene Complexes: X-ray Crystal Structures of [Nb(η5-C5H4SiMe3)2(κ1-S-SC(S)(PPh2))(CO)] and [Nb(η5-C5H4SiMe3)2(P(I)Ph2)(CO)]I3","Organometallics","2006","25","5","1310","1316","10.1021/om051013u","","","0.71073","MoKα","","0.0672","0.0548","","","0.1484","0.1576","","","","","","1.027","","","","has coordinates","209886","2020-10-21","18:00:00",""
"4074932","17.186","0.012","10.02","0.003","17.288","0.008","90","","113.78","0.04","90","","2724","3","293","2","293","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H30 I2 N4 O2 Pd2 -","- C22 H30 I2 N4 O2 Pd2 -","- C88 H120 I8 N16 O8 Pd8 -","4","1","","Solé, Daniel; Díaz, Sandra; Solans, Xavier; Font-Bardia, Mercè","A Comparative Study of the Chelating Ability of the −N(R)−(CH2)n−CO−N(R)2Framework in σ-Aryl Palladium(II) Complexes Derived from 2-Iodoanilines and 2-Iodobenzylamines. Synthesis of New Types of Terdentate [C,N,O] Pd(II) Complexes and C,N-Bridged Binuclear Pd(II) Compounds","Organometallics","2006","25","8","1995","","10.1021/om051014m","","","0.71073","MoKα","","0.0808","0.0581","","","0.1426","0.1556","","","","","","1.05","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074933","16.08","0.013","11.373","0.004","17.164","0.007","90","","91.09","0.05","90","","3138","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H38 I2 N4 O2 Pd2 -","- C26 H38 I2 N4 O2 Pd2 -","- C104 H152 I8 N16 O8 Pd8 -","4","1","","Solé, Daniel; Díaz, Sandra; Solans, Xavier; Font-Bardia, Mercè","A Comparative Study of the Chelating Ability of the −N(R)−(CH2)n−CO−N(R)2Framework in σ-Aryl Palladium(II) Complexes Derived from 2-Iodoanilines and 2-Iodobenzylamines. Synthesis of New Types of Terdentate [C,N,O] Pd(II) Complexes and C,N-Bridged Binuclear Pd(II) Compounds","Organometallics","2006","25","8","1995","","10.1021/om051014m","","","0.71073","MoKα","","0.0618","0.0361","","","0.094","0.1035","","","","","","1.059","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074934","12.637","0.006","13.777","0.005","25.508","0.008","76.8","0.03","76.8","0.03","64.27","0.03","3852","3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C78 H90 F6 N4 O11 P2 Pd2 S2 -","- C78 H90 F6 N4 O11 P2 Pd2 S2 -","- C156 H180 F12 N8 O22 P4 Pd4 S4 -","2","1","","Solé, Daniel; Díaz, Sandra; Solans, Xavier; Font-Bardia, Mercè","A Comparative Study of the Chelating Ability of the −N(R)−(CH2)n−CO−N(R)2Framework in σ-Aryl Palladium(II) Complexes Derived from 2-Iodoanilines and 2-Iodobenzylamines. Synthesis of New Types of Terdentate [C,N,O] Pd(II) Complexes and C,N-Bridged Binuclear Pd(II) Compounds","Organometallics","2006","25","8","1995","","10.1021/om051014m","","","0.71073","MoKα","","0.1031","0.0438","","","0.1003","0.1173","","","","","","0.893","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074935","9.418","0.004","12.549","0.004","15.614","0.005","90","","94.89","","90","","1838.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 I N2 O Pd -","- C18 H21 I N2 O Pd -","- C72 H84 I4 N8 O4 Pd4 -","4","1","","Solé, Daniel; Díaz, Sandra; Solans, Xavier; Font-Bardia, Mercè","A Comparative Study of the Chelating Ability of the −N(R)−(CH2)n−CO−N(R)2Framework in σ-Aryl Palladium(II) Complexes Derived from 2-Iodoanilines and 2-Iodobenzylamines. Synthesis of New Types of Terdentate [C,N,O] Pd(II) Complexes and C,N-Bridged Binuclear Pd(II) Compounds","Organometallics","2006","25","8","1995","","10.1021/om051014m","","","0.71073","MoKα","","0.0438","0.042","","","0.0919","0.0931","","","","","","1.305","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074936","20.531","0.007","13.027","0.004","23.378","0.008","90","","92.22","0.005","90","","6248","4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H37 K N2 -","- C36 H37 K N2 -","- C288 H296 K8 N16 -","8","2","","Downing, Stephen P.; Danopoulos, Andreas A.","Indenyl- and Fluorenyl-Functionalized N-Heterocyclic Carbene Complexes of Titanium and Vanadium","Organometallics","2006","25","6","1337","1340","10.1021/om051017z","","","0.6868","synchrotron","","0.122","0.0663","","","0.152","0.1773","","","","","","0.922","","","","has coordinates","209844","2020-10-21","18:00:00",""
"4074937","8.3495","0.0006","10.7139","0.0013","16.8282","0.0019","73.535","0.009","86.508","0.007","71.966","0.007","1372.1","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H37 Cl N3 Ti -","- C32 H37 Cl N3 Ti -","- C64 H74 Cl2 N6 Ti2 -","2","1","","Downing, Stephen P.; Danopoulos, Andreas A.","Indenyl- and Fluorenyl-Functionalized N-Heterocyclic Carbene Complexes of Titanium and Vanadium","Organometallics","2006","25","6","1337","1340","10.1021/om051017z","","","0.71073","MoKα","","0.0629","0.0484","","","0.1081","0.114","","","","","","1.088","","","","has coordinates","209844","2020-10-21","18:00:00",""
"4074938","8.208","0.004","9.877","0.006","17.305","0.01","100.63","0.08","97.83","0.04","105.38","0.05","1303.8","1.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H35 Br N3 V -","- C28 H35 Br N3 V -","- C56 H70 Br2 N6 V2 -","2","1","","Downing, Stephen P.; Danopoulos, Andreas A.","Indenyl- and Fluorenyl-Functionalized N-Heterocyclic Carbene Complexes of Titanium and Vanadium","Organometallics","2006","25","6","1337","1340","10.1021/om051017z","","","0.71073","MoKα","","0.0977","0.0534","","","0.0875","0.0988","","","","","","1.019","","","","has coordinates","209844","2020-10-21","18:00:00",""
"4074939","25.078","0.005","13.604","0.003","18.511","0.004","90","","110.12","0.03","90","","5930","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H58 F6 O8 P4 Pt2 S2 -","- C46 H58 F6 O8 P4 Pt2 S2 -","- C184 H232 F24 O32 P16 Pt8 S8 -","4","0.5","","Nilsson, Patrik; Puxty, Graeme; Wendt, Ola F.","Reaction Mechanism of Transmetalation between Tetraorganostannanes and Platinum(II) Aryltriflate Complexes. Mechanistic Model for Stille Couplings","Organometallics","2006","25","5","1285","1292","10.1021/om051021a","","","0.71073","MoKα","","0.167","0.0589","","","0.1155","0.1402","","","","","","0.995","","","","has coordinates","209913","2020-10-21","18:00:00",""
"4074940","6.8794","0.0006","9.2704","0.0008","9.0919","0.0008","90","","109.061","0.001","90","","548.04","0.08","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H14 Cl2 O Ti -","- C9 H14 Cl2 O Ti -","- C18 H28 Cl4 O2 Ti2 -","2","1","","Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique","New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV) Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether Substituent: Behavior and Influence in the Hydroamination of Alkynes of the Ether Group","Organometallics","2006","25","6","1448","1460","10.1021/om051031b","","","0.71073","MoKα","","0.0491","0.0362","","","0.0889","0.0958","","","","","","1.015","","","","has coordinates","209806","2020-10-21","18:00:00",""
"4074941","7.4633","0.0006","11.2428","0.0009","13.7705","0.0011","90","","103.666","0.002","90","","1122.75","0.16","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H17 Cl O Ti -","- C10 H17 Cl O Ti -","- C40 H68 Cl4 O4 Ti4 -","4","1","","Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique","New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV) Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether Substituent: Behavior and Influence in the Hydroamination of Alkynes of the Ether Group","Organometallics","2006","25","6","1448","1460","10.1021/om051031b","","","0.71073","MoKα","","0.0388","0.0266","","","0.0535","0.0558","","","","","","0.984","","","","has coordinates","209806","2020-10-21","18:00:00",""
"4074942","13.071","0.002","9.8025","0.0015","15.986","0.002","90","","93.739","0.003","90","","2043.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 O Ti -","- C26 H26 O Ti -","- C104 H104 O4 Ti4 -","4","1","","Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique","New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV) Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether Substituent: Behavior and Influence in the Hydroamination of Alkynes of the Ether Group","Organometallics","2006","25","6","1448","1460","10.1021/om051031b","","","0.71073","MoKα","","0.1635","0.0544","","","0.0765","0.0973","","","","","","0.762","","","","has coordinates","209806","2020-10-21","18:00:00",""
"4074943","20.191","0.004","10.3853","0.0017","11.541","0.002","90","","100.225","0.003","90","","2381.6","0.7","173","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H34 Cl2 O2 Ti -","- C23 H34 Cl2 O2 Ti -","- C92 H136 Cl8 O8 Ti4 -","4","1","","Esteruelas, Miguel A.; López, Ana M.; Mateo, A. Concepción; Oñate, Enrique","New Half-Sandwich Alkyl, Aryl, Aryloxide, and Propargyloxide Titanium(IV) Complexes Containing a Cyclopentadienyl Ligand with a Pendant Ether Substituent: Behavior and Influence in the Hydroamination of Alkynes of the Ether Group","Organometallics","2006","25","6","1448","1460","10.1021/om051031b","","","0.71073","MoKα","","0.0788","0.0451","","","0.0816","0.0892","","","","","","0.859","","","","has coordinates","209806","2020-10-21","18:00:00",""
"4074944","8.7861","0.0011","9.5628","0.0012","12.8261","0.0016","69.91","0.002","74.453","0.002","64.222","0.002","902.3","0.2","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C20 H21 Ga O Si -","- C20 H21 Ga O Si -","- C40 H42 Ga2 O2 Si2 -","2","1","","Taha, Ziyad A.; Deguns, Eric W.; Chattopadhyay, Swarup; Scott, Susannah L.","Formation of Digallium Sites in the Reaction of Trimethylgallium with Silica","Organometallics","2006","25","8","1891","","10.1021/om051034o","","","0.71073","MoKα","","0.054","0.0402","","","0.1098","0.1259","","","","","","1.058","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074945","19.699","0.002","10.4716","0.0012","12.4761","0.0015","90","","101.675","0.003","90","","2520.3","0.5","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H28 Cl2 N4 O4 Pd -","- C23 H28 Cl2 N4 O4 Pd -","- C92 H112 Cl8 N16 O16 Pd4 -","4","0.5","","Huynh, Han Vinh; Neo, Tiong Cheng; Tan, Geok Kheng","Mixed Dicarboxylato‒Bis(carbene) Complexes of Palladium(II): Synthesis, Structures, Trans‒Cis Isomerism, and Catalytic Activity","Organometallics","2006","25","5","1298","1302","10.1021/om0510369","","","0.71073","MoKα","","0.0673","0.0553","","","0.1254","0.1309","","","","","","1.098","","","","has coordinates","209810","2020-10-21","18:00:00",""
"4074946","17.7749","0.001","13.2977","0.0007","12.944","0.0007","90","","106.566","0.001","90","","2932.5","0.3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H26 F6 N4 O5 Pd -","- C25 H26 F6 N4 O5 Pd -","- C100 H104 F24 N16 O20 Pd4 -","4","0.5","","Huynh, Han Vinh; Neo, Tiong Cheng; Tan, Geok Kheng","Mixed Dicarboxylato‒Bis(carbene) Complexes of Palladium(II): Synthesis, Structures, Trans‒Cis Isomerism, and Catalytic Activity","Organometallics","2006","25","5","1298","1302","10.1021/om0510369","","","0.71073","MoKα","","0.0394","0.0361","","","0.0987","0.1015","","","","","","1.062","","","","has coordinates,has disorder","209810","2020-10-21","18:00:00",""
"4074947","12.144","0.0007","24.1984","0.0013","21.5159","0.0013","90","","97.893","0.002","90","","6262.9","0.6","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H24 F10 N4 O4 Pd -","- C27.5 H24 F10 N4 O4 Pd -","- C220 H192 F80 N32 O32 Pd8 -","8","2","","Huynh, Han Vinh; Neo, Tiong Cheng; Tan, Geok Kheng","Mixed Dicarboxylato‒Bis(carbene) Complexes of Palladium(II): Synthesis, Structures, Trans‒Cis Isomerism, and Catalytic Activity","Organometallics","2006","25","5","1298","1302","10.1021/om0510369","","","0.71073","MoKα","","0.0887","0.0631","","","0.1599","0.1739","","","","","","1.031","","","","has coordinates","209810","2020-10-21","18:00:00",""
"4074948","11.674","0.0001","11.879","0.0001","19.4041","0.0001","91.612","0.001","99.01","0.001","114.221","0.001","2410.93","0.04","84","2","84","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H48 O4 Os P2 S -","- C59 H48 O4 Os P2 S -","- C118 H96 O8 Os2 P4 S2 -","2","1","","Clark, George R.; Johns, Paul M.; Roper, Warren R.; Wright, L. James","An Osmabenzofuran from Reaction between Os(PhC⋮CPh)(CS)(PPh3)2and Methyl Propiolate and the C-Protonation of this Compound to Form a Tethered Osmabenzene","Organometallics","2006","25","7","1771","","10.1021/om0510371","","","0.71073","MoKα","","0.0285","0.0235","","","0.0503","0.0527","","","","","","1.069","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074949","21.4854","0.0001","19.5854","0.0003","13.1111","0.0002","90","","99.645","0.001","90","","5439.17","0.12","84","2","84","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C59 H47 Br O4 Os P2 S -","- C59 H47 Br O4 Os P2 S -","- C236 H188 Br4 O16 Os4 P8 S4 -","4","1","","Clark, George R.; Johns, Paul M.; Roper, Warren R.; Wright, L. James","An Osmabenzofuran from Reaction between Os(PhC⋮CPh)(CS)(PPh3)2and Methyl Propiolate and the C-Protonation of this Compound to Form a Tethered Osmabenzene","Organometallics","2006","25","7","1771","","10.1021/om0510371","","","0.71073","MoKα","","0.0601","0.0375","","","0.0752","0.0814","","","","","","1.021","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074950","12.7455","0.0001","14.9228","0.0002","17.4255","0.0002","82.513","0.001","75.312","0.001","64.78","","2899.46","0.06","84","2","84","2","","","","","","","","8","P -1","-P 1","2","","","","- C60 H50.88 Cl2.12 I3 O4 Os P2 S -","- C60 H50.876 Cl2.124 I3 O4 Os P2 S -","- C120 H101.752 Cl4.248 I6 O8 Os2 P4 S2 -","2","1","","Clark, George R.; Johns, Paul M.; Roper, Warren R.; Wright, L. James","An Osmabenzofuran from Reaction between Os(PhC⋮CPh)(CS)(PPh3)2and Methyl Propiolate and the C-Protonation of this Compound to Form a Tethered Osmabenzene","Organometallics","2006","25","7","1771","","10.1021/om0510371","","","0.71073","MoKα","","0.0558","0.0461","","","0.0922","0.0976","","","","","","1.156","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074951","6.3802","0.0006","5.9324","0.0004","21.8428","0.0017","90","","90","","90","","826.75","0.12","140","2","140","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C2 H5 Cl Zn -","- C2 H5 Cl Zn -","- C16 H40 Cl8 Zn8 -","8","1","","Guerrero, Antonio; Hughes, David L.; Bochmann, Manfred","Synthesis and Crystal Structure of Ethyl Zinc Chloride","Organometallics","2006","25","6","1525","1527","10.1021/om051043x","","","0.71073","Mo-Kα","","0.0233","0.0225","","","0.0548","0.055","","","","","","1.335","","","","has coordinates","209912","2020-10-21","18:00:00",""
"4074952","8.5587","0.0009","14.4403","0.0015","16.9278","0.0018","90","","90","","90","","2092.1","0.4","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C16 H27 Cl F6 N O P Ru -","- C16 H27 Cl F6 N O P Ru -","- C64 H108 Cl4 F24 N4 O4 P4 Ru4 -","4","1","","Hermatschweiler, René; Fernández, Ignacio; Pregosin, Paul S.; Breher, Frank","Catalytic Allylic Alkylation and Allylic Phenolation Reactions with Ruthenium Complexes. Solid-State Structures of a Model Catalytic DMF Intermediate, [Ru(Cp*)(Cl)(η3-C3H5)(DMF)](PF6), and a New Tetranuclear Salt, [Ru(Cp){Ru(Cp)(η6-p-CH3C6H4CN)}3](PF6)4","Organometallics","2006","25","6","1440","1447","10.1021/om051050l","","","0.71073","MoKα","","0.0888","0.074","","","0.1362","0.1415","","","","","","1.192","","","","has coordinates","209830","2020-10-21","18:00:00",""
"4074953","17.5476","0.0005","17.5476","0.0005","30.2034","0.0017","90","","90","","120","","8054.2","0.6","200","2","200","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C44 H41 F24 N3 P4 Ru4 -","- C44 H41 F24 N3 P4 Ru4 -","- C264 H246 F144 N18 P24 Ru24 -","6","0.333333","","Hermatschweiler, René; Fernández, Ignacio; Pregosin, Paul S.; Breher, Frank","Catalytic Allylic Alkylation and Allylic Phenolation Reactions with Ruthenium Complexes. Solid-State Structures of a Model Catalytic DMF Intermediate, [Ru(Cp*)(Cl)(η3-C3H5)(DMF)](PF6), and a New Tetranuclear Salt, [Ru(Cp){Ru(Cp)(η6-p-CH3C6H4CN)}3](PF6)4","Organometallics","2006","25","6","1440","1447","10.1021/om051050l","","","0.71073","MoKα","","0.0575","0.0458","","","0.0904","0.0939","","","","","","0.972","","","","has coordinates","209830","2020-10-21","18:00:00",""
"4074954","10.204","0.001","18.072","0.003","27","0.005","75.05","0.01","88.46","0.01","82.92","0.01","4773.7","1.3","293.1","","","","","","","","","","","9","P -1","-P 1","2","","","","- C48 H62 B Mo N O P Rh S2 -","- C48 H62 B Mo N O P Rh S2 -","- C192 H248 B4 Mo4 N4 O4 P4 Rh4 S8 -","4","2","","Arashiba, Kazuya; Matsukawa, Shoji; Kuwata, Shigeki; Tanabe, Yoshiaki; Iwasaki, Masakazu; Ishii, Youichi","Electrophilic O-Methylation of a Terminal Nitrosyl Ligand Attained by an Early−Late Heterobimetallic Effect","Organometallics","2006","25","3","560","","10.1021/om0510573","","","0.7107","MoKα","","","0.053","","","","0.054","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074955","17.008","0.002","18.843","0.002","17.127","0.002","90","","97.121","0.008","90","","5446.6","1.1","293.1","","","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C23 H39 N O P Rh S2 W -","- C23 H39 N O P Rh S2 W -","- C184 H312 N8 O8 P8 Rh8 S16 W8 -","8","2","","Arashiba, Kazuya; Matsukawa, Shoji; Kuwata, Shigeki; Tanabe, Yoshiaki; Iwasaki, Masakazu; Ishii, Youichi","Electrophilic O-Methylation of a Terminal Nitrosyl Ligand Attained by an Early−Late Heterobimetallic Effect","Organometallics","2006","25","3","560","","10.1021/om0510573","","","0.7107","MoKα","","","0.037","","","","0.038","","","","","","1.012","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074956","8.714","0.003","24.849","0.004","14.533","0.002","90","","91.52","0.02","90","","3145.8","1.3","293.1","","","","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C24 H42 F6 N O P2 Rh S2 W -","- C24 H42 F6 N O P2 Rh S2 W -","- C96 H168 F24 N4 O4 P8 Rh4 S8 W4 -","4","1","","Arashiba, Kazuya; Matsukawa, Shoji; Kuwata, Shigeki; Tanabe, Yoshiaki; Iwasaki, Masakazu; Ishii, Youichi","Electrophilic O-Methylation of a Terminal Nitrosyl Ligand Attained by an Early−Late Heterobimetallic Effect","Organometallics","2006","25","3","560","","10.1021/om0510573","","","0.7107","MoKα","","","0.03","","","","0.031","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074957","11.2311","0.0011","11.2311","0.0011","19.104","0.002","90","","90","","90","","2409.7","0.4","120","2","120","2","","","","","","","","4","P 43","P 4cw","78","","","","- C22 H24 B10 N4 -","- C22 H24 B10 N4 -","- C88 H96 B40 N16 -","4","1","","Prokhorov, Anton M.; Kozhevnikov, Dmitry N.; Rusinov, Vladimir L.; Chupakhin, Oleg N.; Glukhov, Ivan V.; Antipin, Mikhail Yu.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Carborane-Functionalized Polyaza Aromatic Ligands: Synthesis, Crystal Structure, and a Copper(II) Complex","Organometallics","2006","25","12","2972","","10.1021/om051058v","","","0.71073","MoKα","","0.0556","0.0487","","","0.0915","0.094","","","","","","0.988","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074958","10.885","0.003","17.343","0.006","14.54","0.005","90","","105.938","0.01","90","","2639.3","1.5","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H28 B9 N5 -","- C24 H28 B9 N5 -","- C96 H112 B36 N20 -","4","1","","Prokhorov, Anton M.; Kozhevnikov, Dmitry N.; Rusinov, Vladimir L.; Chupakhin, Oleg N.; Glukhov, Ivan V.; Antipin, Mikhail Yu.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Carborane-Functionalized Polyaza Aromatic Ligands: Synthesis, Crystal Structure, and a Copper(II) Complex","Organometallics","2006","25","12","2972","","10.1021/om051058v","","","0.71073","MoKα","","0.2113","0.0646","","","0.0765","0.0931","","","","","","0.911","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074959","10.5741","0.0018","15.12","0.002","14.707","0.002","90","","96.781","0.004","90","","2334.9","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-(5-phenyl-2,2'-bipyridine-6-yl)-2-phenyl-1,2-dicarba-nido-undecaborane","","- C24 H27 B9 N2 -","- C24 H27 B9 N2 -","- C96 H108 B36 N8 -","4","1","","Prokhorov, Anton M.; Kozhevnikov, Dmitry N.; Rusinov, Vladimir L.; Chupakhin, Oleg N.; Glukhov, Ivan V.; Antipin, Mikhail Yu.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Carborane-Functionalized Polyaza Aromatic Ligands: Synthesis, Crystal Structure, and a Copper(II) Complex","Organometallics","2006","25","12","2972","","10.1021/om051058v","","","0.71073","MoKα","","0.1972","0.0629","","","0.0768","0.0995","","","","","","0.841","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074960","7.341","0.002","12.045","0.002","14.775","0.003","84.33","0.02","76.13","0.02","79","0.02","1243.1","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 B20 Cl4 Cu2 N8 -","- C34 H44 B20 Cl4 Cu2 N8 -","- C34 H44 B20 Cl4 Cu2 N8 -","1","0.5","","Prokhorov, Anton M.; Kozhevnikov, Dmitry N.; Rusinov, Vladimir L.; Chupakhin, Oleg N.; Glukhov, Ivan V.; Antipin, Mikhail Yu.; Kazheva, Olga N.; Chekhlov, Anatolii N.; Dyachenko, Oleg A.","Carborane-Functionalized Polyaza Aromatic Ligands: Synthesis, Crystal Structure, and a Copper(II) Complex","Organometallics","2006","25","12","2972","","10.1021/om051058v","","","0.7107","MoKα","","0.0565","0.0349","","","0.0643","0.0704","","","","","","0.975","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074961","12.5439","0.0018","12.7227","0.0019","17.051","0.003","94.138","0.003","91.495","0.003","101.742","0.003","2655","0.7","293","2","293","2","","","","","","","","7","P 1","P 1","1","[RuCl2(PNNP)]","","","- C52 H32 Cl2 F24 N2 P2 Ru -","- C52 H32.5 Cl2 F24 N2 P2 Ru -","- C104 H65 Cl4 F48 N4 P4 Ru2 -","2","2","","Bonaccorsi, Cristina; Santoro, Francesco; Gischig, Sebastian; Mezzetti, Antonio","Chiral Dicationic Bis(aqua) Complexes [Ru(OH2)2(PNNP)]2+: The Effect of Double Chloride Abstraction on Asymmetric Cyclopropanation","Organometallics","2006","25","8","2002","","10.1021/om0510627","","x-ray","0.71073","MoKα","","0.0339","0.0308","","","0.0775","0.0799","","","","","","1.049","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074962","12.31","0.0015","22.511","0.002","47.384","0.006","90","","90","","90","","13131","3","200","2","200","2","","","","","","","","9","C 2 2 21","C 2c 2","20","[Ru(PNNP)(OH2)2](SbF6)2","","","- C52.5 H37 Cl F36 N2 O2 P2 Ru Sb2 -","- C52.929 H36 Cl1.858 F38.078 N2 O2 P2 Ru Sb2.37 -","- C423.432 H288 Cl14.864 F304.624 N16 O16 P16 Ru8 Sb18.96 -","8","1","","Bonaccorsi, Cristina; Santoro, Francesco; Gischig, Sebastian; Mezzetti, Antonio","Chiral Dicationic Bis(aqua) Complexes [Ru(OH2)2(PNNP)]2+: The Effect of Double Chloride Abstraction on Asymmetric Cyclopropanation","Organometallics","2006","25","8","2002","","10.1021/om0510627","","","0.71073","MoKα","","0.064","0.0543","","","0.1246","0.1312","","","","","","1.09","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4074963","12.136","0.002","16.912","0.003","14.873","0.003","90","","91.92","0.03","90","","3050.9","1","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H48 O2 Si2 Zr -","- C29 H48 O2 Si2 Zr -","- C116 H192 O8 Si8 Zr4 -","4","1","","Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe","Simple Functionalizations of Pentamethylcyclopentadienyl Ligands by Reactions of Decamethylzirconocene Complexes with Carbon Dioxide","Organometallics","2006","25","5","1317","1320","10.1021/om051063z","","","0.71073","MoKα","","0.0631","0.0395","","","0.0874","0.0954","","","","","","0.968","","","","has coordinates","209846","2020-10-21","18:00:00",""
"4074964","13.363","0.003","24.786","0.005","21.233","0.004","90","","93.21","0.03","90","","7022","3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H52 O4.25 Zr -","- C35 H48 O4.25 Zr -","- C280 H384 O34 Zr8 -","8","2","","Burlakov, Vladimir V.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Rosenthal, Uwe","Simple Functionalizations of Pentamethylcyclopentadienyl Ligands by Reactions of Decamethylzirconocene Complexes with Carbon Dioxide","Organometallics","2006","25","5","1317","1320","10.1021/om051063z","","","0.71073","MoKα","","0.0943","0.0593","","0.157","0.1419","","","","0.901","1.101","1.101","","","","","has coordinates,has disorder","209846","2020-10-21","18:00:00",""
"4074965","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.","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Iron(III) Tridentate Bis(imino)pyridine Complexes with Double Pattern of Substitution: ortho-Methyl plusmeta-Aryl†","Organometallics","2006","25","12","2978","","10.1021/om051069o","","","0.71073","MoKα","","0.0602","0.0365","","","0.0749","0.0836","","","","","","1.021","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074966","13.482","0.005","23.751","0.008","26.066","0.011","90","","90","","90","","8347","5","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C94 H70 Cl4 F8 Fe2 N6 -","- C94 H70 Cl4 F8 Fe2 N6 -","- C376 H280 Cl16 F32 Fe8 N24 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Iron(III) Tridentate Bis(imino)pyridine Complexes with Double Pattern of Substitution: ortho-Methyl plusmeta-Aryl†","Organometallics","2006","25","12","2978","","10.1021/om051069o","","","0.71073","MoKα","","0.231","0.0987","","","0.2204","0.3017","","","","","","0.941","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074967","16.77","0.002","15.807","0.002","27.35","0.004","90","","90","","90","","7250","1.6","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C39 H27 F12 N3 -","- C39 H27 F12 N3 -","- C312 H216 F96 N24 -","8","2","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Iron(III) Tridentate Bis(imino)pyridine Complexes with Double Pattern of Substitution: ortho-Methyl plusmeta-Aryl†","Organometallics","2006","25","12","2978","","10.1021/om051069o","","","0.71073","MoKα","","0.2511","0.0759","","","0.1527","0.2231","","","","","","0.969","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074968","11.5071","0.0004","12.4346","0.0005","31.4986","0.0013","90","","100.345","0.001","90","","4433.7","0.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C41 H31 Cl6 F12 Fe N3 -","- C41 H31 Cl6 F12 Fe N3 -","- C164 H124 Cl24 F48 Fe4 N12 -","4","0.5","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Iron(III) Tridentate Bis(imino)pyridine Complexes with Double Pattern of Substitution: ortho-Methyl plusmeta-Aryl†","Organometallics","2006","25","12","2978","","10.1021/om051069o","","","0.71073","MoKα","","0.0678","0.0506","","","0.1307","0.1419","","","","","","1.039","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074969","16","0.002","19.31","0.003","16.689","0.003","90","","90.168","0.003","90","","5156.2","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H39 Cl3 F12 Fe N3 -","- C39 H27 Cl3 F12 Fe N3 -","- C156 H108 Cl12 F48 Fe4 N12 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Iron(III) Tridentate Bis(imino)pyridine Complexes with Double Pattern of Substitution: ortho-Methyl plusmeta-Aryl†","Organometallics","2006","25","12","2978","","10.1021/om051069o","","","0.71073","MoKα","","0.1717","0.084","","","0.2231","0.261","","","","","","0.897","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074970","32.663","0.004","15.197","0.002","15.494","0.002","90","","96.197","0.002","90","","7646","1.7","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C39 H27 Cl2 F12 Fe N3 -","- C39 H27 Cl2 F12 Fe N3 -","- C312 H216 Cl16 F96 Fe8 N24 -","8","1","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Iron(III) Tridentate Bis(imino)pyridine Complexes with Double Pattern of Substitution: ortho-Methyl plusmeta-Aryl†","Organometallics","2006","25","12","2978","","10.1021/om051069o","","","0.71073","MoKα","","0.1443","0.0804","","","0.1961","0.2328","","","","","","0.944","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074971","20.024","0.011","21.142","0.012","29.448","0.018","90","","105.241","0.014","90","","12028","12","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C51 H37 Cl8 F18 Fe N3 -","- C51 H37 Cl8 F18 Fe N3 -","- C408 H296 Cl64 F144 Fe8 N24 -","8","2","","Ionkin, Alex S.; Marshall, William J.; Adelman, Douglas J.; Fones, Barbara Bobik; Fish, Brian M.; Schiffhauer, Matthew F.","High-Temperature Catalysts for the Production of α-Olefins Based on Iron(II) and Iron(III) Tridentate Bis(imino)pyridine Complexes with Double Pattern of Substitution: ortho-Methyl plusmeta-Aryl†","Organometallics","2006","25","12","2978","","10.1021/om051069o","","","0.71073","MoKα","","0.2177","0.1321","","","0.3085","0.3456","","","","","","1.417","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074972","7.9192","0.0007","13.0478","0.0011","15.4852","0.0014","87.704","0.003","76.436","0.003","86.539","0.003","1552","0.2","173","","173","","","","","","","","","7","P -1","-P 1","2","","","","- C28 H41 F5 Ir N O2 P2 -","- C28 H41 F5 Ir N O2 P2 -","- C56 H82 F10 Ir2 N2 O4 P4 -","2","1","","Sykes, Alison Cartwright; White, Peter; Brookhart, Maurice","Reactions of Anilines and Benzamides with a Fourteen-Electron Iridium(I) Bis(Phosphinite) Complex: N-H Oxidative Addition versus Lewis Base Coordination.","Organometallics","2006","25","7","1664","1675","10.1021/om051070n","","","0.71073","MolybdenumKα","","0.03","0.025","","0.026","","0.026","","","","","","1.22","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074973","7.8644","0.0012","18.856","0.003","21.332","0.003","90","","96.482","0.003","90","","3143.1","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C29 H41 F5 Ir N O3 P2 -","- C29 H41 F5 Ir N O3 P2 -","- C116 H164 F20 Ir4 N4 O12 P8 -","4","1","","Sykes, Alison Cartwright; White, Peter; Brookhart, Maurice","Reactions of Anilines and Benzamides with a Fourteen-Electron Iridium(I) Bis(Phosphinite) Complex: N-H Oxidative Addition versus Lewis Base Coordination.","Organometallics","2006","25","7","1664","1675","10.1021/om051070n","","","0.71073","MoKα","","0.0576","0.0356","","","0.073","0.0871","","","","","","1.046","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074974","11.5309","0.0012","20.4252","0.0019","15.0255","0.0015","90","","117.267","0.005","90","","3145.6","0.6","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C29 H41 F5 Ir N O3 P2 -","- C29 H41 F5 Ir N O3 P2 -","- C116 H164 F20 Ir4 N4 O12 P8 -","4","1","","Sykes, Alison Cartwright; White, Peter; Brookhart, Maurice","Reactions of Anilines and Benzamides with a Fourteen-Electron Iridium(I) Bis(Phosphinite) Complex: N-H Oxidative Addition versus Lewis Base Coordination.","Organometallics","2006","25","7","1664","1675","10.1021/om051070n","","","0.71073","MolybdenumKα","","0.031","0.025","","0.032","0.031","","","","","1.94","1.94","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4074975","13.2931","0.0013","17.1006","0.0015","17.8063","0.0018","90","","111.843","0.006","90","","3757.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H54 Ir O2 P3 -","- C40 H54 Ir O2 P3 -","- C160 H216 Ir4 O8 P12 -","4","1","","Sykes, Alison Cartwright; White, Peter; Brookhart, Maurice","Reactions of Anilines and Benzamides with a Fourteen-Electron Iridium(I) Bis(Phosphinite) Complex: N-H Oxidative Addition versus Lewis Base Coordination.","Organometallics","2006","25","7","1664","1675","10.1021/om051070n","","","0.71073","MoKα","","0.0588","0.0507","","","0.0868","0.0889","","","","","","1.323","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074976","15.454","0.0003","14.694","0.0003","23.737","0.0003","90","","90","","90","","5390.22","0.17","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C26 H32 Fe N O8 P -","- C26 H32 Fe N O8 P -","- C208 H256 Fe8 N8 O64 P8 -","8","1","","Kubo, Kazuyuki; Baba, Takayuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Trapping of Unsaturated Small Molecules through Cyclization with Iron−Iminophosphorane Complexes","Organometallics","2006","25","13","3238","","10.1021/om0510728","","","0.71069","MoKα","","0.0478","0.0441","","","0.1105","0.1124","","","","","","1.073","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074977","8.518","0.0002","15.784","0.0004","19.458","0.0004","90","","90","","90","","2616.09","0.11","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 F6 Fe N2 O3 P2 -","- C21 H30 F6 Fe N2 O3 P2 -","- C84 H120 F24 Fe4 N8 O12 P8 -","4","1","","Kubo, Kazuyuki; Baba, Takayuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Trapping of Unsaturated Small Molecules through Cyclization with Iron−Iminophosphorane Complexes","Organometallics","2006","25","13","3238","","10.1021/om0510728","","","0.71069","MoKα","","0.0738","0.058","","","0.1238","0.1411","","","","","","1.08","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074978","11.199","0.0002","17.443","0.0003","14.026","0.0002","90","","103.438","0.001","90","","2664.88","0.08","273","2","273","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C21 H30 F6 Fe N2 O3 P2 -","- C21 H30 F6 Fe N2 O3 P2 -","- C84 H120 F24 Fe4 N8 O12 P8 -","4","1","","Kubo, Kazuyuki; Baba, Takayuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Trapping of Unsaturated Small Molecules through Cyclization with Iron−Iminophosphorane Complexes","Organometallics","2006","25","13","3238","","10.1021/om0510728","","","0.71069","MoKα","","0.0471","0.0414","","","0.1036","0.1056","","","","","","1.029","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074979","15.7808","0.001","16.3514","0.0013","16.6649","0.0009","90","","90","","90","","4300.2","0.5","200","2","200","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","Hexa-(mu-Chloro)-bi-(mu3-Chloro)- mu-hapto5-Pentamethylcyclopentadienyl- tetrakis(hapto5-pentamethylcyclopentadienyl) hexamagnesat- bis(hapto5-pentamethylcyclopentadienyl)aluminocenium","","- C76 H111 Al Cl8 Mg6 -","- C76 H111 Al Cl8 Mg6 -","- C152 H222 Al2 Cl16 Mg12 -","2","0.5","","Vollet, Jean; Hartig, Jens R.; Baranowska, Katarzyna; Schnöckel, Hansgeorg","The Anion [Mg6Cl8Cp*5]-: A Final Intermediate on the Way to the Molecular Donor-Free Grignard Compound MgClCp*?","Organometallics","2006","25","8","2101","","10.1021/om051074s","","","0.71073","MoKα","","0.0875","0.0457","","","0.1156","0.1356","","","","","","0.897","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074980","16.799","0.0011","16.799","","6.7283","0.0004","90","","90","","90","","1898.77","0.17","295","","295","","","","","","","","synthesis as described","5","P -4 21 c","P -4 2n","114","10, [Pt2(L)(CO)2]","","","- C24 H12 N2 O2 Pt2 -","- C24 H12 N2 O2 Pt2 -","- C96 H48 N8 O8 Pt8 -","4","0.5","","Zucca, Antonio; Petretto, Giacomo Luigi; Stoccoro, Sergio; Cinellu, Maria Agostina; Minghetti, Giovanni; Manassero, Mario; Manassero, Carlo; Male, Louise; Albinati, Alberto","Dinuclear C,N,C Cyclometalated Platinum Derivatives with Bridging Delocalized Ligands. Fourfold Deprotonation of 6,6‘-Diphenyl-2,2‘-bipyridine, H4L, Promoted by “Pt(R)2” Fragments (R = Me, Ph). Crystal Structures of [Pt2(L)(3,5-Me2py)2] and {Pt2(L)(dppe)}2(dppe = 1,2-Bis(diphenylphosphino)ethane). X-ray Powder Diffraction of [Pt2(L)(CO)2]","Organometallics","2006","25","9","2253","","10.1021/om051075k","powder diffraction","","","Cu","","","","","","","","0.267","","5.33","","","","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074981","16.7554","0.0003","20.1829","0.0003","23.4641","0.0003","90","","98.688","0.001","90","","7843.9","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H110 Mg2 N4 Na2 O6 -","- C78 H110 Mg2 N4 Na2 O6 -","- C312 H440 Mg8 N16 Na8 O24 -","4","1","","Hevia, Eva; Henderson, Kenneth W.; Kennedy, Alan R.; Mulvey, Robert E.","Synthesis and Characterization of New Mixed-Metal Sodium−Magnesium Enolates Derived from 2,4,6-Trimethylacetophenone†","Organometallics","2006","25","7","1778","","10.1021/om051076c","","","0.71073","MoKα","","0.1289","0.0597","","","0.1235","0.1525","","","","","","1.005","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074982","16.817","0.0003","18.4174","0.0003","37.6423","0.0006","90","","90","","90","","11658.8","0.3","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C56 H84 Mg N4 Na2 O4 -","- C56 H84 Mg N4 Na2 O4 -","- C448 H672 Mg8 N32 Na16 O32 -","8","1","","Hevia, Eva; Henderson, Kenneth W.; Kennedy, Alan R.; Mulvey, Robert E.","Synthesis and Characterization of New Mixed-Metal Sodium−Magnesium Enolates Derived from 2,4,6-Trimethylacetophenone†","Organometallics","2006","25","7","1778","","10.1021/om051076c","","","0.71073","MoKα","","0.1598","0.0668","","","0.1188","0.1488","","","","","","1.011","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074983","13.7845","0.0003","21.4772","0.0006","22.3609","0.0004","90","","92.42","0.001","90","","6614.1","0.3","123","2","123","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C64 H102 Mg2 N4 Na2 O4 -","- C64 H102 Mg2 N4 Na2 O4 -","- C256 H408 Mg8 N16 Na8 O16 -","4","1","","Hevia, Eva; Henderson, Kenneth W.; Kennedy, Alan R.; Mulvey, Robert E.","Synthesis and Characterization of New Mixed-Metal Sodium−Magnesium Enolates Derived from 2,4,6-Trimethylacetophenone†","Organometallics","2006","25","7","1778","","10.1021/om051076c","","","0.71073","MoKα","","0.1589","0.1238","","","0.3381","0.3601","","","","","","1.08","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074984","12.4277","0.0009","17.2432","0.0012","8.6138","0.0003","90","","90","","90","","1845.9","0.2","123","2","123","2","","","","","","","","5","P n n 2","P 2 -2n","34","","","","- C34 H58 N4 Na2 O2 -","- C34 H58 N4 Na2 O2 -","- C68 H116 N8 Na4 O4 -","2","0.5","","Hevia, Eva; Henderson, Kenneth W.; Kennedy, Alan R.; Mulvey, Robert E.","Synthesis and Characterization of New Mixed-Metal Sodium−Magnesium Enolates Derived from 2,4,6-Trimethylacetophenone†","Organometallics","2006","25","7","1778","","10.1021/om051076c","","","0.71073","MoKα","","0.0787","0.0568","","","0.1398","0.1547","","","","","","1.051","","","","has coordinates,has disorder","178638","2020-10-21","18:00:00",""
"4074985","15.4","0.0015","11.3999","0.0011","15.4278","0.0015","90","","110.881","0.002","90","","2530.6","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H40 Cl2 O P2 Pd2 -","- C18 H40 Cl2 O P2 Pd2 -","- C72 H160 Cl8 O4 P8 Pd8 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71073","MoKα","","0.0303","0.0248","","","0.0642","0.0678","","","","","","1.043","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4074986","20.4653","0.0019","12.1974","0.0011","22.708","0.002","90","","112.026","0.002","90","","5254.7","0.8","293","2","293","2","","","","","","","","8","P 1 2/c 1","-P 2yc","13","","","","- C62 H44 Cl4 F6 Ir N2 O P -","- C62 H44 Cl4 F6 Ir N2 O P -","- C248 H176 Cl16 F24 Ir4 N8 O4 P4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71069","MoKα","","0.0505","0.034","","","0.0812","0.0903","","","","","","1.041","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4074987","20.579","0.003","12.2266","0.0019","22.819","0.004","90","","113.766","0.003","90","","5254.6","1.5","293","2","293","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C66 H50 F6 Ir N2 O3 P -","- C66 H40 F6 Ir N2 O3 P -","- C264 H160 F24 Ir4 N8 O12 P4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71069","MoKα","","0.0666","0.0394","","","0.0901","0.1039","","","","","","1.027","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4074988","17.85","0.003","15.742","0.003","7.7547","0.0015","90","","95.164","0.005","90","","2170.2","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H15 F6 N -","- C29 H15 F6 N -","- C116 H60 F24 N4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71073","MoKα","","0.379","0.1118","","","0.2152","0.3185","","","","","","0.93","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4074989","11.2969","0.0012","11.3209","0.0011","25.322","0.003","87.237","0.002","87.976","0.002","80.299","0.002","3187.2","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C80 H73 F12 Ir N2 O2 -","- C69 H47 F12 Ir N2 O2 -","- C138 H94 F24 Ir2 N4 O4 -","2","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71073","MoKα","","0.1209","0.0624","","","0.1431","0.1705","","","","","","0.852","","","","has coordinates,has disorder","209813","2020-10-21","18:00:00",""
"4074990","7.4452","0.001","10.9266","0.0015","12.0699","0.0016","90","","90","","90","","981.9","0.2","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C12 H10 Cl N -","- C12 H10 Cl N -","- C48 H40 Cl4 N4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71073","MoKα","","0.0609","0.0418","","","0.1059","0.1149","","","","","","1.043","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4074991","16.865","0.01","8.172","0.005","14.598","0.009","90","","103.052","0.012","90","","1960","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H27 P -","- C24 H27 P -","- C96 H108 P4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71073","MoKα","","0.1299","0.0631","","","0.1379","0.1522","","","","","","0.806","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4074992","12.327","0.003","12.964","0.003","16.075","0.002","90","","108.464","0.013","90","","2436.7","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Br P Pd -","- C24 H26 Br P Pd -","- C96 H104 Br4 P4 Pd4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71073","MoKα","","0.0925","0.0502","","","0.1075","0.1202","","","","","","0.88","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4074993","9.345","0.004","7.429","0.003","27.666","0.011","90","","107.31","0.015","90","","1833.7","1.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 N -","- C28 H19 N -","- C112 H76 N4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71073","MoKα","","0.1666","0.0685","","","0.1478","0.1943","","","","","","0.956","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4074994","25.909","0.003","25.909","0.003","18.352","0.004","90","","90","","90","","12319","3","293","2","293","2","","","","","","","","5","P 4/n c c :2","-P 4a 2ac","130","","","","- C67 H55 Ir N2 O2 -","- C67 H55 Ir N2 O2 -","- C536 H440 Ir8 N16 O16 -","8","0.5","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Synthesis and Structural Characterization of a Series of Novel Polyaromatic Ligands Containing Pyrene and Related Biscyclometalated Iridium(III) Complexes","Organometallics","2006","25","6","1461","1471","10.1021/om0510775","","","0.71073","MoKα","","0.0964","0.0396","","","0.0858","0.0998","","","","","","1.081","","","","has coordinates","209813","2020-10-21","18:00:00",""
"4074995","9.652","0.0001","18.6355","0.0003","15.0383","0.0003","90","","104.649","0.001","90","","2617.01","0.07","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 B N3 O2 -","- C30 H28 B N3 O2 -","- C120 H112 B4 N12 O8 -","4","1","","Pešková, Markéta; Šimůnek, Petr; Bertolasi, Valerio; Macháček, Vladimír; Lyčka, Antonín","Novel 5-(4-Substituted-phenyldiazenyl)-1,3,2λ4-oxazaborines and Their Rearrangement to 1,2,4,3λ4-Triazaborines","Organometallics","2006","25","8","2025","","10.1021/om051078x","","","0.71073","MoKα","","0.101","0.0766","","","0.2046","0.2307","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074996","7.5283","0.0002","10.7694","0.0004","14.2237","0.0005","91.562","0.002","101.592","0.001","97.572","0.002","1118.1","0.06","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 B N3 O2 -","- C25 H26 B N3 O2 -","- C50 H52 B2 N6 O4 -","2","1","","Pešková, Markéta; Šimůnek, Petr; Bertolasi, Valerio; Macháček, Vladimír; Lyčka, Antonín","Novel 5-(4-Substituted-phenyldiazenyl)-1,3,2λ4-oxazaborines and Their Rearrangement to 1,2,4,3λ4-Triazaborines","Organometallics","2006","25","8","2025","","10.1021/om051078x","","","0.71073","MoKα","","0.1288","0.0539","","","0.1183","0.1481","","","","","","0.993","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074997","12.9055","0.0003","11.8869","0.0003","19.0398","0.0004","90","","97.205","0.002","90","","2897.76","0.12","295","","295","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 B N3 O4 -","- C32 H32 B N3 O4 -","- C128 H128 B4 N12 O16 -","4","1","","Pešková, Markéta; Šimůnek, Petr; Bertolasi, Valerio; Macháček, Vladimír; Lyčka, Antonín","Novel 5-(4-Substituted-phenyldiazenyl)-1,3,2λ4-oxazaborines and Their Rearrangement to 1,2,4,3λ4-Triazaborines","Organometallics","2006","25","8","2025","","10.1021/om051078x","","","0.71073","MoKα","","0.0947","0.0562","","","0.1297","0.155","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4074998","10.7896","0.0002","13.955","0.0003","22.3431","0.0006","90","","90.618","0.001","90","","3363.98","0.13","295","","295","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H39 B N4 O -","- C38 H31 B N4 O -","- C152 H124 B4 N16 O4 -","4","1","","Pešková, Markéta; Šimůnek, Petr; Bertolasi, Valerio; Macháček, Vladimír; Lyčka, Antonín","Novel 5-(4-Substituted-phenyldiazenyl)-1,3,2λ4-oxazaborines and Their Rearrangement to 1,2,4,3λ4-Triazaborines","Organometallics","2006","25","8","2025","","10.1021/om051078x","","","0.71073","MoKα","","0.1576","0.0626","","","0.1444","0.1888","","","","","","1","","","","has coordinates","178638","2020-10-21","18:00:00",""
"4074999","7.4735","0.0001","10.7525","0.0003","14.2404","0.0004","90.686","0.001","103.567","0.001","95.318","0.002","1106.95","0.05","295","","295","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 B N3 O -","- C25 H26 B N3 O -","- C50 H52 B2 N6 O2 -","2","1","","Pešková, Markéta; Šimůnek, Petr; Bertolasi, Valerio; Macháček, Vladimír; Lyčka, Antonín","Novel 5-(4-Substituted-phenyldiazenyl)-1,3,2λ4-oxazaborines and Their Rearrangement to 1,2,4,3λ4-Triazaborines","Organometallics","2006","25","8","2025","","10.1021/om051078x","","","0.71073","MoKα","","0.0717","0.0498","","","0.1294","0.1452","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075000","10.2803","0.0004","12.4823","0.0005","17.2317","0.0008","90","","96.39","0.002","90","","2197.47","0.16","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 B N3 O2 -","- C24 H24 B N3 O2 -","- C96 H96 B4 N12 O8 -","4","2","","Pešková, Markéta; Šimůnek, Petr; Bertolasi, Valerio; Macháček, Vladimír; Lyčka, Antonín","Novel 5-(4-Substituted-phenyldiazenyl)-1,3,2λ4-oxazaborines and Their Rearrangement to 1,2,4,3λ4-Triazaborines","Organometallics","2006","25","8","2025","","10.1021/om051078x","","","0.71073","MoKα","","0.0746","0.0481","","","0.1104","0.125","","","","","","1.022","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075001","14.718","0.0004","11.526","0.0004","13.066","0.0005","90","","90","","90","","2216.51","0.13","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","Compound2a","(2-trimethylsilylphenyl)diphenylmethylphosphonium iodide","","- C22 H26 I P Si -","- C22 H26 I P Si -","- C88 H104 I4 P4 Si4 -","4","1","","Kawachi, Atsushi; Yoshioka, Takahiro; Yamamoto, Yohsuke","Anionic 1,4-Silyl Migration in (2-(Trimethylsilyl)phenyl)phosphonium Methylides","Organometallics","2006","25","9","2390","","10.1021/om051080o","","","0.71069","MoKα","","0.0317","0.0286","","","0.0749","0.0841","","","","","","1.141","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075002","9.257","0.0002","12.642","0.0003","7.138","0.0002","90","","109.035","0.001","90","","789.66","0.03","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","Compound2b","(2-trimethylsilylphenyl)trimethylphosphonium iodide","","- C12 H22 I P Si -","- C12 H22 I P Si -","- C24 H44 I2 P2 Si2 -","2","1","","Kawachi, Atsushi; Yoshioka, Takahiro; Yamamoto, Yohsuke","Anionic 1,4-Silyl Migration in (2-(Trimethylsilyl)phenyl)phosphonium Methylides","Organometallics","2006","25","9","2390","","10.1021/om051080o","","","0.71069","MoKα","","0.0206","0.0189","","","0.0603","0.0705","","","","","","1.289","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075003","10.027","0.002","10.868","0.002","19.014","0.004","90","","90","","90","","2072","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H18 Mo N2 O6 -","- C22 H18 Mo N2 O6 -","- C88 H72 Mo4 N8 O24 -","4","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Lucía; Miguel, Daniel","Reactivity of Molybdenum and Rhenium Hydroxo Complexes toward Organic Electrophiles: Reactions that Afford Carboxylato Products§","Organometallics","2006","25","7","1717","","10.1021/om051081g","","","0.71073","MoKα","","0.0201","0.0189","","","0.0478","0.0485","","","","","","1.055","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075004","6.2719","0.0013","9.939","0.002","16.062","0.003","98.9","0.03","96.82","0.03","99.61","0.03","964.5","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 N2 O7 Re -","- C19 H15 N2 O7 Re -","- C38 H30 N4 O14 Re2 -","2","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Lucía; Miguel, Daniel","Reactivity of Molybdenum and Rhenium Hydroxo Complexes toward Organic Electrophiles: Reactions that Afford Carboxylato Products§","Organometallics","2006","25","7","1717","","10.1021/om051081g","","","1.54184","CuKα","","0.0388","0.0379","","","0.1004","0.1015","","","","","","1.078","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075005","14.416","0.003","17.067","0.003","9.793","0.002","90","","90","","90","","2409.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C25 H23 N2 O5 Re -","- C25 H23 N2 O5 Re -","- C100 H92 N8 O20 Re4 -","4","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Lucía; Miguel, Daniel","Reactivity of Molybdenum and Rhenium Hydroxo Complexes toward Organic Electrophiles: Reactions that Afford Carboxylato Products§","Organometallics","2006","25","7","1717","","10.1021/om051081g","","","1.54184","CuKα","","0.0556","0.0517","","","0.1302","0.1364","","","","","","1.03","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075006","10.38","0.002","10.971","0.002","11.236","0.002","93.73","0.03","95.36","0.03","105.83","0.03","1220.1","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H19 N2 O5 Re -","- C29 H19 N2 O5 Re -","- C58 H38 N4 O10 Re2 -","2","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Lucía; Miguel, Daniel","Reactivity of Molybdenum and Rhenium Hydroxo Complexes toward Organic Electrophiles: Reactions that Afford Carboxylato Products§","Organometallics","2006","25","7","1717","","10.1021/om051081g","","","1.54184","CuKα","","0.0369","0.0338","","","0.0849","0.0873","","","","","","1.042","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075007","12.6148","0.0015","10.8812","0.0013","32.845","0.004","90","","96.889","0.002","90","","4475.9","0.9","299","2","299","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H21 N2 O8 Re -","- C21 H21 N2 O8 Re -","- C168 H168 N16 O64 Re8 -","8","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Lucía; Miguel, Daniel","Reactivity of Molybdenum and Rhenium Hydroxo Complexes toward Organic Electrophiles: Reactions that Afford Carboxylato Products§","Organometallics","2006","25","7","1717","","10.1021/om051081g","","","0.71073","MoKα","","0.073","0.0694","","","0.1664","0.176","","","","","","1.418","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075008","10.6162","0.001","13.29","0.002","22.23","0.002","90","","110.857","0.002","90","","2930.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 Cl2 Mo N2 O4 -","- C29 H28 Cl2 Mo N2 O4 -","- C116 H112 Cl8 Mo4 N8 O16 -","4","1","","Cuesta, Luciano; Hevia, Eva; Morales, Dolores; Pérez, Julio; Riera, Lucía; Miguel, Daniel","Reactivity of Molybdenum and Rhenium Hydroxo Complexes toward Organic Electrophiles: Reactions that Afford Carboxylato Products§","Organometallics","2006","25","7","1717","","10.1021/om051081g","","","1.54184","CuKα","","0.1689","0.0999","","","0.2283","0.2688","","","","","","1.185","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075009","16.542","0.0011","8.048","0.0005","16.59","0.0009","90","","119.13","0.003","90","","1929.3","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 As2 Mo2 O4 P2 Si4 -","- C28 H46 As2 Mo2 O4 P2 Si4 -","- C56 H92 As4 Mo4 O8 P4 Si8 -","2","0.5","","Weber, Lothar; Bayer, Philipp; Braun, Thomas; Stammler, Hans-Georg; Neumann, Beate","Arsaalkenes R−AsC(NMe2)2[R = PhC(O), 4-EtC6H4C(O), 2,4,6-Me3C6H2C(O),tBuC(O), Me3Si]: Versatile Reagents in the Chemistry of Heterocumulenes","Organometallics","2006","25","7","1786","","10.1021/om051084t","","","0.71073","MoKα","","0.0851","0.0478","","","0.0943","0.11","","","","","","1.023","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075010","10.29","0.0001","13.589","0.0002","14.174","0.0002","96.876","0.0008","111.081","0.0008","104.975","0.0009","1736.08","0.04","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H41 As2 O4 P Si2 W -","- C32 H41 As2 O4 P Si2 W -","- C64 H82 As4 O8 P2 Si4 W2 -","2","1","","Weber, Lothar; Bayer, Philipp; Braun, Thomas; Stammler, Hans-Georg; Neumann, Beate","Arsaalkenes R−AsC(NMe2)2[R = PhC(O), 4-EtC6H4C(O), 2,4,6-Me3C6H2C(O),tBuC(O), Me3Si]: Versatile Reagents in the Chemistry of Heterocumulenes","Organometallics","2006","25","7","1786","","10.1021/om051084t","","","0.71073","MoKα","","0.0229","0.0208","","","0.0499","0.0508","","","","","","1.03","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075011","15.898","0.0002","21.891","0.0003","12.377","0.0002","90","","96.393","0.0008","90","","4280.7","0.11","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 As2.62 Mo O4 P0.38 -","- C17 H23 As2.6165 Mo O4 P0.3835 -","- C136 H184 As20.932 Mo8 O32 P3.068 -","8","2","","Weber, Lothar; Bayer, Philipp; Braun, Thomas; Stammler, Hans-Georg; Neumann, Beate","Arsaalkenes R−AsC(NMe2)2[R = PhC(O), 4-EtC6H4C(O), 2,4,6-Me3C6H2C(O),tBuC(O), Me3Si]: Versatile Reagents in the Chemistry of Heterocumulenes","Organometallics","2006","25","7","1786","","10.1021/om051084t","","","0.71073","MoKα","","0.0304","0.0227","","","0.0492","0.0516","","","","","","1.023","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075012","12.01","0.0001","14.675","0.0002","15.432","0.0003","105.767","0.0007","91.915","0.001","95.043","0.0009","2602.71","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H33 As2.19 O5 P0.81 W -","- C21 H33 As2.19 O5 P0.81 W -","- C84 H132 As8.76 O20 P3.24 W4 -","4","2","","Weber, Lothar; Bayer, Philipp; Braun, Thomas; Stammler, Hans-Georg; Neumann, Beate","Arsaalkenes R−AsC(NMe2)2[R = PhC(O), 4-EtC6H4C(O), 2,4,6-Me3C6H2C(O),tBuC(O), Me3Si]: Versatile Reagents in the Chemistry of Heterocumulenes","Organometallics","2006","25","7","1786","","10.1021/om051084t","","","0.71073","MoKα","","0.0423","0.0308","","","0.0715","0.0758","","","","","","1.017","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075013","10.646","0.0012","11.998","0.0012","15.51","0.0011","76.572","0.008","84.597","0.006","71.855","0.009","1830.6","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H48 Mo2 O4 P2 Si4 -","- C28 H48 Mo2 O4 P2 Si4 -","- C56 H96 Mo4 O8 P4 Si8 -","2","1","","Weber, Lothar; Bayer, Philipp; Braun, Thomas; Stammler, Hans-Georg; Neumann, Beate","Arsaalkenes R−AsC(NMe2)2[R = PhC(O), 4-EtC6H4C(O), 2,4,6-Me3C6H2C(O),tBuC(O), Me3Si]: Versatile Reagents in the Chemistry of Heterocumulenes","Organometallics","2006","25","7","1786","","10.1021/om051084t","","","0.71073","MoKα","","0.0305","0.0206","","","0.0401","0.0428","","","","","","1.072","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075014","11.1096","0.0004","12.2344","0.0004","17.8694","0.0006","86.356","0.001","75.321","0.001","63.958","0.001","2107.8","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C45 H44 B F15 N2 Ti -","- C45 H44 B F15 N2 Ti -","- C90 H88 B2 F30 N4 Ti2 -","2","1","","Tabernero, Vanessa; Maestre, M. Carmen; Jiménez, Gerardo; Cuenca, Tomás; Ramírez de Arellano, Carmen","Cationic Cyclopentadienyl Phenylenediamido Titanium Species Generated by Reaction of TiCpR[1,2-C6H4(NCH2t-Bu)2]R (CpR= η5-C5H5, η5-C5Me5; R = CH3, CH2Ph) with B(C6F5)3. X-ray Molecular Structure of Ti(η5-C5Me5)[1,2-C6H4(NCH2t-Bu)2][μ-MeB(C6F5)3]†","Organometallics","2006","25","7","1723","","10.1021/om051088y","","","0.71073","MoKα","","0.0394","0.0363","","","0.097","0.0996","","","","","","1.04","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075015","21.2846","0.0003","18.2625","0.0003","19.04","0.0003","90","","98.374","0.001","90","","7322.1","0.2","223","1","223","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","Compound 2c.3Me2CO","","","- C77 H68 Cd Cl2 F10 O3 P2 Pt -","- C77 H68 Cd Cl2 F10 O3 P2 Pt -","- C308 H272 Cd4 Cl8 F40 O12 P8 Pt4 -","4","0.5","","Fernández, Julio; Forniés, Juan; Gil, Belén; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Synthesis, Structures, and Luminescence Behavior of Mixed Metal Alkynyl Platinum−Cadmium Complexes§","Organometallics","2006","25","9","2274","","10.1021/om051094u","","","0.71073","MoKα","","0.0561","0.0389","","","0.0827","0.09","","","","","","1.048","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075016","19.7425","0.0001","24.6941","0.0001","38.1453","0.0002","90","","90","","90","","18596.7","0.16","173","1","173","1","","","","","","","","7","P b c a","-P 2ac 2ab","61","Compound 3a","","","- C80 H108 Cd F20 N2 O Pt2 -","- C80 H108 Cd F20 N2 O Pt2 -","- C640 H864 Cd8 F160 N16 O8 Pt16 -","8","1","","Fernández, Julio; Forniés, Juan; Gil, Belén; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Synthesis, Structures, and Luminescence Behavior of Mixed Metal Alkynyl Platinum−Cadmium Complexes§","Organometallics","2006","25","9","2274","","10.1021/om051094u","","","0.71073","MoKα","","0.0908","0.0588","","","0.1612","0.1936","","","","","","1.069","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075017","31.825","0.0003","17.073","0.0002","19.204","0.0002","90","","126.604","0.001","90","","8376.53","0.19","173","1","173","1","","","","","","","","6","C 1 c 1","C -2yc","9","complex 3b","","","- C88 H92 Cd F20 N2 Pt2 -","- C88 H92 Cd F20 N2 Pt2 -","- C352 H368 Cd4 F80 N8 Pt8 -","4","1","","Fernández, Julio; Forniés, Juan; Gil, Belén; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Synthesis, Structures, and Luminescence Behavior of Mixed Metal Alkynyl Platinum−Cadmium Complexes§","Organometallics","2006","25","9","2274","","10.1021/om051094u","","","0.71073","MoKα","","0.0744","0.0589","","","0.1367","0.1437","","","","","","1.162","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075018","13.42","0.005","18.214","0.012","31.5","0.02","90","","90","","90","","7700","8","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Si2 Sn2 -","- C30 H54 N4 P2 Si2 Sn2 -","- C240 H432 N32 P16 Si16 Sn16 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0847","0.0749","","","0.1807","0.1896","","","","","","1.124","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075019","13.634","0.003","18.426","0.004","32.261","0.007","90","","90","","90","","8105","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Si2 Sn2 -","- C30 H54 N4 P2 Si2 Sn2 -","- C240 H432 N32 P16 Si16 Sn16 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0626","0.0552","","","0.1395","0.1451","","","","","","1.204","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075020","13.4117","0.0005","18.2367","0.0007","31.5142","0.0012","90","","90","","90","","7707.9","0.5","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Si2 Sn2 -","- C30 H54 N4 P2 Si2 Sn2 -","- C240 H432 N32 P16 Si16 Sn16 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0711","0.0375","","","0.0844","0.1028","","","","","","1.012","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075021","12.2138","0.0009","12.7921","0.001","13.2064","0.001","80.997","0.002","85.355","0.002","63.923","0.001","1830.3","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H54 Ge2 N4 P2 Si2 -","- C30 H54 Ge2 N4 P2 Si2 -","- C60 H108 Ge4 N8 P4 Si4 -","2","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.067","0.037","","","0.0753","0.0825","","","","","","0.898","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075022","13.4402","0.0007","18.2669","0.001","31.5543","0.0018","90","","90","","90","","7746.9","0.7","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Pb Si2 Sn -","- C30 H54 N4 P2 Pb Si2 Sn -","- C240 H432 N32 P16 Pb8 Si16 Sn8 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0672","0.0404","","","0.1022","0.1116","","","","","","0.963","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075023","13.582","0.003","18.654","0.004","32.019","0.006","90","","90","","90","","8112","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Pb Si2 Sn -","- C30 H54 N4 P2 Pb Si2 Sn -","- C240 H432 N32 P16 Pb8 Si16 Sn8 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.1055","0.0902","","","0.2619","0.2755","","","","","","1.146","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075024","14.9927","0.0006","17.5143","0.0007","12.1551","0.0005","90","","111.156","0.001","90","","2976.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H46 N3 P Pb Si3 -","- C21 H46 N3 P Pb Si3 -","- C84 H184 N12 P4 Pb4 Si12 -","4","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0507","0.0418","","","0.1299","0.1363","","","","","","0.903","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075025","13.448","0.003","18.352","0.004","31.591","0.007","90","","90","","90","","7797","3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C30 H54 N4 P2 Pb2 Si2 -","- C30 H54 N4 P2 Pb2 Si2 -","- C240 H432 N32 P16 Pb16 Si16 -","8","1","","Leung, Wing-Por; Wong, Kam-Wing; Wang, Zhong-Xia; Mak, Thomas C. W.","Synthesis and Structures of Novel Low-Valent Group 14 1,3-Dimetallacyclobutanes","Organometallics","2006","25","8","2037","","10.1021/om051096e","","","0.71073","MoKα","","0.0743","0.0324","","","0.059","0.0673","","","","","","0.876","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075026","8.318","0.0002","12.52","0.0004","15.494","0.0005","104.964","0.0015","104.772","0.0015","93.251","0.0014","1494.3","0.08","130","2","130","2","","","","","","","","7","P -1","-P 1","2","SMK003","SMK003","","- C24 H45 F6 Ir N O P3 -","- C24 H45 F6 Ir N O P3 -","- C48 H90 F12 Ir2 N2 O2 P6 -","2","1","","Kloek, Susan M.; Heinekey, D. Michael; Goldberg, Karen I.","Stereoselective Decarbonylation of Methanol to Form a Stable Iridium(III)trans-Dihydride Complex","Organometallics","2006","25","12","3007","","10.1021/om051098z","","","0.71073","MoKα","","0.085","0.0528","","","0.1009","0.1105","","","","","","0.982","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075027","12.5944","0.0012","12.1571","0.0009","17.0443","0.0014","90","","90","","90","","2609.7","0.4","73","2","73","2","","","","","","","synthesis as described","7","P b c a","-P 2ac 2ab","61","RhIPTN(Me)CO","","","- C8 H16 I N3 O P Rh -","- C8 H16 I N3 O P Rh -","- C64 H128 I8 N24 O8 P8 Rh8 -","8","1","","Phillips, Andrew D.; Bolaño, Sandra; Bosquain, Sylvain S.; Daran, Jean-Claude; Malacea, Raluca; Peruzzini, Maurizio; Poli, Rinaldo; Gonsalvi, Luca","A New Class of Rhodium(I) κ1-Pand κ2-P,NComplexes with Rigid PTN(R) Ligands (PTN = 7-Phospha-3-methyl-1,3,5-triazabicyclo[3.3.1]nonane)","Organometallics","2006","25","9","2189","","10.1021/om051099r","","","0.71073","MoKα","","0.0452","0.0344","","","0.0787","0.084","","","","","","1.082","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075028","8.8646","0.0006","9.0912","0.0006","10.8615","0.0007","114.431","0.001","104.518","0.001","99.751","0.001","733.55","0.08","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","catena-[mu2-(eta2/eta2-[2.2]paracyclophane)- tetrakis(mu2-trifluoroacetato-O,O')-dirhodium(II,II)]","","- C24 H16 F12 O8 Rh2 -","- C24 H16 F12 O8 Rh2 -","- C24 H16 F12 O8 Rh2 -","1","0.5","","Petrukhina, Marina A.; Filatov, Alexander S.; Sevryugina, Yulia; Andreini, Kristian W.; Takamizawa, Satoshi","Paracyclophanes as Versatileπ-Donor Ligands Directing Formation of Extended Organometallic Networks","Organometallics","2006","25","9","2135","","10.1021/om051100m","","","0.71073","MoKα","","0.0334","0.0326","","","0.0839","0.0848","","","","","","1.054","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075029","16.2821","0.001","12.3917","0.0008","27.172","0.0017","90","","90","","90","","5482.3","0.6","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","bis(eta1-[2.2.2]paracyclophane)- tetrakis(mu2-trifluoroacetato-O,O')-dirhodium(II,II)","","- C56 H48 F12 O8 Rh2 -","- C56 H48 F12 O8 Rh2 -","- C224 H192 F48 O32 Rh8 -","4","0.5","","Petrukhina, Marina A.; Filatov, Alexander S.; Sevryugina, Yulia; Andreini, Kristian W.; Takamizawa, Satoshi","Paracyclophanes as Versatileπ-Donor Ligands Directing Formation of Extended Organometallic Networks","Organometallics","2006","25","9","2135","","10.1021/om051100m","","","0.71073","MoKα","","0.0601","0.0503","","","0.1316","0.1413","","","","","","1.03","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075030","20.5186","0.0005","20.5186","0.0005","17.7415","0.0009","90","","90","","120","","6468.7","0.4","173","2","173","2","","","","","","","","5","R -3 m :H","-R 3 2""","166","","bis[mu3-(eta2/eta2/eta2-[2.2.2]paracyclophane)]- tris[tetra(mu2-trifluoroacetato-O,O')-dirhodium(II,II)]","","- C72 H48 F36 O24 Rh6 -","- C72 H48 F36 O24 Rh6 -","- C216 H144 F108 O72 Rh18 -","3","0.0833333","","Petrukhina, Marina A.; Filatov, Alexander S.; Sevryugina, Yulia; Andreini, Kristian W.; Takamizawa, Satoshi","Paracyclophanes as Versatileπ-Donor Ligands Directing Formation of Extended Organometallic Networks","Organometallics","2006","25","9","2135","","10.1021/om051100m","","","0.71073","MoKα","","0.05","0.0442","","","0.1109","0.1162","","","","","","1.038","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075031","9.7452","0.0006","22.7415","0.0014","14.665","0.0009","90","","100.49","0.001","90","","3195.7","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","catena[mu2-(eta2/eta2-[2.2.2]paracyclophane)- bis(mu2-trifluoroacetato-O,O')-tetra(carbonyl)-diruthenium(I,I)]","","- C32 H24 F6 O8 Ru2 -","- C32 H24 F6 O8 Ru2 -","- C128 H96 F24 O32 Ru8 -","4","1","","Petrukhina, Marina A.; Filatov, Alexander S.; Sevryugina, Yulia; Andreini, Kristian W.; Takamizawa, Satoshi","Paracyclophanes as Versatileπ-Donor Ligands Directing Formation of Extended Organometallic Networks","Organometallics","2006","25","9","2135","","10.1021/om051100m","","","0.71073","MoKα","","0.0449","0.0358","","","0.0876","0.0922","","","","","","1.027","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075032","12.3383","0.0008","13.5161","0.0009","23.3083","0.0015","90","","90","","90","","3887","0.4","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 N2 Ni P2 Si2 -","- C42 H48 N2 Ni P2 Si2 -","- C168 H192 N8 Ni4 P8 Si8 -","4","1","","Stapleton, Russell L.; Chai, Jianfang; Taylor, Nicholas J.; Collins, Scott","Ethylene Polymerization Using Discrete Nickel(II) Iminophosphonamide Complexes","Organometallics","2006","25","10","2514","","10.1021/om051103z","","","0.71073","MoKα","","0.0353","0.0311","","","0.0539","0.0546","","","","","","1.301","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075033","8.7003","0.0003","10.5517","0.0004","14.7301","0.0006","106.076","0.001","102.483","0.001","98.836","0.001","1235.39","0.08","180","1","180","1","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 N2 Ni P -","- C29 H29 N2 Ni P -","- C58 H58 N4 Ni2 P2 -","2","1","","Stapleton, Russell L.; Chai, Jianfang; Taylor, Nicholas J.; Collins, Scott","Ethylene Polymerization Using Discrete Nickel(II) Iminophosphonamide Complexes","Organometallics","2006","25","10","2514","","10.1021/om051103z","","","0.71073","MoKα","","0.0399","0.0369","","","0.0857","0.0862","","","","","","2.621","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075034","14.6477","0.0007","9.5088","0.0004","18.5319","0.0009","90","","110.413","0.001","90","","2419.07","0.19","180","1","180","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H33 N2 Ni P Si2 -","- C21 H33 N2 Ni P Si2 -","- C84 H132 N8 Ni4 P4 Si8 -","4","1","","Stapleton, Russell L.; Chai, Jianfang; Taylor, Nicholas J.; Collins, Scott","Ethylene Polymerization Using Discrete Nickel(II) Iminophosphonamide Complexes","Organometallics","2006","25","10","2514","","10.1021/om051103z","","","0.71073","MoKα","","0.0581","0.0488","","","0.0871","0.0888","","","","","","1.821","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075035","7.961","0.002","5.989","0.0018","8.112","0.002","90","","114.284","0.007","90","","352.55","0.16","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H8 B N -","- C8 H8 B N -","- C16 H16 B2 N2 -","2","0.5","","Fang, Xiangdong; Yang, Hong; Kampf, Jeff W.; Banaszak Holl, Mark M.; Ashe, Arthur J.","Syntheses of Ring-Fused B−N Heteroaromatic Compounds","Organometallics","2006","25","2","513","","10.1021/om058048e","","","0.71073","MoKα","","0.0491","0.0405","","","0.1167","0.1247","","","","","","1.11","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075036","9.0694","0.0002","16.4421","0.0004","23.2581","0.0006","71.65","","81.103","0.001","85.317","0.001","3250.27","0.14","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H16 O11 Os3 Sn -","- C29 H16 O11 Os3 Sn -","- C116 H64 O44 Os12 Sn4 -","4","2","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","A New Tris(diphenylstannylene)triosmium Carbonyl Cluster Complex and Its Reactions with Pt(PBut3)2and Pt(PPh3)4","Organometallics","2006","25","8","2049","","10.1021/om060002d","","","0.71073","MoKα","","0.0489","0.0322","","","0.0769","0.0856","","","","","","1.007","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075037","24.8866","0.0011","16.45","0.0007","25.865","0.0011","90","","117.693","0.001","90","","9375.8","0.7","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C45 H30 O9 Os3 Sn3 -","- C45 H30 O9 Os3 Sn3 -","- C360 H240 O72 Os24 Sn24 -","8","2","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","A New Tris(diphenylstannylene)triosmium Carbonyl Cluster Complex and Its Reactions with Pt(PBut3)2and Pt(PPh3)4","Organometallics","2006","25","8","2049","","10.1021/om060002d","","","0.71073","MoKα","","0.0723","0.0408","","","0.0906","0.1042","","","","","","1.03","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075038","13.685","0.0006","13.7194","0.0006","19.627","0.0008","84.225","0.001","82.003","0.001","62.716","0.001","3240.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C61 H66 O9 Os3 P Pt Sn3 -","- C61 H66 O9 Os3 P Pt Sn3 -","- C122 H132 O18 Os6 P2 Pt2 Sn6 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","A New Tris(diphenylstannylene)triosmium Carbonyl Cluster Complex and Its Reactions with Pt(PBut3)2and Pt(PPh3)4","Organometallics","2006","25","8","2049","","10.1021/om060002d","","","0.71073","MoKα","","0.0614","0.0415","","","0.1047","0.117","","","","","","1.04","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075039","13.5555","0.0004","23.8225","0.0006","28.7065","0.0008","90","","102.275","0.001","90","","9058.1","0.4","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C89 H80 O11 Os3 P2 Pt Sn3 -","- C89 H80 O11 Os3 P2 Pt Sn3 -","- C356 H320 O44 Os12 P8 Pt4 Sn12 -","4","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","A New Tris(diphenylstannylene)triosmium Carbonyl Cluster Complex and Its Reactions with Pt(PBut3)2and Pt(PPh3)4","Organometallics","2006","25","8","2049","","10.1021/om060002d","","","0.71073","MoKα","","0.0885","0.0456","","","0.0898","0.1083","","","","","","1.021","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075040","9.76","0.003","10.927","0.004","13.709","0.005","87.922","0.006","82.14","0.007","85.031","0.007","1442.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 Fe4 O12 S4 -","- C19 H14 Fe4 O12 S4 -","- C38 H28 Fe8 O24 S8 -","2","1","","Song, Li-Cheng; Cheng, Jia; Yan, Jing; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Two Novel Bridgehead-C-Substituted Diiron Propanedithiolate Complexes as Active Site Models for Fe-Only Hydrogenases","Organometallics","2006","25","7","1544","","10.1021/om060004y","","","0.71073","MoKα","","0.1622","0.0621","","","0.1004","0.1294","","","","","","0.986","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075041","9.007","0.003","11.562","0.004","26.729","0.009","90","","97.35","0.006","90","","2760.7","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Fe4 O12 S3 -","- C20 H14 Fe4 O12 S3 -","- C80 H56 Fe16 O48 S12 -","4","1","","Song, Li-Cheng; Cheng, Jia; Yan, Jing; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Two Novel Bridgehead-C-Substituted Diiron Propanedithiolate Complexes as Active Site Models for Fe-Only Hydrogenases","Organometallics","2006","25","7","1544","","10.1021/om060004y","","","0.71073","MoKα","","0.0868","0.0461","","","0.0785","0.0883","","","","","","1.047","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075042","15.037","0.004","15.77","0.005","18.792","0.005","75.751","0.005","67.156","0.005","66.433","0.006","3742.3","1.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C62.5 H46.5 Cl0.5 Fe6 O18 P3 S3 -","- C62.25 H39 Cl0.5 Fe6 O18 P3 S3 -","- C124.5 H78 Cl Fe12 O36 P6 S6 -","2","1","","Song, Li-Cheng; Cheng, Jia; Yan, Jing; Wang, Hu-Ting; Liu, Xu-Feng; Hu, Qing-Mei","Two Novel Bridgehead-C-Substituted Diiron Propanedithiolate Complexes as Active Site Models for Fe-Only Hydrogenases","Organometallics","2006","25","7","1544","","10.1021/om060004y","","","0.71073","MoKα","","0.1899","0.0749","","","0.1543","0.2055","","","","","","0.974","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075043","8.011","0.0016","12.127","0.002","12.268","0.003","102.62","0.03","100.65","0.03","95.03","0.03","1132.8","0.5","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H34 B F4 O2 P2 Rh -","- C19 H34 B F4 O2 P2 Rh -","- C38 H68 B2 F8 O4 P4 Rh2 -","2","1","","Salem, Hiyam; Ben-David, Yehoshoa; Shimon, Linda J. W.; Milstein, David","Exclusive C−C Activation and an Apparent α-H Elimination with a Rhodium Phosphinite Pincer Complex","Organometallics","2006","25","9","2292","","10.1021/om060005q","","","0.71073","MoKα","","0.0431","0.0403","","","0.1026","0.1055","","","","","","1.037","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075044","13.925","0.003","17.773","0.004","36.02","0.007","90","","94.03","0.03","90","","8893","3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C72 H124 N4 O8 P8 Rh4 -","- C72 H124 N4 O8 P8 Rh4 -","- C288 H496 N16 O32 P32 Rh16 -","4","1","","Salem, Hiyam; Ben-David, Yehoshoa; Shimon, Linda J. W.; Milstein, David","Exclusive C−C Activation and an Apparent α-H Elimination with a Rhodium Phosphinite Pincer Complex","Organometallics","2006","25","9","2292","","10.1021/om060005q","","","0.71073","MoKα","","0.0969","0.0792","","","0.1959","0.205","","","","","","1.044","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075045","8.106","0.0016","12.576","0.003","14.082","0.003","81.42","0.03","80.96","0.03","73.63","0.03","1351.9","0.6","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C25 H38 B F4 O2 P2 Rh -","- C25 H38 B F4 O2 P2 Rh -","- C50 H76 B2 F8 O4 P4 Rh2 -","2","1","","Salem, Hiyam; Ben-David, Yehoshoa; Shimon, Linda J. W.; Milstein, David","Exclusive C−C Activation and an Apparent α-H Elimination with a Rhodium Phosphinite Pincer Complex","Organometallics","2006","25","9","2292","","10.1021/om060005q","","","0.71073","MoKα","","0.0428","0.0379","","","0.0971","0.1004","","","","","","1.017","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075046","13.295","0.002","20.45","0.003","7.3573","0.0012","90","","121.332","0.003","90","","1708.6","0.5","153","2","153","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H18 N2 S2 -","- C20 H18 N2 S2 -","- C80 H72 N8 S8 -","4","1","","Huynh, Han Vinh; Meier, Nicole; Pape, Tania; Hahn, F. Ekkehardt","Benzothiazolin-2-ylidene Complexes of Iridium(I)","Organometallics","2006","25","12","3012","","10.1021/om060006i","","","0.71073","MoKα","","0.054","0.0468","","","0.1022","0.1054","","","","","","1.024","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075047","20.455","0.006","11.712","0.003","14.63","0.004","90","","123.502","0.004","90","","2922.6","1.4","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H17 Br Ir N S -","- C15 H17 Br Ir N S -","- C120 H136 Br8 Ir8 N8 S8 -","8","1","","Huynh, Han Vinh; Meier, Nicole; Pape, Tania; Hahn, F. Ekkehardt","Benzothiazolin-2-ylidene Complexes of Iridium(I)","Organometallics","2006","25","12","3012","","10.1021/om060006i","","","0.71073","MoKα","","0.0339","0.0283","","","0.063","0.0648","","","","","","1.076","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075048","31.097","0.006","8.0329","0.0016","15.71","0.003","90","","117.387","0.003","90","","3484.5","1.2","153","2","153","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H23 Br Ir N S -","- C18 H23 Br Ir N S -","- C144 H184 Br8 Ir8 N8 S8 -","8","1","","Huynh, Han Vinh; Meier, Nicole; Pape, Tania; Hahn, F. Ekkehardt","Benzothiazolin-2-ylidene Complexes of Iridium(I)","Organometallics","2006","25","12","3012","","10.1021/om060006i","","","0.71073","MoKα","","0.0402","0.0314","","","0.062","0.0644","","","","","","1.04","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075049","15.998","0.003","13.005","0.002","16.687","0.003","90","","106.774","0.003","90","","3324.1","1","153","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 Br Ir N S -","- C18 H21 Br Ir N S -","- C144 H168 Br8 Ir8 N8 S8 -","8","2","","Huynh, Han Vinh; Meier, Nicole; Pape, Tania; Hahn, F. Ekkehardt","Benzothiazolin-2-ylidene Complexes of Iridium(I)","Organometallics","2006","25","12","3012","","10.1021/om060006i","","","0.71073","MoKα","","0.0502","0.0374","","","0.0745","0.0789","","","","","","1.01","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075050","7.515","0.002","8.107","0.003","9.083","0.003","100.577","0.006","91.178","0.006","110.396","0.005","507.7","0.3","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 Br N S -","- C10 H10 Br N S -","- C20 H20 Br2 N2 S2 -","2","1","","Huynh, Han Vinh; Meier, Nicole; Pape, Tania; Hahn, F. Ekkehardt","Benzothiazolin-2-ylidene Complexes of Iridium(I)","Organometallics","2006","25","12","3012","","10.1021/om060006i","","","0.71073","MoKα","","0.0362","0.03","","","0.0707","0.0728","","","","","","1.03","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075051","13.0775","0.0004","13.4008","0.0005","22.552","0.0007","75.072","0.003","79.571","0.003","88.599","0.003","3754.7","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H76 P4 Pt2 -","- C88 H76 P4 Pt2 -","- C176 H152 P8 Pt4 -","2","1","","Long, Nicholas J.; Wong, Chun K.; White, Andrew J. P.","Synthesis and Spectroscopic and Electronic Characterization of New Cis-Configured Di- to Multiplatinum Alkynyls","Organometallics","2006","25","10","2525","","10.1021/om060007a","","","0.71073","MoKα","","0.0993","0.0835","","","0.1823","0.1935","","","","","","1.171","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075052","13.0807","0.0004","13.3965","0.0004","22.5451","0.0007","75.045","0.003","79.553","0.003","88.633","0.003","3752.5","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C88 H76 P4 Pt2 -","- C88 H76 P4 Pt2 -","- C176 H152 P8 Pt4 -","2","1","","Long, Nicholas J.; Wong, Chun K.; White, Andrew J. P.","Synthesis and Spectroscopic and Electronic Characterization of New Cis-Configured Di- to Multiplatinum Alkynyls","Organometallics","2006","25","10","2525","","10.1021/om060007a","","","0.71073","MoKα","","0.0911","0.082","","","0.1796","0.1863","","","","","","1.194","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075053","10.8658","0.0013","14.0197","0.0017","14.3413","0.0018","61.694","0.002","69.976","0.002","81.404","0.002","1807","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H40 P Pt Si -","- C38 H39 P Pt Si -","- C76 H78 P2 Pt2 Si2 -","2","1","","Braddock-Wilking, Janet; Corey, Joyce Y.; Trankler, Kevin A.; Xu, Huan; French, Lisa M.; Praingam, Ngamjit; White, Colin; Rath, Nigam P.","Spectroscopic and Reactivity Studies of Platinum−Silicon Monomers and Dimers","Organometallics","2006","25","11","2859","","10.1021/om060009v","","","0.71073","MoKα","","0.1792","0.0803","","","0.1619","0.2093","","","","","","1.09","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075054","11.055","0.001","12.486","0.001","19.647","0.001","103.27","0.01","97.06","0.01","89.98","0.01","2618.4","0.4","293","","293","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H27 Cl N O3 P Pd -","- C24 H27 Cl N O3 P Pd -","- C96 H108 Cl4 N4 O12 P4 Pd4 -","4","2","","Giannoccaro, Potenzo; Cornacchia, Daniele; Doronzo, Salvatore; Mesto, Ernesto; Quaranta, Eugenio; Aresta, Michele","Interaction of PdCl2-2-(β-diphenylphosphine)ethylpyridine Complex with Diols and CO: Synthesis of New Alkoxycarbonyl Complexes, Key Intermediates to Cyclic Carbonates","Organometallics","2006","25","11","2872","","10.1021/om060012e","","","0.71073","MoKα","","0.1586","0.0593","","0.0938","0.0644","0.0644","","","","","","1.0835","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075055","11.52","0.0007","11.938","0.0007","12.5195","0.001","83.491","0.003","90.327","0.003","63.088","0.003","1522.23","0.18","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","[{-CH2PPhC(NiPr)(NHiPr)}2]","","","- C28 H44 N4 P2 -","- C28 H44 N4 P2 -","- C56 H88 N8 P4 -","2","1","","Mansfield, Natalie E.; Coles, Martyn P.; Avent, Anthony G.; Hitchcock, Peter B.","Coordination Chemistry of Isomeric Mixtures of Linked Di(phosphaguanidine) Compounds: A Spectroscopic and Crystallographic Study","Organometallics","2006","25","10","2470","","10.1021/om060014z","","x-ray","0.71073","MoKα","","0.0803","0.0543","","","0.1149","0.1259","","","","","","1.033","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075056","9.2204","0.0007","10.0638","0.0008","11.1221","0.0009","110.804","0.005","97.381","0.005","94.342","0.004","948.53","0.13","173","2","173","2","","","","","","","synthesis as described","4","P -1","-P 1","2","[{-CH2P(Ph)C(NHcy)(Ncy)}2]","","","- C40 H60 N4 P2 -","- C40 H60 N4 P2 -","- C40 H60 N4 P2 -","1","0.5","","Mansfield, Natalie E.; Coles, Martyn P.; Avent, Anthony G.; Hitchcock, Peter B.","Coordination Chemistry of Isomeric Mixtures of Linked Di(phosphaguanidine) Compounds: A Spectroscopic and Crystallographic Study","Organometallics","2006","25","10","2470","","10.1021/om060014z","","x-ray","0.71073","MoKα","","0.0861","0.0584","","","0.1227","0.1353","","","","","","1.077","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075057","8.0203","0.0003","9.6862","0.0005","13.319","0.0006","107.397","0.002","93.777","0.003","102.148","0.003","956.02","0.08","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C32 H54 Al2 N4 P2 -","- C32 H54 Al2 N4 P2 -","- C32 H54 Al2 N4 P2 -","1","0.5","","Mansfield, Natalie E.; Coles, Martyn P.; Avent, Anthony G.; Hitchcock, Peter B.","Coordination Chemistry of Isomeric Mixtures of Linked Di(phosphaguanidine) Compounds: A Spectroscopic and Crystallographic Study","Organometallics","2006","25","10","2470","","10.1021/om060014z","","x-ray","0.71073","MoKα","","0.0885","0.0584","","","0.1617","0.1944","","","","","","0.76","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075058","13.0307","0.0004","13.0404","0.0004","45.5588","0.0015","83.446","0.001","82.619","0.002","85.102","0.002","7607.6","0.4","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C32 H54 Al2 N4 P2 -","- C32 H54 Al2 N4 P2 -","- C256 H432 Al16 N32 P16 -","8","4","","Mansfield, Natalie E.; Coles, Martyn P.; Avent, Anthony G.; Hitchcock, Peter B.","Coordination Chemistry of Isomeric Mixtures of Linked Di(phosphaguanidine) Compounds: A Spectroscopic and Crystallographic Study","Organometallics","2006","25","10","2470","","10.1021/om060014z","","x-ray","0.71073","MoKα","","0.1375","0.096","","","0.2187","0.2375","","","","","","1.141","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075059","9.2687","0.0003","11.2746","0.0003","12.3529","0.0004","107.3","0.002","92.69","0.002","103.33","0.002","1189.98","0.07","173","2","173","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C44 H70 Al2 N4 P2 -","- C44 H70 Al2 N4 P2 -","- C44 H70 Al2 N4 P2 -","1","0.5","","Mansfield, Natalie E.; Coles, Martyn P.; Avent, Anthony G.; Hitchcock, Peter B.","Coordination Chemistry of Isomeric Mixtures of Linked Di(phosphaguanidine) Compounds: A Spectroscopic and Crystallographic Study","Organometallics","2006","25","10","2470","","10.1021/om060014z","","x-ray","0.71073","MoKα","","0.0757","0.0614","","","0.16","0.1717","","","","","","1.019","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075060","16.8514","0.0008","12.2242","0.0004","25.0259","0.0011","90","","98.138","0.002","90","","5103.3","0.4","173","2","173","2","","","","","","","synthesis as described","6","P 1 21/c 1","-P 2ybc","14","","","","- C50.5 H72 I2 N4 P2 Pt -","- C50.5 H68 I2 N4 P2 Pt -","- C202 H272 I8 N16 P8 Pt4 -","4","1","","Mansfield, Natalie E.; Coles, Martyn P.; Avent, Anthony G.; Hitchcock, Peter B.","Coordination Chemistry of Isomeric Mixtures of Linked Di(phosphaguanidine) Compounds: A Spectroscopic and Crystallographic Study","Organometallics","2006","25","10","2470","","10.1021/om060014z","","x-ray","0.71073","MoKα","","0.0913","0.0516","","","0.091","0.1043","","","","","","1.033","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075061","11.239","0.012","17.766","0.017","9.63","0.01","90","","113.112","0.013","90","","1769","3","113.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 N2 S2 -","- C21 H21 N2 S2 -","- C84 H84 N8 S8 -","4","0.5","","Okamoto, Ken; Kanbara, Takaki; Yamamoto, Takakazu; Wada, Akihide","Preparation and Characterization of Luminescent SCS and NCN Pincer Platinum Complexes Derived from 3,5-Bis(anilinothiocarbonyl)toluene","Organometallics","2006","25","16","4026","","10.1021/om060016j","","","0.7107","MoKα","","","0.0359","","","","0.0515","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075062","7.5508","0.0016","14.336","0.003","15.891","0.004","90","","103.788","0.003","90","","1670.6","0.7","113.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H14 N2 S2 -","- C21 H14 N2 S2 -","- C84 H56 N8 S8 -","4","2","","Okamoto, Ken; Kanbara, Takaki; Yamamoto, Takakazu; Wada, Akihide","Preparation and Characterization of Luminescent SCS and NCN Pincer Platinum Complexes Derived from 3,5-Bis(anilinothiocarbonyl)toluene","Organometallics","2006","25","16","4026","","10.1021/om060016j","","","0.7107","MoKα","","","0.0805","","","","0.1455","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075063","11.157","0.006","17.573","0.008","14.538","0.007","90","","100.779","0.008","90","","2800","2","113.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 Cl N2 O2 Pt S4 -","- C25 H29 Cl N2 O2 Pt S4 -","- C100 H116 Cl4 N8 O8 Pt4 S16 -","4","1","","Okamoto, Ken; Kanbara, Takaki; Yamamoto, Takakazu; Wada, Akihide","Preparation and Characterization of Luminescent SCS and NCN Pincer Platinum Complexes Derived from 3,5-Bis(anilinothiocarbonyl)toluene","Organometallics","2006","25","16","4026","","10.1021/om060016j","","","0.7107","MoKα","","","0.0568","","","","0.0741","","","","","","0.995","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075064","7.964","0.004","15.43","0.007","14.702","0.007","90","","96.796","0.008","90","","1794","1.5","113.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H13 Cl N2 Pt S2 -","- C21 H13 Cl N2 Pt S2 -","- C84 H52 Cl4 N8 Pt4 S8 -","4","1","","Okamoto, Ken; Kanbara, Takaki; Yamamoto, Takakazu; Wada, Akihide","Preparation and Characterization of Luminescent SCS and NCN Pincer Platinum Complexes Derived from 3,5-Bis(anilinothiocarbonyl)toluene","Organometallics","2006","25","16","4026","","10.1021/om060016j","","","0.7107","MoKα","","","0.0308","","","","0.0413","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075065","13.621","0.0002","16.99","0.0003","14.089","0.0002","90","","107.17","0.001","90","","3115.18","0.09","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H35 Fe O4 P3 S -","- C32 H35 Fe O4 P3 S -","- C128 H140 Fe4 O16 P12 S4 -","4","1","","Imamura, Yuki; Kubo, Kazuyuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Reactions of Ring-Slipped Iron Complexes Derived from P(S)Ph-Bridged [1]Ferrocenophane: Synthesis of Bis(half-sandwich) Heterodinuclear Complexes","Organometallics","2006","25","9","2301","","10.1021/om060020v","","","0.71069","MoKα","","0.039","0.0336","","","0.0815","0.0837","","","","","","1.041","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075066","9.739","0.0001","21.077","0.0002","14.95","0.0001","90","","90.583","0.001","90","","3068.61","0.05","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H31 Fe Mo O9 P3 S -","- C25 H31 Fe Mo O9 P3 S -","- C100 H124 Fe4 Mo4 O36 P12 S4 -","4","1","","Imamura, Yuki; Kubo, Kazuyuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Reactions of Ring-Slipped Iron Complexes Derived from P(S)Ph-Bridged [1]Ferrocenophane: Synthesis of Bis(half-sandwich) Heterodinuclear Complexes","Organometallics","2006","25","9","2301","","10.1021/om060020v","","","0.71069","MoKα","","0.0388","0.0387","","","0.0988","0.099","","","","","","1.081","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075067","9.743","0.0001","13.249","0.0001","23.155","0.0002","90","","90","","90","","2988.96","0.05","200","2","200","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 Fe O9 P3 S W -","- C25 H31 Fe O9 P3 S W -","- C100 H124 Fe4 O36 P12 S4 W4 -","4","1","","Imamura, Yuki; Kubo, Kazuyuki; Mizuta, Tsutomu; Miyoshi, Katsuhiko","Reactions of Ring-Slipped Iron Complexes Derived from P(S)Ph-Bridged [1]Ferrocenophane: Synthesis of Bis(half-sandwich) Heterodinuclear Complexes","Organometallics","2006","25","9","2301","","10.1021/om060020v","","","0.71069","MoKα","","0.0397","0.0395","","","0.1046","0.1048","","","","","","1.032","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075068","22.0107","0.0018","12.6962","0.001","15.0501","0.0013","90","","128.556","0.002","90","","3288.9","0.5","113","2","113","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C33 H46 Mo O2 Si2 -","- C33 H46 Mo O2 Si2 -","- C132 H184 Mo4 O8 Si8 -","4","1","","Hirotsu, Masakazu; Nunokawa, Takehiko; Ueno, Keiji","Synthesis and Reactivity of a Donor-Free (Silyl)(silylene)molybdenum Complex: Novel Insertion Reaction of an Isocyanide into a Si−C Bond","Organometallics","2006","25","7","1554","","10.1021/om060022f","","","0.71073","MoKα","","0.0307","0.0306","","","0.0788","0.0791","","","","","","1.077","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075069","13.5552","0.0008","12.8074","0.0007","24.5519","0.0017","90","","104.986","0.002","90","","4117.4","0.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H63 Mo N O2 Si2 -","- C42 H63 Mo N O2 Si2 -","- C168 H252 Mo4 N4 O8 Si8 -","4","1","","Hirotsu, Masakazu; Nunokawa, Takehiko; Ueno, Keiji","Synthesis and Reactivity of a Donor-Free (Silyl)(silylene)molybdenum Complex: Novel Insertion Reaction of an Isocyanide into a Si−C Bond","Organometallics","2006","25","7","1554","","10.1021/om060022f","","","0.71073","MoKα","","0.0852","0.0754","","","0.1858","0.2158","","","","","","1.296","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075070","8.2305","0.0013","8.7775","0.0014","16.3203","0.0019","74.432","0.012","79.15","0.012","79.994","0.013","1106","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 Fe2 O3 P -","- C25 H23 Fe2 O3 P -","- C50 H46 Fe4 O6 P2 -","2","1","","Bitta, Joachim; Fassbender, Stefan; Reiss, Guido; Ganter, Christian","Mechanistic Insight into the Formation of Phosphaferrocene","Organometallics","2006","25","9","2394","","10.1021/om060025s","","","0.71073","MoKα","","0.0523","0.0427","","","0.0895","0.0946","","","","","","1.046","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075071","13.5223","0.0012","15.006","0.003","17.416","0.004","81.144","0.018","88.494","0.009","79.818","0.015","3436.9","1.1","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C68 H54 B2 F30 O Ta2 -","- C68 H54 B2 F30 O Ta2 -","- C136 H108 B4 F60 O2 Ta4 -","2","1","","Sánchez-Nieves, Javier; Royo, Pascual; Mosquera, Marta E. G.","Synthesis of the Cation Complex [TaCp*Me3]+and a Comparison of Its Reactivity with That of [TaCp*Me4]†","Organometallics","2006","25","9","2331","","10.1021/om060027c","","x-ray","0.71073","MoKα","","0.0968","0.0404","","","0.0673","0.0782","","","","","","0.978","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075072","13.5964","0.001","15.9305","0.0012","19.8104","0.0015","90","","94.936","0.001","90","","4275","0.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H53 B O Ru Si -","- C53 H53 B O Ru Si -","- C212 H212 B4 O4 Ru4 Si4 -","4","1","","Xue, Peng; Zhu, Jun; Liu, Sheng Hua; Huang, Xin; Ng, Weng Sang; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Reactions of [Cp*Ru(H2O)(NBD)]+with Dihydrogen, Silanes, Olefins, Alkynes, and Allenes","Organometallics","2006","25","9","2344","","10.1021/om0600285","","","0.71073","MoKα","","0.0444","0.0325","","","0.0743","0.0781","","","","","","1.021","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075073","11.4214","0.0008","12.2316","0.0008","16.3587","0.0011","99.684","0.001","103.762","0.001","109.475","0.001","2014.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51.25 H54 B O0.25 Ru -","- C51.25 H53 B O0.25 Ru -","- C102.5 H106 B2 O0.5 Ru2 -","2","1","","Xue, Peng; Zhu, Jun; Liu, Sheng Hua; Huang, Xin; Ng, Weng Sang; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Reactions of [Cp*Ru(H2O)(NBD)]+with Dihydrogen, Silanes, Olefins, Alkynes, and Allenes","Organometallics","2006","25","9","2344","","10.1021/om0600285","","","0.71073","MoKα","","0.0347","0.0285","","","0.0707","0.0725","","","","","","1.073","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075074","12.643","0.0009","16.8636","0.0013","17.9064","0.0013","90","","90","","90","","3817.8","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C50 H51 B Ru -","- C50 H51 B Ru -","- C200 H204 B4 Ru4 -","4","1","","Xue, Peng; Zhu, Jun; Liu, Sheng Hua; Huang, Xin; Ng, Weng Sang; Sung, Herman H. Y.; Williams, Ian D.; Lin, Zhenyang; Jia, Guochen","Reactions of [Cp*Ru(H2O)(NBD)]+with Dihydrogen, Silanes, Olefins, Alkynes, and Allenes","Organometallics","2006","25","9","2344","","10.1021/om0600285","","","0.71073","MoKα","","0.045","0.0355","","","0.0732","0.0766","","","","","","1.002","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075075","35.387","0.003","17.511","0.001","16.885","0.001","90","","103.882","0.003","90","","10157.4","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H32 Cl N2 Rh -","- C28 H32 Cl N2 Rh -","- C448 H512 Cl16 N32 Rh16 -","16","2","","Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.","New Rhodium(I) Carbene Complexes from Carbene Transfer Reactions","Organometallics","2006","25","9","2359","","10.1021/om060030w","","","0.71069","MoKα","","0.0439","0.0321","","","0.082","0.0867","","","","","","1.072","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075076","15.9685","0.0011","48.636","0.003","16.2885","0.001","90","","90.043","0.003","90","","12650.4","1.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C42 H48 Ag F6 N4 P -","- C42 H48 Ag F6 N4 P -","- C504 H576 Ag12 F72 N48 P12 -","12","3","","Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.","New Rhodium(I) Carbene Complexes from Carbene Transfer Reactions","Organometallics","2006","25","9","2359","","10.1021/om060030w","","","0.71073","MoKα","","0.0788","0.0384","","","0.0755","0.0863","","","","","","1.011","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075077","9.9376","0.0003","9.7772","0.0003","19.4287","0.0006","90","","96.898","0.001","90","","1874.07","0.1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Cl N2 O Rh -","- C20 H24 Cl N2 O Rh -","- C80 H96 Cl4 N8 O4 Rh4 -","4","1","","Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.","New Rhodium(I) Carbene Complexes from Carbene Transfer Reactions","Organometallics","2006","25","9","2359","","10.1021/om060030w","","","0.71073","MoKα","","0.0304","0.0257","","","0.0758","0.0773","","","","","","1.103","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075078","10.657","0.0005","12.6628","0.0006","19.749","0.001","90","","90","","90","","2665.1","0.2","173","2","173","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H36 Ag Cl N2 -","- C27 H36 Ag Cl N2 -","- C108 H144 Ag4 Cl4 N8 -","4","0.5","","Yu, Xiao-Yan; Patrick, Brian O.; James, Brian R.","New Rhodium(I) Carbene Complexes from Carbene Transfer Reactions","Organometallics","2006","25","9","2359","","10.1021/om060030w","","","0.71073","MoKα","","0.0318","0.0213","","","0.0579","0.0623","","","","","","1.068","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075079","35.665","0.015","10.282","0.004","20.27","0.009","90","0.0015","103.114","0.0017","90","0.0015","7239","5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C34 H45 Cl3 Ge O3 -","- C34 H45 Cl3 Ge O3 -","- C272 H360 Cl24 Ge8 O24 -","8","1","","Iwanaga, Kohei; Kobayashi, Junji; Kawashima, Takayuki; Takagi, Nozomi; Nagase, Shigeru","Syntheses, Structures, and Reactions of Heptacoordinate Trihalogermanes Bearing a Triarylmethyl-Type Tetradentate Ligand","Organometallics","2006","25","14","3388","","10.1021/om060031o","","","0.7107","MoKα","","0.0788","0.0719","","","0.1762","0.1799","","","","","","1.199","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075080","10.093","0.003","11.968","0.004","14.947","0.005","97.379","0.004","98.341","0.004","105.019","0.004","1699.1","1","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H45 F3 Ge O3 -","- C34 H46.134 F3 Ge O3 -","- C68 H92.268 F6 Ge2 O6 -","2","1","","Iwanaga, Kohei; Kobayashi, Junji; Kawashima, Takayuki; Takagi, Nozomi; Nagase, Shigeru","Syntheses, Structures, and Reactions of Heptacoordinate Trihalogermanes Bearing a Triarylmethyl-Type Tetradentate Ligand","Organometallics","2006","25","14","3388","","10.1021/om060031o","","","0.7107","MoKα","","0.0357","0.033","","","0.0819","0.0866","","","","","","1.14","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075081","19.7087","0.0005","19.7087","0.0005","19.7087","0.0005","90","","90","","90","","7655.5","0.3","120","2","120","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C40 H51 Br3 Ge O3 -","- C37 H48 Br3 Ge O3 -","- C296 H384 Br24 Ge8 O24 -","8","0.333333","","Iwanaga, Kohei; Kobayashi, Junji; Kawashima, Takayuki; Takagi, Nozomi; Nagase, Shigeru","Syntheses, Structures, and Reactions of Heptacoordinate Trihalogermanes Bearing a Triarylmethyl-Type Tetradentate Ligand","Organometallics","2006","25","14","3388","","10.1021/om060031o","","","0.7107","MoKα","","0.0397","0.0392","","","0.0979","0.0983","","","","","","1.173","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075082","19.9244","0.0005","19.9244","0.0005","19.9244","0.0005","90","","90","","90","","7909.6","0.3","120","2","120","2","","","","","","","","5","P a -3","-P 2ac 2ab 3","205","","","","- C37 H48 Ge I3 O3 -","- C37 H48 Ge I3 O3 -","- C296 H384 Ge8 I24 O24 -","8","0.333333","","Iwanaga, Kohei; Kobayashi, Junji; Kawashima, Takayuki; Takagi, Nozomi; Nagase, Shigeru","Syntheses, Structures, and Reactions of Heptacoordinate Trihalogermanes Bearing a Triarylmethyl-Type Tetradentate Ligand","Organometallics","2006","25","14","3388","","10.1021/om060031o","","","0.7107","MoKα","","0.0592","0.0536","","","0.1592","0.1634","","","","","","1.073","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075083","8.4991","0.0009","11.1497","0.0012","14.3709","0.0015","80.216","0.002","73.291","0.002","85.197","0.002","1284.5","0.2","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C19 H27 Au Cl Ge I N2 Si2 -","- C19 H27 Au Cl Ge I N2 Si2 -","- C38 H54 Au2 Cl2 Ge2 I2 N4 Si4 -","2","1","","Leung, Wing-Por; So, Cheuk-Wai; Chong, Kim-Hung; Kan, Kwok-Wai; Chan, Hoi-Shan; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(II) Chloride: Synthesis of Novel Lithium Germinate [{(PhC⋮C)3Ge}3GeLi(Et2O)3] and Ge(II)−M(I) (M = Cu and Au) Adducts","Organometallics","2006","25","11","2851","","10.1021/om060032g","","","0.71073","MoKα","","0.1076","0.0951","","","0.2724","0.2814","","","","","","1.038","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075084","22.2933","0.0008","22.2933","0.0008","14.1706","0.0007","90","","90","","90","","7042.7","0.5","293","2","293","2","","","","","","","","9","P -4 21 c","P -4 2n","114","","","","- C108 H172 Cl4 Cu4 Ge4 I4 N8 O8 Si8 -","- C108 H172 Cl4 Cu4 Ge4 I4 N8 O8 Si8 -","- C216 H344 Cl8 Cu8 Ge8 I8 N16 O16 Si16 -","2","0.25","","Leung, Wing-Por; So, Cheuk-Wai; Chong, Kim-Hung; Kan, Kwok-Wai; Chan, Hoi-Shan; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(II) Chloride: Synthesis of Novel Lithium Germinate [{(PhC⋮C)3Ge}3GeLi(Et2O)3] and Ge(II)−M(I) (M = Cu and Au) Adducts","Organometallics","2006","25","11","2851","","10.1021/om060032g","","","0.71073","MoKα","","0.1191","0.0509","","","0.1132","0.1467","","","","","","0.916","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075085","18.195","0.004","11.688","0.002","11.192","0.002","90","","99.29","0.03","90","","2348.9","0.8","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H31 B Ge N2 Si2 -","- C19 H31 B Ge N2 Si2 -","- C76 H124 B4 Ge4 N8 Si8 -","4","1","","Leung, Wing-Por; So, Cheuk-Wai; Chong, Kim-Hung; Kan, Kwok-Wai; Chan, Hoi-Shan; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(II) Chloride: Synthesis of Novel Lithium Germinate [{(PhC⋮C)3Ge}3GeLi(Et2O)3] and Ge(II)−M(I) (M = Cu and Au) Adducts","Organometallics","2006","25","11","2851","","10.1021/om060032g","","","0.71073","MoKα","","0.0585","0.0542","","","0.149","0.1591","","","","","","1.165","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075086","8.3622","0.0017","11.227","0.002","16.899","0.003","107.28","0.03","90.39","0.03","100.47","0.03","1486.6","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H32 Ge N2 Si2 -","- C27 H32 Ge N2 Si2 -","- C54 H64 Ge2 N4 Si4 -","2","1","","Leung, Wing-Por; So, Cheuk-Wai; Chong, Kim-Hung; Kan, Kwok-Wai; Chan, Hoi-Shan; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(II) Chloride: Synthesis of Novel Lithium Germinate [{(PhC⋮C)3Ge}3GeLi(Et2O)3] and Ge(II)−M(I) (M = Cu and Au) Adducts","Organometallics","2006","25","11","2851","","10.1021/om060032g","","","0.71073","MoKα","","0.0571","0.0524","","","0.1413","0.1486","","","","","","1.062","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075087","11.66","0.01","12.74","0.01","14.135","0.006","90.94","0.04","98.8","0.03","94.91","0.02","2066","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H55 Al N4 Si4 -","- C38 H55 Al N4 Si4 -","- C76 H110 Al2 N8 Si8 -","2","1","","Leung, Wing-Por; So, Cheuk-Wai; Chong, Kim-Hung; Kan, Kwok-Wai; Chan, Hoi-Shan; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(II) Chloride: Synthesis of Novel Lithium Germinate [{(PhC⋮C)3Ge}3GeLi(Et2O)3] and Ge(II)−M(I) (M = Cu and Au) Adducts","Organometallics","2006","25","11","2851","","10.1021/om060032g","","","0.71073","MoKα","","0.0903","0.0663","","","0.1564","0.17","","","","","","1.073","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4075088","9.886","0.004","13.942","0.005","19.366","0.007","90","","103.139","0.008","90","","2599.4","1.7","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H36 Ge N2 Si2 -","- C23 H36 Ge N2 Si2 -","- C92 H144 Ge4 N8 Si8 -","4","1","","Leung, Wing-Por; So, Cheuk-Wai; Chong, Kim-Hung; Kan, Kwok-Wai; Chan, Hoi-Shan; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(II) Chloride: Synthesis of Novel Lithium Germinate [{(PhC⋮C)3Ge}3GeLi(Et2O)3] and Ge(II)−M(I) (M = Cu and Au) Adducts","Organometallics","2006","25","11","2851","","10.1021/om060032g","","","0.71073","MoKα","","0.0953","0.0453","","","0.1003","0.113","","","","","","0.878","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075089","15.4011","0.0007","24.5315","0.0011","21.9725","0.001","90","","99.8","0.001","90","","8180.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84 H75 Ge4 Li O3 -","- C84 H75 Ge4 Li O3 -","- C336 H300 Ge16 Li4 O12 -","4","1","","Leung, Wing-Por; So, Cheuk-Wai; Chong, Kim-Hung; Kan, Kwok-Wai; Chan, Hoi-Shan; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(II) Chloride: Synthesis of Novel Lithium Germinate [{(PhC⋮C)3Ge}3GeLi(Et2O)3] and Ge(II)−M(I) (M = Cu and Au) Adducts","Organometallics","2006","25","11","2851","","10.1021/om060032g","","","0.71073","MoKα","","0.1985","0.0812","","","0.2376","0.278","","","","","","0.942","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075090","15.4011","0.0007","24.5315","0.0011","21.9725","0.001","90","","99.8","0.001","90","","8180.3","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C86 H80 Ge4 Li O3.5 -","- C86 H80 Ge4 Li O3.5 -","- C344 H320 Ge16 Li4 O14 -","4","1","","Leung, Wing-Por; So, Cheuk-Wai; Chong, Kim-Hung; Kan, Kwok-Wai; Chan, Hoi-Shan; Mak, Thomas C. W.","Reactivity of Pyridyl-1-azaallyl Germanium(II) Chloride: Synthesis of Novel Lithium Germinate [{(PhC⋮C)3Ge}3GeLi(Et2O)3] and Ge(II)−M(I) (M = Cu and Au) Adducts","Organometallics","2006","25","11","2851","","10.1021/om060032g","","","0.71073","MoKα","","0.1368","0.0658","","","0.1795","0.2129","","","","","","0.894","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075091","9.6135","0.0007","19.6956","0.0017","16.2506","0.0012","90","","95.3","0.003","90","","3063.8","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H49 P Zr -","- C33 H49 P Zr -","- C132 H196 P4 Zr4 -","4","1","","Bradley, Christopher A.; Keresztes, Ivan; Lobkovsky, Emil; Chirik, Paul J.","The ""Indenyl Effect"" in Zirconocene Dihydride Chemistry","Organometallics","2006","25","8","2080","","10.1021/om060035t","","","0.71073","MoKα","","0.0567","0.0323","","","0.0652","0.0715","","","","","","1.022","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075092","16.8836","0.0005","7.7972","0.0003","17.912","0.0006","90","","90","","90","","2358.02","0.14","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H15 N3 Pt -","- C12 H15 N3 Pt -","- C96 H120 N24 Pt8 -","8","1","","Britovsek, George J. P.; Taylor, Russell A.; Sunley, Glenn J.; Law, David J.; White, Andrew J. P.","Protonation of Platinum(II) Dialkyl Complexes Containing Ligands with Proximate H-Bonding Substituents","Organometallics","2006","25","8","2074","","10.1021/om060036l","","","0.71073","MoKα","","0.0478","0.0472","","","0.1227","0.1233","","","","","","1.279","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075093","14.72","0.004","19.528","0.005","13.172","0.003","90","","109.675","0.003","90","","3565.3","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H35 Ir N2 O2 -","- C47 H35 Ir N2 O2 -","- C188 H140 Ir4 N8 O8 -","4","1","","Zhao, Qiang; Jiang, Chang-Yun; Shi, Mei; Li, Fu-You; Yi, Tao; Cao, Yong; Huang, Chun-Hui","Synthesis and Photophysical, Electrochemical, and Electrophosphorescent Properties of a Series of Iridium(III) Complexes Based on Quinoline Derivatives and Different β-Diketonate Ligands","Organometallics","2006","25","15","3631","","10.1021/om060037d","","","0.71073","MoKα","","0.0421","0.0276","","","0.0622","0.068","","","","","","1.025","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075094","13.9461","0.001","15.973","0.0012","16.2461","0.0016","71.238","0.015","77.455","0.015","67.386","0.015","3145.1","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C64 H48 Cl4 Ir2 N4 O4 S4 -","- C64 H46 Cl3.96 Ir2 N4 O4 S4 -","- C128 H92 Cl7.92 Ir4 N8 O8 S8 -","2","1","","Zhao, Qiang; Jiang, Chang-Yun; Shi, Mei; Li, Fu-You; Yi, Tao; Cao, Yong; Huang, Chun-Hui","Synthesis and Photophysical, Electrochemical, and Electrophosphorescent Properties of a Series of Iridium(III) Complexes Based on Quinoline Derivatives and Different β-Diketonate Ligands","Organometallics","2006","25","15","3631","","10.1021/om060037d","","","0.71073","MoKα","","0.0697","0.0427","","","0.1042","0.1208","","","","","","1.01","","","","has coordinates,has disorder","178639","2020-10-21","18:00:00",""
"4075095","19.2582","0.0014","8.7467","0.0007","26.2846","0.0019","90","","100.592","0.001","90","","4352.1","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H33 N2 P Ru -","- C20 H33 N2 P Ru -","- C160 H264 N16 P8 Ru8 -","8","1","","Zheng, Wenjun; Zhang, Guozhen; Fan, Kangnian","Synthesis and Characterization of η5-1,2,4-Diazaphospholide Complexes of Ruthenium†","Organometallics","2006","25","7","1548","","10.1021/om060041p","","","0.71073","MoKα","","0.0439","0.0346","","","0.0779","0.0811","","","","","","0.988","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075096","18.859","0.002","9.659","0.001","21.97","0.002","90","","105.588","0.005","90","","3854.8","0.7","296.1","","","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C43 H37 N O P2 Pd S -","- C43 H37 N O P2 Pd S -","- C172 H148 N4 O4 P8 Pd4 S4 -","4","1","","Kamiya, Ikuyo; Kawakami, Jun-ichi; Yano, Shigenobu; Nomoto, Akihiro; Ogawa, Akiya","A Highly Regioselective Cyanothiolation of Alkynes via Oxidative Addition of Thiocyanates to Tetrakis(triphenylphosphine)palladium(0) Catalyst","Organometallics","2006","25","15","3562","","10.1021/om0600442","","","0.7107","MoKα","","","0.042","","","","0.049","","","","","","1.017","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075097","9.4075","0.0018","15.683","0.003","16.292","0.003","104.389","0.005","102.912","0.005","103.148","0.005","2165.1","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C47.5 H62 O2 S2 Ti -","- C47.5 H62 O2 S2 Ti -","- C95 H124 O4 S4 Ti2 -","2","1","","Beckerle, Klaus; Manivannan, Ramanujachary; Spaniol, Thomas P.; Okuda, Jun","Living Isospecific Styrene Polymerization by Chiral Benzyl Titanium Complexes That Contain a Tetradentate [OSSO]-Type Bis(phenolato) Ligand","Organometallics","2006","25","12","3019","","10.1021/om060047e","","","0.71073","MoKα","","0.0561","0.0422","","","0.1011","0.1083","","","","","","1.024","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075098","17.5899","0.0008","17.7225","0.0008","16.846","0.0008","90","","99.053","0.001","90","","5186.1","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C54 H72 Cu F6 N4 P -","- C54 H72 Cu F6 N4 P -","- C216 H288 Cu4 F24 N16 P4 -","4","0.5","","Díez-González, Silvia; Scott, Natalie M.; Nolan, Steven P.","Cationic Copper(I) Complexes as Efficient Precatalysts for the Hydrosilylation of Carbonyl Compounds","Organometallics","2006","25","9","2355","","10.1021/om0600487","","","0.71073","MoKα","","0.0551","0.0539","","","0.1639","0.165","","","","","","1.246","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075099","25.989","0.0009","25.989","0.0009","33.365","0.002","90","","90","","90","","22535.7","1.7","150","2","150","2","","","","","","","","7","I 41 c d","I 4bw -2c","110","","","","- C55 H68 B Cl2 Cu F4 N4 -","- C55 H68 B Cl2 Cu F4 N4 -","- C880 H1088 B16 Cl32 Cu16 F64 N64 -","16","1","","Díez-González, Silvia; Scott, Natalie M.; Nolan, Steven P.","Cationic Copper(I) Complexes as Efficient Precatalysts for the Hydrosilylation of Carbonyl Compounds","Organometallics","2006","25","9","2355","","10.1021/om0600487","","","0.71073","MoKα","","0.1081","0.0921","","","0.2125","0.2235","","","","","","1.112","","","","has coordinates","178639","2020-10-21","18:00:00",""
"4075100","11.39","0.0002","13.595","0.0002","14.5","0.0003","90","","102.357","0.0008","90","","2193.27","0.07","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H39 Cl Ir N P2 -","- C16 H39 Cl Ir N P2 -","- C64 H156 Cl4 Ir4 N4 P8 -","4","1","","Clarke, Zaheer E.; Maragh, Paul T.; Dasgupta, Tara P.; Gusev, Dmitry G.; Lough, Alan J.; Abdur-Rashid, Kamaluddin","A Family of Active Iridium Catalysts for Transfer Hydrogenation of Ketones","Organometallics","2006","25","17","4113","","10.1021/om060049z","","","0.71073","MoKα","","0.0417","0.0361","","","0.0891","0.093","","","","","","1.026","","","","has coordinates","209531","2020-10-21","18:00:00",""
"4075101","18.722","0.011","8.699","0.004","24.36","0.014","90","","99.21","0.04","90","","3916","4","188","2","188","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Bis(3,5-dimethylpyrazol-1-yl)acetato-chloro- (2-tolylvinylidene-triphenylphosphine)-ruthenium(ii)","","- C40 H40 Cl3 N4 O2 P Ru -","- C40 H40 Cl3 N4 O2 P Ru -","- C160 H160 Cl12 N16 O8 P4 Ru4 -","4","1","","Kopf, Henning; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai","Ruthenium Carbene, Vinylidene, and Allenylidene Complexes with a Bis(3,5-dimethylpyrazol-1-yl)acetato Heteroscorpionate Ligand","Organometallics","2006","25","10","2533","","10.1021/om060050y","","","0.71073","MoKα","","0.145","0.1011","","","0.2501","0.2732","","","","","","1.096","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075102","10.059","0.005","11.478","0.004","15.463","0.004","82.19","0.014","71.12","0.03","78.79","0.02","1651.9","1.1","158","2","158","2","","","","","","","","7","P -1","-P 1","2","","Bis(3,5-dimethylpyrazol-1-yl)acetato-chloro- carbonyl-triphenylphosphine-ruthenium(ii)","","- C32 H32 Cl3 N4 O3 P Ru -","- C32 H32 Cl3 N4 O3 P Ru -","- C64 H64 Cl6 N8 O6 P2 Ru2 -","2","1","","Kopf, Henning; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai","Ruthenium Carbene, Vinylidene, and Allenylidene Complexes with a Bis(3,5-dimethylpyrazol-1-yl)acetato Heteroscorpionate Ligand","Organometallics","2006","25","10","2533","","10.1021/om060050y","","","0.71073","MoKα","","0.0524","0.0434","","","0.1251","0.1305","","","","","","1.098","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075103","10.254","0.003","14.407","0.006","22.05","0.008","90","","92.597","0.018","90","","3254","2","188","2","188","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Bis(3,5-dimethylpyrazol-1-yl)acetato-chloro- (2-oxacyclohexylidene)-triphenylphosphine-ruthenium(ii)","","- C35 H38 Cl N4 O3 P Ru -","- C35 H38 Cl N4 O3 P Ru -","- C140 H152 Cl4 N16 O12 P4 Ru4 -","4","1","","Kopf, Henning; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai","Ruthenium Carbene, Vinylidene, and Allenylidene Complexes with a Bis(3,5-dimethylpyrazol-1-yl)acetato Heteroscorpionate Ligand","Organometallics","2006","25","10","2533","","10.1021/om060050y","","","0.71073","MoKα","","0.0608","0.0429","","","0.098","0.1064","","","","","","1.053","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075104","12.445","0.006","15.072","0.008","25.059","0.011","87.26","0.04","77.12","0.03","80.99","0.04","4525","4","188","2","188","2","","","","","","","","7","P -1","-P 1","2","","Bis(3,5-dimethylpyrazol-1-yl)acetato-chloro- (3,3-diphenylallenylidene)-triphenylphosphine-ruthenium(ii)","","- C91.5 H81.5 Cl6.5 N8 O4 P2 Ru2 -","- C91.5 H81.5 Cl6.5 N8 O4 P2 Ru2 -","- C183 H163 Cl13 N16 O8 P4 Ru4 -","2","1","","Kopf, Henning; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai","Ruthenium Carbene, Vinylidene, and Allenylidene Complexes with a Bis(3,5-dimethylpyrazol-1-yl)acetato Heteroscorpionate Ligand","Organometallics","2006","25","10","2533","","10.1021/om060050y","","","0.71073","MoKα","","0.0934","0.0742","","","0.1937","0.2087","","","","","","1.031","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075105","12.451","0.004","12.551","0.007","14.899","0.009","91.81","0.04","99.29","0.03","101.42","0.03","2247","2","188","2","188","2","","","","","","","","7","P -1","-P 1","2","","Bis(3,5-dimethylpyrazol-1-yl)acetato-chloro- (3,3-diphenylallenylidene)-triphenylphosphine-ruthenium(ii)","","- C47 H44 Cl5 N4 O2 P Ru -","- C47 H44 Cl5 N4 O2 P Ru -","- C94 H88 Cl10 N8 O4 P2 Ru2 -","2","1","","Kopf, Henning; Pietraszuk, Cezary; Hübner, Eike; Burzlaff, Nicolai","Ruthenium Carbene, Vinylidene, and Allenylidene Complexes with a Bis(3,5-dimethylpyrazol-1-yl)acetato Heteroscorpionate Ligand","Organometallics","2006","25","10","2533","","10.1021/om060050y","","","0.71073","MoKα","","0.0918","0.0542","","","0.1088","0.1238","","","","","","1.007","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075106","39.707","0.008","8.47","0.0017","22.556","0.005","90","","90.54","0.03","90","","7586","3","149","2","149","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H30 Ge -","- C20 H30 Ge -","- C320 H480 Ge16 -","16","2","","Schenk, Christian; Schnepf, Andreas","Molecular Structure in the Solid State of Bis(pentamethylcyclopentadienyl)germanium","Organometallics","2006","25","9","2378","","10.1021/om060051q","","","0.71073","MoKα","","0.0741","0.0431","","","0.0814","0.0895","","","","","","1.022","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075107","26.0737","0.0003","18.9165","0.0002","16.9219","0.0002","90","","120.96","0.0006","90","","7157.17","0.15","123","1","123","1","","","","","","","see text","5","C 1 2/c 1","-C 2yc","15","","","","- C68 H90 La2 O16 S4 -","- C68 H90 La2 O16 S4 -","- C272 H360 La8 O64 S16 -","4","0.5","","Fischbach, Andreas; Perdih, Franc; Herdtweck, Eberhardt; Anwander, Reiner","Structure−Reactivity Relationships in Rare-Earth Metal Carboxylate-Based Binary Ziegler-Type Catalysts","Organometallics","2006","25","7","1626","","10.1021/om060052i","","","0.71073","MoKα","","0.0269","0.0221","","","0.0498","0.052","","","","","","1.023","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075108","9.6455","0.0001","15.2867","0.0002","15.6504","0.0002","116.941","0.0005","99.3467","0.0007","94.9344","0.0007","1996.17","0.04","123","1","123","1","","","","","","","see text","5","P -1","-P 1","2","","not known","","- C36 H51 Nd O9 S3 -","- C36 H51 Nd O9 S3 -","- C72 H102 Nd2 O18 S6 -","2","1","","Fischbach, Andreas; Perdih, Franc; Herdtweck, Eberhardt; Anwander, Reiner","Structure−Reactivity Relationships in Rare-Earth Metal Carboxylate-Based Binary Ziegler-Type Catalysts","Organometallics","2006","25","7","1626","","10.1021/om060052i","","","0.71073","MoKα","","0.0201","0.0196","","","0.0502","0.0504","","","","","","1.08","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075109","10.0759","0.0001","10.0962","0.0001","19.237","0.0002","90","","104.233","0.0003","90","","1896.88","0.03","153","1","153","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 Al2 O4 -","- C36 H58 Al2 O4 -","- C72 H116 Al4 O8 -","2","0.5","","Fischbach, Andreas; Perdih, Franc; Herdtweck, Eberhardt; Anwander, Reiner","Structure−Reactivity Relationships in Rare-Earth Metal Carboxylate-Based Binary Ziegler-Type Catalysts","Organometallics","2006","25","7","1626","","10.1021/om060052i","","","0.71073","MoKα","","0.0388","0.0348","","","0.0913","0.0945","","","","","","1.028","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075110","23.7992","0.0002","19.6717","0.0001","15.1649","0.0001","90","","114.63","0.0003","90","","6453.84","0.08","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H106 Al4 La2 O4 -","- C54 H106 Al4 La2 O4 -","- C216 H424 Al16 La8 O16 -","4","0.5","","Fischbach, Andreas; Perdih, Franc; Herdtweck, Eberhardt; Anwander, Reiner","Structure−Reactivity Relationships in Rare-Earth Metal Carboxylate-Based Binary Ziegler-Type Catalysts","Organometallics","2006","25","7","1626","","10.1021/om060052i","","","0.71073","MoKα","","0.0348","0.0244","","","0.0564","0.0602","","","","","","1.039","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075111","23.5611","0.0002","19.4031","0.0001","15.2363","0.0001","90","","113.59","0.0003","90","","6383.32","0.08","123","1","123","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H106 Al4 Nd2 O4 -","- C54 H106 Al4 Nd2 O4 -","- C216 H424 Al16 Nd8 O16 -","4","0.5","","Fischbach, Andreas; Perdih, Franc; Herdtweck, Eberhardt; Anwander, Reiner","Structure−Reactivity Relationships in Rare-Earth Metal Carboxylate-Based Binary Ziegler-Type Catalysts","Organometallics","2006","25","7","1626","","10.1021/om060052i","","","0.71073","MoKα","","0.023","0.0179","","","0.0397","0.0415","","","","","","1.023","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075112","17.4418","0.0005","17.9056","0.0005","17.6865","0.0005","90","","96.299","0.001","90","","5490.3","0.3","110","2","110","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H35 B9 I Mo N O4 -","- C19 H35 B9 I Mo N O4 -","- C152 H280 B72 I8 Mo8 N8 O32 -","8","2","","Lei, Peng; McGrath, Thomas D.; Stone, F. Gordon A.","Oxidation of the Bis-molybdenum(0) Trianion [1,3,6-{Mo(CO)3}-3,6-(μ-H)2-1,1,1-(CO)3-2-Ph-closo-1,2-MoCB9H7]3-: Metal and Boron Vertex Substitution and Cluster Expansion§","Organometallics","2006","25","8","2011","","10.1021/om0600543","","","0.71073","MoKα","","0.0422","0.0276","","","0.0633","0.0677","","","","","","1.038","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075113","14.867","0.003","17.634","0.003","17.202","0.003","90","","90","","90","","4509.8","1.4","110","2","110","2","","","","","","","","5","C m c 21","C 2c -2","36","","","","- C37 H70 B9 Mo N5 -","- C37 H70 B9 Mo N5 -","- C148 H280 B36 Mo4 N20 -","4","0.5","","Lei, Peng; McGrath, Thomas D.; Stone, F. Gordon A.","Oxidation of the Bis-molybdenum(0) Trianion [1,3,6-{Mo(CO)3}-3,6-(μ-H)2-1,1,1-(CO)3-2-Ph-closo-1,2-MoCB9H7]3-: Metal and Boron Vertex Substitution and Cluster Expansion§","Organometallics","2006","25","8","2011","","10.1021/om0600543","","","0.71073","MoKα","","0.0472","0.0373","","","0.0907","0.0946","","","","","","1.018","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075114","12.1448","0.0007","16.2297","0.0011","29.596","0.002","90","","90","","90","","5833.6","0.7","110","2","110","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H42 B9 Mo N3 O -","- C22 H42 B9 Mo N3 O -","- C176 H336 B72 Mo8 N24 O8 -","8","1","","Lei, Peng; McGrath, Thomas D.; Stone, F. Gordon A.","Oxidation of the Bis-molybdenum(0) Trianion [1,3,6-{Mo(CO)3}-3,6-(μ-H)2-1,1,1-(CO)3-2-Ph-closo-1,2-MoCB9H7]3-: Metal and Boron Vertex Substitution and Cluster Expansion§","Organometallics","2006","25","8","2011","","10.1021/om0600543","","","0.71073","MoKα","","0.0651","0.0352","","","0.0774","0.0863","","","","","","1.03","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075115","10.724","0.002","15.387","0.003","19.162","0.004","98.622","0.009","96.983","0.009","99.202","0.009","3051.5","1.1","110","2","110","2","","","","","","","","9","P -1","-P 1","2","","","","- C60 H56 B9 Cl2 Mo2 N O4 P2 S2 -","- C60 H56 B9 Cl2 Mo2 N O4 P2 S2 -","- C120 H112 B18 Cl4 Mo4 N2 O8 P4 S4 -","2","1","","Lei, Peng; McGrath, Thomas D.; Stone, F. Gordon A.","Oxidation of the Bis-molybdenum(0) Trianion [1,3,6-{Mo(CO)3}-3,6-(μ-H)2-1,1,1-(CO)3-2-Ph-closo-1,2-MoCB9H7]3-: Metal and Boron Vertex Substitution and Cluster Expansion§","Organometallics","2006","25","8","2011","","10.1021/om0600543","","","0.71073","MoKα","","0.0406","0.0329","","","0.0836","0.0887","","","","","","1.017","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075116","8.9777","0.0002","9.3145","0.0002","24.3328","0.0006","90","","93.1687","0.0012","90","","2031.67","0.08","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Br P S -","- C22 H22 Br P S -","- C88 H88 Br4 P4 S4 -","4","1","","Fischer, Jan; Schürmann, Markus; Mehring, Michael; Zachwieja, Uwe; Jurkschat, Klaus","The First O,C,S-Coordinating Pincer-Type Ligand and Its Application to the Synthesis of a Triorganotin Cation Stabilized by Two Different Donor Atoms†","Organometallics","2006","25","11","2886","","10.1021/om0600590","","","0.71073","MoKα","","0.0783","0.0317","","","0.0533","0.0592","","","","","","0.864","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075117","11.2637","0.001","14.92","0.002","17.289","0.002","84.923","0.004","89.342","0.007","77.652","0.007","2827.1","0.6","173","1","173","1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 O3 P2 S -","- C28 H36 O3 P2 S -","- C112 H144 O12 P8 S4 -","4","2","","Fischer, Jan; Schürmann, Markus; Mehring, Michael; Zachwieja, Uwe; Jurkschat, Klaus","The First O,C,S-Coordinating Pincer-Type Ligand and Its Application to the Synthesis of a Triorganotin Cation Stabilized by Two Different Donor Atoms†","Organometallics","2006","25","11","2886","","10.1021/om0600590","","","0.71073","MoKα","","0.11","0.0422","","","0.0789","0.0859","","","","","","0.775","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075118","12.3286","0.0009","13.3439","0.0008","15.2367","0.0008","113.043","0.003","92.551","0.004","104.67","0.003","2202.2","0.2","173","1","173","1","","","","","","","","7","P -1","-P 1","2","","","","- C46.6 H51.2 Cl1.2 O3 P2 S Sn -","- C46.6 H50 Cl1.2 O3 P2 S Sn -","- C93.2 H100 Cl2.4 O6 P4 S2 Sn2 -","2","1","","Fischer, Jan; Schürmann, Markus; Mehring, Michael; Zachwieja, Uwe; Jurkschat, Klaus","The First O,C,S-Coordinating Pincer-Type Ligand and Its Application to the Synthesis of a Triorganotin Cation Stabilized by Two Different Donor Atoms†","Organometallics","2006","25","11","2886","","10.1021/om0600590","","","0.71073","MoKα","","0.1156","0.0455","","","0.0693","0.0766","","","","","","0.775","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075119","11.1588","0.0005","11.8227","0.0011","16.2506","0.0014","88.244","0.003","74.999","0.005","86.297","0.005","2066.3","0.3","173","1","173","1","","","","","","","","7","P -1","-P 1","2","","","","- C40 H45 F6 O3 P3 S Sn -","- C40 H45 F6 O3 P3 S Sn -","- C80 H90 F12 O6 P6 S2 Sn2 -","2","1","","Fischer, Jan; Schürmann, Markus; Mehring, Michael; Zachwieja, Uwe; Jurkschat, Klaus","The First O,C,S-Coordinating Pincer-Type Ligand and Its Application to the Synthesis of a Triorganotin Cation Stabilized by Two Different Donor Atoms†","Organometallics","2006","25","11","2886","","10.1021/om0600590","","","0.71073","MoKα","","0.0936","0.039","","","0.0551","0.061","","","","","","0.724","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075120","7.9484","0.0004","16.5723","0.0008","20.6387","0.001","90","","99.693","0.001","90","","2679.8","0.2","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1104 [Mo(PNP-iPr)(CO)3].CH3CN","","","- C22 H36 Mo N4 O3 P2 -","- C22 H36 Mo N4 O3 P2 -","- C88 H144 Mo4 N16 O12 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0239","0.022","","","0.0566","0.0575","","","","","","1.07","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075121","8.7608","0.0004","16.0486","0.0007","21.8824","0.0009","90","","97.572","0.001","90","","3049.8","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","1112 [Mo(PNP-tBu)(CO)3].CH3CN","","","- C26 H44 Mo N4 O3 P2 -","- C26 H44 Mo N4 O3 P2 -","- C104 H176 Mo4 N16 O12 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0222","0.0201","","","0.0497","0.0508","","","","","","1.08","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075122","8.1066","0.0004","13.3085","0.0008","15.5256","0.0008","102.783","0.001","92.557","0.001","107.697","0.001","1544.87","0.14","100","2","100","2","","","","","","","","7","P -1","-P 1","2","1111 [Mo(PNP-iPr)(CO)3(I)].(I3)","","","- C20 H33 I4 Mo N3 O3 P2 -","- C20 H33 I4 Mo N3 O3 P2 -","- C40 H66 I8 Mo2 N6 O6 P4 -","2","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0229","0.0216","","","0.0537","0.0543","","","","","","1.092","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075123","8.2485","0.0007","16.9509","0.0014","20.8763","0.0017","90","","95.749","0.002","90","","2904.2","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","1106 [Mo(PNP-iPr)(CO)2(CH3CN)(I)]I","","","- C21 H36 I2 Mo N4 O2 P2 -","- C21 H36 I2 Mo N4 O2 P2 -","- C84 H144 I8 Mo4 N16 O8 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0458","0.0405","","","0.0908","0.0945","","","","","","1.02","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075124","16.3735","0.0008","11.6332","0.0006","24.4946","0.0013","90","","99.322","0.001","90","","4604","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","857 [Fe(PNP-Ph)(CH3CN)3](BF4)2+3(CH3CN)","","","- C41 H43 B2 F8 Fe N9 P2 -","- C41 H43 B2 F8 Fe N9 P2 -","- C164 H172 B8 F32 Fe4 N36 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0683","0.05","","","0.1279","0.141","","","","","","1.026","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075125","11.0106","0.0005","18.6305","0.0008","19.4426","0.0008","90","","90","","90","","3988.3","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","995 [Fe(PNP-iPr)(CH3CN)3](BF4)2.solv","","","- C23 H42 B2 F8 Fe N6 P2 -","- C23 H42 B1.995 F8 Fe N6 P2 -","- C92 H168 B7.98 F32 Fe4 N24 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0512","0.049","","","0.1334","0.1366","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075126","12.5467","0.0007","18.0244","0.0011","19.2853","0.0011","101.294","0.001","99.336","0.001","94.203","0.001","4195.3","0.4","173","2","173","2","","","","","","","","8","P -1","-P 1","2","1045 [Fe(PNP-BIPOL)(CH3CN)3](BF4)2.solv","","","- C35 H30 B2 F8 Fe N6 O4 P2 -","- C35 H30 B2 F8 Fe N6 O4 P2 -","- C140 H120 B8 F32 Fe4 N24 O16 P8 -","4","2","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0527","0.042","","","0.1158","0.1237","","","","","","1.066","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075127","8.8343","0.0004","11.0454","0.0005","35.9063","0.0018","90","","90","","90","","3503.7","0.3","173","2","173","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","1055 [Fe(PNP-TarMe)(CH3CN)3](BF4)2","","","- C23 H30 B2 F8 Fe N6 O12 P2 -","- C23 H30 B2 F8 Fe N6 O12 P2 -","- C92 H120 B8 F32 Fe4 N24 O48 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0329","0.0321","","","0.0828","0.0834","","","","","","1.1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075128","11.6591","0.0006","11.67","0.0006","22.4063","0.0011","94.318","0.001","90.115","0.001","115.918","0.001","2732.2","0.2","100","2","100","2","","","","","","","","9","P -1","-P 1","2","1122 [Fe(Phenyltriazine-PNP-Ph)(CH3CN)3](BF4)2.3C2H4Cl2.H2O","","","- C45 H50 B2 Cl6 F8 Fe N8 O P2 -","- C45 H50 B2.002 Cl6 F8.012 Fe N8 O P2 -","- C90 H100 B4.004 Cl12 F16.024 Fe2 N16 O2 P4 -","2","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0441","0.0373","","","0.0987","0.1044","","","","","","1.029","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075129","12.7153","0.0006","13.1428","0.0006","13.1741","0.0006","63.936","0.001","73.814","0.001","86.801","0.001","1893.62","0.15","173","2","173","2","","","","","","","","8","P -1","-P 1","2","1042 [Fe(PNP-BIPOL)(CH3CN)3].BF4.CH3CN","","","- C37 H32 B F4 Fe N7 O4 P2 -","- C37 H32 B F4 Fe N7 O4 P2 -","- C74 H64 B2 F8 Fe2 N14 O8 P4 -","2","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0436","0.0359","","","0.0933","0.1002","","","","","","1.008","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075130","11.659","0.002","13.706","0.003","24.476","0.005","89.319","0.004","79.691","0.004","87.069","0.004","3843","1.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","869 [Fe(PNP-Ph)(bipy)(CH3CN)](BPh4)2.solv","","","- C89 H76 B2 Fe N6 P2 -","- C89 H76 B2 Fe N6 P2 -","- C178 H152 B4 Fe2 N12 P4 -","2","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0704","0.0515","","","0.1339","0.1422","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075131","10.9571","0.0005","14.155","0.0006","31.6243","0.0015","90","","90","","90","","4904.9","0.4","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","872 [Fe(PNP-Ph)(terpy)](BF4)2.solv","","","- C44 H36 B2 F8 Fe N6 P2 -","- C44 H36 B2 F8 Fe N6 P2 -","- C176 H144 B8 F32 Fe4 N24 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0476","0.044","","","0.1109","0.1128","","","","","","1.088","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075132","25.3728","0.0004","25.3728","0.0004","25.3728","0.0004","90","","90","","90","","16334.5","0.4","173","2","173","2","","","","","","","","7","I -4 3 d","I -4bd 2c 3","220","934 [Fe(PNP-Ph)2](BF4)2","","","- C58 H50 B2 F8 Fe N6 P4 -","- C58 H50 B1.72 F9.30533 Fe N6 P4 -","- C696 H600 B20.64 F111.664 Fe12 N72 P48 -","12","0.25","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0606","0.0449","","","0.1134","0.1305","","","","","","1.07","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075133","10.236","0.007","13.506","0.014","18.298","0.013","107.63","0.02","93.4","0.01","93.13","0.01","2400","3","173","2","173","2","","","","","","","","7","P -1","-P 1","2","1092 [Ru(PNP-BIPOL)(PPh3)(Cl)2].2CH2Cl2","","","- C49 H40 Cl6 N3 O4 P3 Ru -","- C49 H40 Cl6 N3 O4 P3 Ru -","- C98 H80 Cl12 N6 O8 P6 Ru2 -","2","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.1211","0.1164","","","0.2162","0.2309","","","","","","1.086","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075134","12.5635","0.0006","14.9548","0.0007","18.4417","0.0009","90","","90","","90","","3464.9","0.3","300","2","300","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","859 [Ni(PNP-Ph)(Br)].Br.solv","","","- C29 H25 Br2 N3 Ni P2 -","- C29 H25 Br2 N3 Ni P2 -","- C116 H100 Br8 N12 Ni4 P8 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0504","0.0409","","","0.1014","0.106","","","","","","1.03","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075135","7.8079","0.0004","7.9355","0.0004","22.658","0.0011","80.501","0.001","88.178","0.001","80.752","0.001","1366.61","0.12","100","2","100","2","","","","","","","","7","P -1","-P 1","2","1125 [Ni(PNP-tBu)(Br)]Br.(MeOH)0.5","","","- C43 H86 Br4 N6 Ni2 O P4 -","- C43 H86 Br4 N6 Ni2 O P4 -","- C43 H86 Br4 N6 Ni2 O P4 -","1","0.5","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0253","0.0218","","","0.0535","0.0549","","","","","","1.025","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075136","11.9574","0.0006","24.899","0.0012","11.8565","0.0006","90","","102.277","0.002","90","","3449.3","0.3","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","991 [Pd(PNP-tBu)(Cl)].Cl.2CH2Cl2","","","- C23 H45 Cl6 N3 P2 Pd -","- C22.807 H44.614 Cl5.614 N3 P2 Pd -","- C91.228 H178.456 Cl22.456 N12 P8 Pd4 -","4","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.0309","0.0296","","","0.0773","0.0782","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075137","12.9005","0.0018","16.118","0.003","20.204","0.003","90.731","0.003","107.214","0.003","113.257","0.003","3646.3","1","100","2","100","2","","","","","","","","9","P -1","-P 1","2","1115 2[Pd(PNP-BIPOL)(Cl)].2(CF3SO3).Et2O.2CH3CN","","","- C68 H58 Cl2 F6 N8 O15 P4 Pd2 S2 -","- C68 H58 Cl2 F6 N8 O15 P4 Pd2 S2 -","- C136 H116 Cl4 F12 N16 O30 P8 Pd4 S4 -","2","1","","Benito-Garagorri, David; Becker, Eva; Wiedermann, Julia; Lackner, Wolfgang; Pollak, Martin; Mereiter, Kurt; Kisala, Joanna; Kirchner, Karl","Achiral and Chiral Transition Metal Complexes with Modularly Designed Tridentate PNP Pincer-Type Ligands Based on N-Heterocyclic Diamines","Organometallics","2006","25","8","1900","","10.1021/om0600644","","","0.71073","MoKα","","0.078","0.0518","","","0.118","0.1369","","","","","","1.068","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075138","8.674","0.009","9.156","0.009","20.18","0.03","90","","90.3","0.04","90","","1603","3","113.1","","","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 -","- C22 H20 -","- C88 H80 -","4","1","","Obora, Yasushi; Kimura, Masahiro; Ohtake, Toshiyuki; Tokunaga, Makoto; Tsuji, Yasushi","Nickel-Catalyzed Cross-Coupling Reaction of Niobium(III)−Alkyne Complexes with Aryl Iodides","Organometallics","2006","25","8","2097","","10.1021/om060065w","","","0.7107","MoKα","","","0.047","","","","0.127","","","","","","0.95","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075139","22.045","0.006","18.27","0.005","20.12","0.005","90","0.0011","107.694","0.0013","90","0.0011","7720","4","173.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C66 H70 O13 P4 Ru2 -","- C66 H70 O13 P4 Ru2 -","- C264 H280 O52 P16 Ru8 -","4","1","","Tsunawaki, Fumiaki; Ura, Yasuyuki; Kondo, Teruyuki; Iwasa, Tomomichi; Harumashi, Tatsuro; Mitsudo, Take-aki","Formation of Binuclear Ruthenium(II) Aqua Complexes and a Mononuclear Ammonia Complex Bearing P−P−O Facial Tridentate Ligands and Oxametallacycle Moieties","Organometallics","2006","25","10","2547","","10.1021/om060066o","","","0.7107","MoKα","","","0.0724","","","","0.1391","","","","","","0.955","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075140","13.222","0.004","13.403","0.004","24.012","0.007","103.559","0.004","90.982","0.004","95.869","0.004","4111","2","213.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C71 H81 Cl3 O18 P4 Ru2 -","- C71 H81.01 Cl3 O18 P4 Ru2 -","- C142 H162.02 Cl6 O36 P8 Ru4 -","2","1","","Tsunawaki, Fumiaki; Ura, Yasuyuki; Kondo, Teruyuki; Iwasa, Tomomichi; Harumashi, Tatsuro; Mitsudo, Take-aki","Formation of Binuclear Ruthenium(II) Aqua Complexes and a Mononuclear Ammonia Complex Bearing P−P−O Facial Tridentate Ligands and Oxametallacycle Moieties","Organometallics","2006","25","10","2547","","10.1021/om060066o","","","0.7107","MoKα","","","0.0786","","","","0.2277","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075141","16.3423","0.0013","11.7192","0.0011","21.574","0.003","90","","109.319","0.005","90","","3899.2","0.7","163.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 Cl3 N O8 P2 Ru -","- C36 H42 Cl3 N O8 P2 Ru -","- C144 H168 Cl12 N4 O32 P8 Ru4 -","4","1","","Tsunawaki, Fumiaki; Ura, Yasuyuki; Kondo, Teruyuki; Iwasa, Tomomichi; Harumashi, Tatsuro; Mitsudo, Take-aki","Formation of Binuclear Ruthenium(II) Aqua Complexes and a Mononuclear Ammonia Complex Bearing P−P−O Facial Tridentate Ligands and Oxametallacycle Moieties","Organometallics","2006","25","10","2547","","10.1021/om060066o","","","0.71069","MoKα","","","0.0613","","","","0.0962","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075142","14.17","0.003","13.738","0.003","18.244","0.004","90","","110.26","0.03","90","","3331.8","1.4","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H39 Al Li Mo N3 O6 -","- C31 H39 Al Li Mo N3 O6 -","- C124 H156 Al4 Li4 Mo4 N12 O24 -","4","1","","García, Felipe; Hopkins, Alexander D.; Kowenicki, Richard A.; McPartlin, Mary; Rogers, Michael C.; Silvia, Jared S.; Wright, Dominic S.","Syntheses and Structure of Heterometallic Complexes Containing Tripodal Group 13 Ligands [RE(2-py)3]-(E = Al, In)†","Organometallics","2006","25","10","2561","","10.1021/om0600691","","","0.71073","MoKα","","0.0403","0.0321","","","0.0883","0.0924","","","","","","1.04","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075143","9.493","0.0019","22.857","0.005","22.727","0.005","90","","94.8","0.03","90","","4914","1.8","393","2","180","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H54 Al2 Ca N6 -","- C53 H54 Al2 Ca N6 -","- C212 H216 Al8 Ca4 N24 -","4","0.5","","García, Felipe; Hopkins, Alexander D.; Kowenicki, Richard A.; McPartlin, Mary; Rogers, Michael C.; Silvia, Jared S.; Wright, Dominic S.","Syntheses and Structure of Heterometallic Complexes Containing Tripodal Group 13 Ligands [RE(2-py)3]-(E = Al, In)†","Organometallics","2006","25","10","2561","","10.1021/om0600691","","","0.71073","MoKα","","0.0674","0.049","","","0.1211","0.1312","","","","","","1.024","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075144","8.5575","0.0017","9.2395","0.0018","12.713","0.003","84.73","0.03","70.83","0.03","65.04","0.03","859.5","0.4","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H15 Al Cl N3 Zn -","- C16 H15 Al Cl N3 Zn -","- C32 H30 Al2 Cl2 N6 Zn2 -","2","1","","García, Felipe; Hopkins, Alexander D.; Kowenicki, Richard A.; McPartlin, Mary; Rogers, Michael C.; Silvia, Jared S.; Wright, Dominic S.","Syntheses and Structure of Heterometallic Complexes Containing Tripodal Group 13 Ligands [RE(2-py)3]-(E = Al, In)†","Organometallics","2006","25","10","2561","","10.1021/om0600691","","","0.71073","MoKα","","0.0731","0.056","","","0.1257","0.1301","","","","","","1.147","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075145","8.7556","0.0018","15.522","0.003","17.899","0.004","74.98","0.03","89.87","0.03","84.23","0.03","2336.8","0.9","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H29 In Li N3 O -","- C23 H29 In Li N3 O -","- C92 H116 In4 Li4 N12 O4 -","4","2","","García, Felipe; Hopkins, Alexander D.; Kowenicki, Richard A.; McPartlin, Mary; Rogers, Michael C.; Silvia, Jared S.; Wright, Dominic S.","Syntheses and Structure of Heterometallic Complexes Containing Tripodal Group 13 Ligands [RE(2-py)3]-(E = Al, In)†","Organometallics","2006","25","10","2561","","10.1021/om0600691","","","0.71073","MoKα","","0.0732","0.0467","","","0.1198","0.1349","","","","","","1.05","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075146","17.895","0.004","17.909","0.004","10.1","0.002","90","","99.91","0.03","90","","3188.6","1.2","180","2","180","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H37 In Li Mo N3 O5 -","- C30 H37 In Li Mo N3 O5 -","- C120 H148 In4 Li4 Mo4 N12 O20 -","4","1","","García, Felipe; Hopkins, Alexander D.; Kowenicki, Richard A.; McPartlin, Mary; Rogers, Michael C.; Silvia, Jared S.; Wright, Dominic S.","Syntheses and Structure of Heterometallic Complexes Containing Tripodal Group 13 Ligands [RE(2-py)3]-(E = Al, In)†","Organometallics","2006","25","10","2561","","10.1021/om0600691","","","0.71073","MoKα","","0.0458","0.0315","","","0.0688","0.0731","","","","","","1.009","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075147","17.805","0.004","8.603","0.002","19.694","0.004","90","","108.07","0.0007","90","","2867.9","1.1","293.1","","","","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H35 Cl4 Ru2 S2 Sb -","- C22 H35 Cl4 Ru2 S2 Sb -","- C88 H140 Cl16 Ru8 S8 Sb4 -","4","1","","Amitsuka, Takahiko; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Mixed-Metal Sulfido Clusters Containing Noble Metals and Group 15 Metals. Stepwise Construction of Bimetallic and Trimetallic Ru2MS2(M = Sb, Bi), Ru2PdSbS2, and Ru2Pd2SbS2Cores","Organometallics","2006","25","12","3034","","10.1021/om060071s","","","0.7107","MoKα","","","0.032","","","","0.108","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075148","10.454","0.002","23.873","0.004","11.819","0.002","90","","97.8019","0.0007","90","","2922.3","0.9","293.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H35 Bi Cl4 Ru2 S2 -","- C22 H35 Bi Cl4 Ru2 S2 -","- C88 H140 Bi4 Cl16 Ru8 S8 -","4","1","","Amitsuka, Takahiko; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Mixed-Metal Sulfido Clusters Containing Noble Metals and Group 15 Metals. Stepwise Construction of Bimetallic and Trimetallic Ru2MS2(M = Sb, Bi), Ru2PdSbS2, and Ru2Pd2SbS2Cores","Organometallics","2006","25","12","3034","","10.1021/om060071s","","","0.7107","MoKα","","","0.028","","","","0.098","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075149","24.475","0.009","9.905","0.003","18.476","0.007","90","","90","","90","","4479","3","293.1","","","","","","","","","","","8","P n a 21","P 2c -2n","33","","","","- C40 H50 Cl4 P Pd Ru2 S2 Sb -","- C40 H48 Cl4 P Pd Ru2 S2 Sb -","- C160 H192 Cl16 P4 Pd4 Ru8 S8 Sb4 -","4","1","","Amitsuka, Takahiko; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Mixed-Metal Sulfido Clusters Containing Noble Metals and Group 15 Metals. Stepwise Construction of Bimetallic and Trimetallic Ru2MS2(M = Sb, Bi), Ru2PdSbS2, and Ru2Pd2SbS2Cores","Organometallics","2006","25","12","3034","","10.1021/om060071s","","","0.7107","MoKα","","","0.043","","","","0.14","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075150","25.4","0.03","12.198","0.012","38.82","0.04","90","","106.638","0.003","90","","11524","2","293.1","","","","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C58 H64 Cl3 P2 Pd2 Ru2 S2 Sb -","- C58 H64 Cl3 P2 Pd2 Ru2 S2 Sb -","- C464 H512 Cl24 P16 Pd16 Ru16 S16 Sb8 -","8","1","","Amitsuka, Takahiko; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Mixed-Metal Sulfido Clusters Containing Noble Metals and Group 15 Metals. Stepwise Construction of Bimetallic and Trimetallic Ru2MS2(M = Sb, Bi), Ru2PdSbS2, and Ru2Pd2SbS2Cores","Organometallics","2006","25","12","3034","","10.1021/om060071s","","","0.7107","MoKα","","","0.05","","","","0.159","","","","","","1.004","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075151","9.739","0.004","11.704","0.004","21.644","0.008","89.36","0.02","89","0.02","66.4","0.011","2260.4","1.5","293.1","","","","","","","","","","","9","P -1","-P 1","2","","","","- C42 H53 Cl3 O0.5 P Pd Ru2 S2 Sb -","- C42 H51.4 Cl3 O0.5 P Pd Ru2 S2 Sb -","- C84 H102.8 Cl6 O P2 Pd2 Ru4 S4 Sb2 -","2","1","","Amitsuka, Takahiko; Seino, Hidetake; Hidai, Masanobu; Mizobe, Yasushi","Mixed-Metal Sulfido Clusters Containing Noble Metals and Group 15 Metals. Stepwise Construction of Bimetallic and Trimetallic Ru2MS2(M = Sb, Bi), Ru2PdSbS2, and Ru2Pd2SbS2Cores","Organometallics","2006","25","12","3034","","10.1021/om060071s","","","0.7107","MoKα","","","0.035","","","","0.113","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075152","17.1751","0.0003","17.1751","0.0003","25.16","0.0007","90","","90","","90","","7421.8","0.3","150","2","150","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C22 H60 I La N2 Si6 -","- C22 H60 I La N2 Si6 -","- C176 H480 I8 La8 N16 Si48 -","8","1","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands","Organometallics","2006","25","12","2999","","10.1021/om060072k","","","0.71073","MoKα","","0.0492","0.0287","","","0.0484","0.0544","","","","","","1.085","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075153","9.6301","0.0009","12.0261","0.0005","17.3986","0.0019","94.617","0.008","94.943","0.013","109.325","0.006","1881.6","0.3","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H60 I La O3 Si6 -","- C24 H60 I La O3 Si6 -","- C48 H120 I2 La2 O6 Si12 -","2","1","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands","Organometallics","2006","25","12","2999","","10.1021/om060072k","","","0.71073","MoKα","","0.0273","0.0212","","","0.0488","0.0514","","","","","","1.066","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075154","9.9596","0.0003","11.8759","0.0004","16.6935","0.0006","95.403","0.001","92.415","0.001","103.775","0.001","1904.92","0.11","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H62 I La O3 Si6 -","- C24 H62 I La O3 Si6 -","- C48 H124 I2 La2 O6 Si12 -","2","1","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands","Organometallics","2006","25","12","2999","","10.1021/om060072k","","","0.71073","MoKα","","0.0477","0.0424","","","0.0867","0.0886","","","","","","1.229","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075155","27.3564","0.0006","27.3564","0.0006","9.1519","0.0004","90","","90","","90","","6849","0.4","120","2","120","2","","","","","","","","7","P 42/n :2","-P 4bc","86","","","","- C20 H53 I La N O2 Si5 -","- C20 H53 I La N O2 Si5 -","- C160 H424 I8 La8 N8 O16 Si40 -","8","1","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands","Organometallics","2006","25","12","2999","","10.1021/om060072k","","","0.6768","synchrotron","","0.056","0.0343","","","0.0741","0.0812","","","","","","1.045","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075156","10.2161","0.0006","12.1819","0.0019","20.4154","0.0017","76.075","0.01","84.62","0.007","67.142","0.006","2272.4","0.4","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C28 H68 I2 Li Nd O4 Si6 -","- C28 H68 I2 Li Nd O4 Si6 -","- C56 H136 I4 Li2 Nd2 O8 Si12 -","2","1","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands","Organometallics","2006","25","12","2999","","10.1021/om060072k","","","0.71073","MoKα","","0.0551","0.0301","","","0.0613","0.0684","","","","","","1.054","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075157","12.9819","0.0011","10.6242","0.001","32.828","0.002","90","","97.802","0.009","90","","4485.8","0.6","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H68 I2 Li Nd O4 Si6 -","- C28 H68 I2 Li Nd O4 Si6 -","- C112 H272 I8 Li4 Nd4 O16 Si24 -","4","1","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands","Organometallics","2006","25","12","2999","","10.1021/om060072k","","","0.71073","MoKα","","0.0612","0.046","","","0.1282","0.1396","","","","","","1.012","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075158","9.406","0.003","12.4259","0.0014","13.66","0.002","68.672","0.014","72.213","0.013","87.62","0.018","1411.8","0.6","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H76 I2 Nd2 O6 Si6 -","- C30 H76 I2 Nd2 O6 Si6 -","- C30 H76 I2 Nd2 O6 Si6 -","1","0.5","","Bowman, Lyndsey J.; Izod, Keith; Clegg, William; Harrington, Ross W.","Heteroleptic Complexes of Lanthanum(III) and Neodymium(III) with Oxygen- or Nitrogen-Functionalized Tris(triorganosilyl)methyl Ligands","Organometallics","2006","25","12","2999","","10.1021/om060072k","","","0.71073","MoKα","","0.0733","0.0522","","","0.1596","0.1757","","","","","","1.137","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075159","19.6366","0.0002","24.3191","0.0003","34.6941","0.0005","90","","90","","90","","16568","0.4","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C124 H254 Fe P6 Si24 -","- C124 H254 Fe P6 Si24 -","- C496 H1016 Fe4 P24 Si96 -","4","1","","Moser, Carmen; Nieger, Martin; Pietschnig, Rudolf","Synthesis of 1,1‘-Ferrocenylene-Bridged Bisdiphosphenes","Organometallics","2006","25","10","2667","","10.1021/om060073c","","","0.71073","MoKα","","0.139","0.0558","","","0.0902","0.1049","","","","","","0.849","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075160","9.792","0.002","8.358","0.0017","14.374","0.003","90","","99.83","0.03","90","","1159.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H30 O4 Os2 -","- C24 H30 O4 Os2 -","- C48 H60 O8 Os4 -","2","0.5","","Zhang, Jie; Huang, Kuo-Wei; Szalda, David J.; Bullock, R. Morris","Efficient Synthesis of the Os−Os Dimers [Cp(CO)2Os]2, [Cp*(CO)2Os]2, and [(iPr4C5H)(CO)2Os]2and Computational Studies on the Relative Stabilities of Their Geometrical Isomers","Organometallics","2006","25","9","2209","","10.1021/om060075x","","","1.54178","CuKα","","0.0542","0.0416","","","0.1001","0.1067","","","","","","1.063","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075161","24.9166","0.0002","7.1008","0.0001","22.5135","0.0002","90","","116.893","0.0004","90","","3552.49","0.07","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H22 Cl2 I N2 Rh -","- C14 H22 Cl2 I N2 Rh -","- C112 H176 Cl16 I8 N16 Rh8 -","8","2","","Herrmann, Wolfgang A.; Schütz, Jan; Frey, Guido D.; Herdtweck, Eberhardt","N-Heterocyclic Carbenes: Synthesis, Structures, and Electronic Ligand Properties†,‡","Organometallics","2006","25","10","2437","","10.1021/om0600801","","","0.71073","MoKα","","0.0495","0.0422","","","0.0605","0.0621","","","","","","1.273","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075162","11.5467","0.0001","12.0211","0.0001","13.7354","0.0001","90","","95.6384","0.0003","90","","1897.3","0.03","123","1","123","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H24 I N4 O2 Rh -","- C17 H24 I N4 O2 Rh -","- C68 H96 I4 N16 O8 Rh4 -","4","1","","Herrmann, Wolfgang A.; Schütz, Jan; Frey, Guido D.; Herdtweck, Eberhardt","N-Heterocyclic Carbenes: Synthesis, Structures, and Electronic Ligand Properties†,‡","Organometallics","2006","25","10","2437","","10.1021/om0600801","","","0.71073","MoKα","","0.0245","0.0225","","","0.0559","0.0569","","","","","","1.054","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075163","7.4133","0.0001","16.1728","0.0001","11.6507","0.0001","90","","95.7301","0.0004","90","","1389.87","0.02","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 I N4 Rh -","- C11 H18 I N4 Rh -","- C44 H72 I4 N16 Rh4 -","4","1","","Herrmann, Wolfgang A.; Schütz, Jan; Frey, Guido D.; Herdtweck, Eberhardt","N-Heterocyclic Carbenes: Synthesis, Structures, and Electronic Ligand Properties†,‡","Organometallics","2006","25","10","2437","","10.1021/om0600801","","","0.71073","MoKα","","0.0192","0.019","","","0.0478","0.0479","","","","","","1.218","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075164","29.051","0.0002","10.0355","0.0001","28.0782","0.0002","90","","92.2956","0.0002","90","","8179.39","0.11","173","1","173","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H26 I Ir N6 -","- C16 H26 I Ir N6 -","- C256 H416 I16 Ir16 N96 -","16","2","","Herrmann, Wolfgang A.; Schütz, Jan; Frey, Guido D.; Herdtweck, Eberhardt","N-Heterocyclic Carbenes: Synthesis, Structures, and Electronic Ligand Properties†,‡","Organometallics","2006","25","10","2437","","10.1021/om0600801","","","0.71073","MoKα","","0.0249","0.0235","","","0.057","0.0576","","","","","","1.144","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075165","7.3634","0.0002","16.0249","0.0004","11.7962","0.0003","90","","93.2966","0.001","90","","1389.62","0.06","123","1","123","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H19 I Ir N3 -","- C12 H19 I Ir N3 -","- C48 H76 I4 Ir4 N12 -","4","1","","Herrmann, Wolfgang A.; Schütz, Jan; Frey, Guido D.; Herdtweck, Eberhardt","N-Heterocyclic Carbenes: Synthesis, Structures, and Electronic Ligand Properties†,‡","Organometallics","2006","25","10","2437","","10.1021/om0600801","","","0.71073","MoKα","","0.0253","0.0231","","","0.062","0.0633","","","","","","1.056","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075166","11.1584","0.0004","11.1584","0.0004","10.1563","0.0005","90","","90","","120","","1095.14","0.08","133.2","","133.2","","","","","","","","","4","P 3 1 c","P 3 -2c","159","","","","- C25 H30 N Ta -","- C27 H30 N3 Ta3 -","- C54 H60 N6 Ta6 -","2","0.333333","","Anderson, Laura L.; Schmidt, Joseph A. R.; Arnold, John; Bergman, Robert G.","Neutral and Cationic Alkyl Tantalum Imido Complexes: Synthesis and Migratory Insertion Reactions.","Organometallics","2006","25","14","3394","3406","10.1021/om060081t","","","0.7107","MoKα","","0.0258","0.0239","","0.0315","0.0307","","","","","","","1.253","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075167","10.6093","0.0009","11.4181","0.0009","20.0274","0.0016","84.344","0.002","85.426","0.002","76.998","0.002","2348.2","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H32 B10 N O P -","- C17 H32 B10 N O P -","- C68 H128 B40 N4 O4 P4 -","4","2","","Wang, Hong; Chan, Hoi-Shan; Xie, Zuowei","Pentavalent vs Trivalent Phosphorus-Bridged Ligands. Synthesis and Structural Characterization of Unexpected Group 4 Metal Complexes Incorporating an Indenylide Unit, [σ:σ-iPr2NP(O)(C9H6)(C2B10H10)]M(NR2)2","Organometallics","2006","25","10","2569","","10.1021/om060082l","","","0.71073","MoKα","","0.1906","0.0926","","","0.2368","0.2866","","","","","","0.955","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075168","15.5538","0.0006","15.3753","0.0006","28.002","0.0011","90","","90","","90","","6696.5","0.5","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H49 B10 N4 O P Ti -","- C23 H49 B10 N4 O P Ti -","- C184 H392 B80 N32 O8 P8 Ti8 -","8","1","","Wang, Hong; Chan, Hoi-Shan; Xie, Zuowei","Pentavalent vs Trivalent Phosphorus-Bridged Ligands. Synthesis and Structural Characterization of Unexpected Group 4 Metal Complexes Incorporating an Indenylide Unit, [σ:σ-iPr2NP(O)(C9H6)(C2B10H10)]M(NR2)2","Organometallics","2006","25","10","2569","","10.1021/om060082l","","","0.71073","MoKα","","0.0929","0.0551","","","0.1532","0.1834","","","","","","1.062","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075169","15.7404","0.0008","15.3928","0.0007","27.9697","0.0013","90","","90","","90","","6776.7","0.6","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H49 B10 N4 O P Zr -","- C23 H49 B10 N4 O P Zr -","- C184 H392 B80 N32 O8 P8 Zr8 -","8","1","","Wang, Hong; Chan, Hoi-Shan; Xie, Zuowei","Pentavalent vs Trivalent Phosphorus-Bridged Ligands. Synthesis and Structural Characterization of Unexpected Group 4 Metal Complexes Incorporating an Indenylide Unit, [σ:σ-iPr2NP(O)(C9H6)(C2B10H10)]M(NR2)2","Organometallics","2006","25","10","2569","","10.1021/om060082l","","","0.71073","MoKα","","0.1525","0.0909","","","0.2156","0.2785","","","","","","1.096","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075170","11.275","0.002","21.105","0.004","18.833","0.004","90","","93.21","0.03","90","","4474.4","1.5","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H66 B10 Hf N3 O2 P -","- C36 H66 B10 Hf N3 O2 P -","- C144 H264 B40 Hf4 N12 O8 P4 -","4","1","","Wang, Hong; Chan, Hoi-Shan; Xie, Zuowei","Pentavalent vs Trivalent Phosphorus-Bridged Ligands. Synthesis and Structural Characterization of Unexpected Group 4 Metal Complexes Incorporating an Indenylide Unit, [σ:σ-iPr2NP(O)(C9H6)(C2B10H10)]M(NR2)2","Organometallics","2006","25","10","2569","","10.1021/om060082l","","","0.71073","MoKα","","0.1429","0.0497","","","0.1164","0.1451","","","","","","0.942","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075171","17.362","0.001","17.266","0.001","25.304","0.0015","90","","91.72","0.004","90","","7582","0.8","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C64 H112 Na2 O18 S8 U -","- C64 H112 Na2 O18 S8 U -","- C256 H448 Na8 O72 S32 U4 -","4","0.5","","Belkhiri, Lotfi; Arliguie, Thérèse; Thuéry, Pierre; Fourmigué, Marc; Boucekkine, Abdou; Ephritikhine, Michel","Investigation of the Dithiolene Ligand Conformation in Analogous U(IV)/U(V) Complexes: X-ray Diffraction and Density Functional Theory Analysis of the U···(CC) Interaction","Organometallics","2006","25","11","2782","","10.1021/om060083d","","","0.71073","MoKα","","0.0688","0.0473","","","0.1043","0.1156","","","","","","0.959","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075172","10.8165","0.0005","17.403","0.0006","13.4365","0.0008","90","","90.181","0.003","90","","2529.3","0.2","120","1","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H31 Cl3 N2 Ru -","- C25 H31 Cl3 N2 Ru -","- C100 H124 Cl12 N8 Ru4 -","4","1","","Cariou, Renan; Fischmeister, Cédric; Toupet, Loïc; Dixneuf, Pierre H.","A Bidentate NHC−Alkenyl Ruthenium(II) Complex via Vinyl C−H Bond Activation","Organometallics","2006","25","9","2126","","10.1021/om060087i","","","0.71069","MoKα","","0.0754","0.0592","","","0.1552","0.1708","","","","","","1.083","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075173","25.974","0.004","16.195","0.003","18.151","0.003","90","","115.82","0.03","90","","6873","3","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C36 H50 Ge N2 O Se -","- C36 H50 Ge N2 O Se -","- C288 H400 Ge8 N16 O8 Se8 -","8","1","","Pineda, Leslie W.; Jancik, Vojtech; Oswald, Rainer B.; Roesky, Herbert W.","Preparation of LGe(Se)OH: A Germanium Analogue of a Selenocarboxylic Acid (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)","Organometallics","2006","25","9","2384","","10.1021/om060088a","","","1.54178","CuKα","","0.0238","0.0225","","","0.0608","0.062","","","","","","1.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075174","16.004","0.001","9.874","0.001","20.379","0.001","90","","96.42","0.01","90","","3200.2","0.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H42 Fe Ge N2 O5 -","- C33 H42 Fe Ge N2 O5 -","- C132 H168 Fe4 Ge4 N8 O20 -","4","1","","Pineda, Leslie W.; Jancik, Vojtech; Colunga-Valladares, Juan F.; Roesky, Herbert W.; Hofmeister, Anja; Magull, Jörg","Lewis Base Character of Hydroxygermylenes for the Preparation of Heterobimetallic LGe(OH)M Systems (M = Fe, Mn, L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)","Organometallics","2006","25","9","2381","","10.1021/om0600893","","","0.71073","MoKα","","0.0501","0.032","","","0.0614","0.0643","","","","","","0.999","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075175","10.705","0.001","20.487","0.001","15.16","0.001","90","","98.02","0.01","90","","3292.3","0.4","133","2","133","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H47 Ge Mn N2 O3 -","- C36 H47 Ge Mn N2 O3 -","- C144 H188 Ge4 Mn4 N8 O12 -","4","1","","Pineda, Leslie W.; Jancik, Vojtech; Colunga-Valladares, Juan F.; Roesky, Herbert W.; Hofmeister, Anja; Magull, Jörg","Lewis Base Character of Hydroxygermylenes for the Preparation of Heterobimetallic LGe(OH)M Systems (M = Fe, Mn, L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)","Organometallics","2006","25","9","2381","","10.1021/om0600893","","","0.71073","MoKα","","0.061","0.0304","","","0.0587","0.0632","","","","","","0.806","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075176","10.386","0.002","13.784","0.003","10.202","0.002","90","","100.111","0.005","90","","1437.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 F N2 Pt -","- C17 H15 F N2 Pt -","- C68 H60 F4 N8 Pt4 -","4","1","","Karshtedt, Dmitry; McBee, Jennifer L.; Bell, Alexis T.; Tilley, T. Don","Stoichiometric and Catalytic Arene Activations by Platinum Complexes Containing Bidentate Monoanionic Nitrogen-Based Ligands","Organometallics","2006","25","7","1801","","10.1021/om0600902","","","0.775","synchrotron","","0.0357","0.0301","","","0.0743","0.0765","","","","","","1.107","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075177","10.295","0.002","26.794","0.006","12.618","0.003","90","","93.41","0.003","90","","3474.4","1.3","133.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 N3 Pt -","- C21 H17 N3 Pt -","- C168 H136 N24 Pt8 -","8","2","","Karshtedt, Dmitry; McBee, Jennifer L.; Bell, Alexis T.; Tilley, T. Don","Stoichiometric and Catalytic Arene Activations by Platinum Complexes Containing Bidentate Monoanionic Nitrogen-Based Ligands","Organometallics","2006","25","7","1801","","10.1021/om0600902","","","0.7107","MoKα","","0.0624","0.0383","","0.0474","","0.0422","","","","","","1.368","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075178","20.614","0.003","15.956","0.002","9.241","0.001","90","","101.447","0.001","90","","2979.1","0.7","138.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H14 Cl3 N2 Pt -","- C15.5 H13 Cl2 N2 Pt -","- C124 H104 Cl16 N16 Pt8 -","8","1","","Karshtedt, Dmitry; McBee, Jennifer L.; Bell, Alexis T.; Tilley, T. Don","Stoichiometric and Catalytic Arene Activations by Platinum Complexes Containing Bidentate Monoanionic Nitrogen-Based Ligands","Organometallics","2006","25","7","1801","","10.1021/om0600902","","","0.7107","MoKα","","","0.0316","","","","0.0371","","","","","","1.228","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075179","9.5564","0.0004","10.2328","0.0004","18.3284","0.0007","99.718","0.003","103.196","0.003","90.296","0.003","1718.16","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H39 Cl2 N3 Ru -","- C37 H39 Cl2 N3 Ru -","- C74 H78 Cl4 N6 Ru2 -","2","1","","Barbasiewicz, Michał; Szadkowska, Anna; Bujok, Robert; Grela, Karol","Structure and Activity Peculiarities of Ruthenium Quinoline and Quinoxaline Complexes: Novel Metathesis Catalysts","Organometallics","2006","25","15","3599","","10.1021/om060091u","","","0.71073","MoKα","","0.0631","0.0434","","","0.1076","0.129","","","","","","1.094","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075180","28.1947","0.0002","17.6289","0.0006","16.2675","0.0009","90","","123.864","0.002","90","","6714","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C31 H33 Cl2 N3 Ru -","- C31 H33 Cl2 N3 Ru -","- C248 H264 Cl16 N24 Ru8 -","8","1","","Barbasiewicz, Michał; Szadkowska, Anna; Bujok, Robert; Grela, Karol","Structure and Activity Peculiarities of Ruthenium Quinoline and Quinoxaline Complexes: Novel Metathesis Catalysts","Organometallics","2006","25","15","3599","","10.1021/om060091u","","","0.71073","MoKα","","0.0496","0.0364","","","0.0908","0.0942","","","","","","1","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075181","13.1935","0.0002","21.1046","0.0003","15.6878","0.0003","90","","90.9546","0.0008","90","","4367.56","0.12","150","","150","","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","[Ti(tBu)(Me3[9]aneN3)Cl(py)][B(ArF)4]","","- C42 H35 B Cl F20 N5 Ti -","- C42 H35 B Cl F20 N5 Ti -","- C168 H140 B4 Cl4 F80 N20 Ti4 -","4","1","","Bolton, Paul D.; Clot, Eric; Adams, Nico; Dubberley, Stuart R.; Cowley, Andrew R.; Mountford, Philip","Experimental and DFT Studies of Cationic Imido Titanium Alkyls: Agostic Interactions and C−H Bond and Solvent Activation Reactions of Isolobal Analogues of Group 4 Metallocenium Cations","Organometallics","2006","25","11","2806","","10.1021/om060096r","","","0.71073","MoKα","","","0.058","","","","0.068","","","","","","1.0386","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075182","13.8835","0.0002","18.8229","0.0003","24.528","0.0005","90","","90","","90","","6409.85","0.19","150","","150","","","","","","","","?","6","P b c a","-P 2ac 2ab","61","","[PhNMe2(CH2Cl)][B(ArF)4]","","- C33 H13 B Cl F20 N -","- C33 H13 B Cl F20 N -","- C264 H104 B8 Cl8 F160 N8 -","8","1","","Bolton, Paul D.; Clot, Eric; Adams, Nico; Dubberley, Stuart R.; Cowley, Andrew R.; Mountford, Philip","Experimental and DFT Studies of Cationic Imido Titanium Alkyls: Agostic Interactions and C−H Bond and Solvent Activation Reactions of Isolobal Analogues of Group 4 Metallocenium Cations","Organometallics","2006","25","11","2806","","10.1021/om060096r","","","0.71073","MoKα","","","0.0372","","","","0.0396","","","","","","1.0698","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4075183","10.6567","0.0001","11.3869","0.0001","15.1128","0.0001","90","","90","","90","","1833.89","0.03","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 Cl N2 Rh -","- C19 H30 Cl N2 Rh -","- C76 H120 Cl4 N8 Rh4 -","4","1","","Herrmann, Wolfgang A.; Baskakov, Denys; Herdtweck, Eberhardt; Hoffmann, Stephan D.; Bunlaksananusorn, Tanasri; Rampf, Florian; Rodefeld, Lars","Chiral N-Heterocyclic Carbene Ligands Derived from 2,2‘-Bipiperidine and Partially Reduced Biisoquinoline: Rhodium and Iridium Complexes in Asymmetric Catalysis†","Organometallics","2006","25","10","2449","","10.1021/om060098b","","","0.71073","MoKα","","0.0161","0.0157","","","0.0381","0.0383","","","","","","1.082","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075184","9.3294","0.0001","10.0515","0.0002","12.3944","0.0002","90","","110.103","0.0007","90","","1091.47","0.03","123","1","123","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H37 N2 O P S -","- C20 H37 N2 O P S -","- C40 H74 N4 O2 P2 S2 -","2","1","","Herrmann, Wolfgang A.; Baskakov, Denys; Herdtweck, Eberhardt; Hoffmann, Stephan D.; Bunlaksananusorn, Tanasri; Rampf, Florian; Rodefeld, Lars","Chiral N-Heterocyclic Carbene Ligands Derived from 2,2‘-Bipiperidine and Partially Reduced Biisoquinoline: Rhodium and Iridium Complexes in Asymmetric Catalysis†","Organometallics","2006","25","10","2449","","10.1021/om060098b","","","0.71073","MoKα","","0.0394","0.0375","","","0.0978","0.0991","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075185","7.8469","0.0001","14.3361","0.0001","19.9183","0.0001","90","","90","","90","","2240.69","0.03","173","1","173","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl Ir N2 -","- C27 H30 Cl Ir N2 -","- C108 H120 Cl4 Ir4 N8 -","4","1","","Herrmann, Wolfgang A.; Baskakov, Denys; Herdtweck, Eberhardt; Hoffmann, Stephan D.; Bunlaksananusorn, Tanasri; Rampf, Florian; Rodefeld, Lars","Chiral N-Heterocyclic Carbene Ligands Derived from 2,2‘-Bipiperidine and Partially Reduced Biisoquinoline: Rhodium and Iridium Complexes in Asymmetric Catalysis†","Organometallics","2006","25","10","2449","","10.1021/om060098b","","","0.71073","MoKα","","0.0326","0.0319","","","0.0646","0.0652","","","","","","1.204","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075186","10.086","0.003","10.642","0.003","11.511","0.003","74.631","0.009","87.934","0.011","76.153","0.009","1156.2","0.6","173.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 O2 Si W -","- C24 H28 O2 Si W -","- C48 H56 O4 Si2 W2 -","2","1","","Sakaba, Hiroyuki; Hirata, Takeshi; Kabuto, Chizuko; Kabuto, Kuninobu","Synthesis, Structure, and Dynamic Behavior of Tungsten Dihydride Silyl Complexes Cp*(CO)2W(H)2(SiHPhR) (R = Ph, H, Cl)","Organometallics","2006","25","21","5145","","10.1021/om060101r","","","0.7107","MoKα","","","0.0207","","","","0.058","","","","","","1.027","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075187","8.5362","0.0018","15.006","0.003","14.409","0.003","90","","91.597","0.004","90","","1845","0.7","173.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 O2 Si W -","- C18 H24 O2 Si W -","- C72 H96 O8 Si4 W4 -","4","1","","Sakaba, Hiroyuki; Hirata, Takeshi; Kabuto, Chizuko; Kabuto, Kuninobu","Synthesis, Structure, and Dynamic Behavior of Tungsten Dihydride Silyl Complexes Cp*(CO)2W(H)2(SiHPhR) (R = Ph, H, Cl)","Organometallics","2006","25","21","5145","","10.1021/om060101r","","","0.7107","MoKα","","","0.0244","","","","0.067","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075188","25.3036","0.0011","10.6197","0.0005","16.9923","0.0007","90","","114.6","0.001","90","","4151.7","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H64 Mo2 O4 P2 Pt2 -","- C38 H64 Mo2 O4 P2 Pt2 -","- C152 H256 Mo8 O16 P8 Pt8 -","4","0.5","","Adams, Richard D.; Hollandsworth, Carl B.; Smith, Jack L.","Unsaturated Cyclopentadienyl-Molybdenum and Tungsten Carbonyl Cluster Complexes Containing Pd- and Pt(PBut3) Groups","Organometallics","2006","25","10","2673","","10.1021/om060107g","","","0.71073","MoKα","","0.0237","0.0198","","","0.0482","0.0497","","","","","","1.065","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075189","24.2769","0.0011","10.9943","0.0005","17.3532","0.0008","90","","116.902","0.001","90","","4130.5","0.3","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H64 Mo2 O4 P2 Pd2 -","- C38 H64 Mo2 O4 P2 Pd2 -","- C152 H256 Mo8 O16 P8 Pd8 -","4","0.5","","Adams, Richard D.; Hollandsworth, Carl B.; Smith, Jack L.","Unsaturated Cyclopentadienyl-Molybdenum and Tungsten Carbonyl Cluster Complexes Containing Pd- and Pt(PBut3) Groups","Organometallics","2006","25","10","2673","","10.1021/om060107g","","","0.71073","MoKα","","0.0267","0.0234","","","0.0601","0.0627","","","","","","1.07","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075190","24.0266","0.0012","11.1043","0.0006","17.6952","0.0009","90","","118.51","0.001","90","","4148.5","0.4","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H64 O4 P2 Pt2 W2 -","- C38 H64 O4 P2 Pt2 W2 -","- C152 H256 O16 P8 Pt8 W8 -","4","0.5","","Adams, Richard D.; Hollandsworth, Carl B.; Smith, Jack L.","Unsaturated Cyclopentadienyl-Molybdenum and Tungsten Carbonyl Cluster Complexes Containing Pd- and Pt(PBut3) Groups","Organometallics","2006","25","10","2673","","10.1021/om060107g","","","0.71073","MoKα","","0.0533","0.049","","","0.1274","0.1325","","","","","","1.036","","","","has coordinates,has disorder","178640","2020-10-21","18:00:00",""
"4075191","23.96","0.005","11.018","0.003","17.221","0.004","90","","115.926","0.004","90","","4088.7","1.7","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H64 O4 P2 Pd2 W2 -","- C38 H64 O4 P2 Pd2 W2 -","- C152 H256 O16 P8 Pd8 W8 -","4","0.5","","Adams, Richard D.; Hollandsworth, Carl B.; Smith, Jack L.","Unsaturated Cyclopentadienyl-Molybdenum and Tungsten Carbonyl Cluster Complexes Containing Pd- and Pt(PBut3) Groups","Organometallics","2006","25","10","2673","","10.1021/om060107g","","","0.71073","MoKα","","0.0254","0.0224","","","0.0547","0.0566","","","","","","1.04","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075192","13.181","0.004","17.03","0.005","24.82","0.008","90","","90","","90","","5571","3","125","2","125","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H29 Cl2 Cr N P2 -","- C28 H29 Cl2 Cr N P2 -","- C224 H232 Cl16 Cr8 N8 P16 -","8","1","","McGuinness, David S.; Brown, David B.; Tooze, Robert P.; Hess, Fiona M.; Dixon, John T.; Slawin, Alexandra M. Z.","Ethylene Trimerization with Cr−PNP and Cr−SNS Complexes: Effect of Ligand Structure, Metal Oxidation State, and Role of Activator on Catalysis","Organometallics","2006","25","15","3605","","10.1021/om0601091","","","0.71073","MoKα","","0.1185","0.06","","","0.1128","0.1366","","","","","","1.031","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075193","8.291","0.002","9.907","0.003","11.42","0.003","88.901","0.005","70.838","0.005","68.979","0.005","821.9","0.4","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H52 Cl2 Cr2 N2 S4 -","- C24 H52 Cl2 Cr2 N2 S4 -","- C24 H52 Cl2 Cr2 N2 S4 -","1","0.5","","McGuinness, David S.; Brown, David B.; Tooze, Robert P.; Hess, Fiona M.; Dixon, John T.; Slawin, Alexandra M. Z.","Ethylene Trimerization with Cr−PNP and Cr−SNS Complexes: Effect of Ligand Structure, Metal Oxidation State, and Role of Activator on Catalysis","Organometallics","2006","25","15","3605","","10.1021/om0601091","","","0.71073","MoKα","","0.067","0.0395","","","0.0826","0.0902","","","","","","0.936","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075194","36.954","0.004","10.2303","0.0012","19.885","0.002","90","","117.807","0.002","90","","6649.4","1.3","125","2","125","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H32 Cl4 Cr Li O4 -","- C16 H32 Cl4 Cr Li O4 -","- C192 H384 Cl48 Cr12 Li12 O48 -","12","1.5","","McGuinness, David S.; Brown, David B.; Tooze, Robert P.; Hess, Fiona M.; Dixon, John T.; Slawin, Alexandra M. Z.","Ethylene Trimerization with Cr−PNP and Cr−SNS Complexes: Effect of Ligand Structure, Metal Oxidation State, and Role of Activator on Catalysis","Organometallics","2006","25","15","3605","","10.1021/om0601091","","","0.71073","MoKα","","0.0856","0.0441","","","0.0917","0.1089","","","","","","1.024","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075195","11.749","0.002","20.215","0.004","9.792","0.002","90","","90","","90","","2325.7","0.8","173","2","173","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H24 Cl6 Nb2 S3 -","- C12 H24 Cl6 Nb2 S3 -","- C48 H96 Cl24 Nb8 S12 -","4","0.5","","Kakeya, Masaki; Fujihara, Takashi; Kasaya, Takashi; Nagasawa, Akira","Dinuclear Niobium(III) Complexes [{NbCl2(L)}2(μ-Cl)2(μ-L)] (L = tetrahydrothiophene, dimethyl sulfide): Preparation, Molecular Structures, and the Catalytic Activity for the Regioselective Cyclotrimerization of Alkynes","Organometallics","2006","25","17","4131","","10.1021/om0601100","","","0.71073","MoKα","","0.0626","0.0456","","","0.0906","0.0964","","","","","","1.013","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075196","16.9094","0.0004","9.8757","0.0002","21.4777","0.0004","90","","110.249","0.001","90","","3364.95","0.12","150","2","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42.5 H35 Cl O W -","- C42.5 H35 Cl O W -","- C170 H140 Cl4 O4 W4 -","4","1","","Choi, Hojae; Chen, Weichun; Aistars, Arnis; Lough, Alan J.; Sheridan, John B.","Bis(alkyne)cycloheptadienyl and Bis(alkyne)σ,η3-cycloheptenediyl Complexes of Tungsten","Organometallics","2006","25","10","2574","","10.1021/om060111s","","","0.71073","MoKα","","0.0713","0.0385","","","0.0667","0.0748","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075197","10.051","0.003","15.141","0.004","20.97","0.006","109.043","0.004","100.239","0.004","98.645","0.004","2893.2","1.4","215","2","215","2","","","","","","","","3","P -1","-P 1","2","","NOTE: This is compound 1","","- C30 H42 Ge2 -","- C30 H42 Ge2 -","- C120 H168 Ge8 -","4","2","","Subashi, Esla; Rheingold, Arnold L.; Weinert, Charles S.","Preparation of Oligogermanes via the Hydrogermolysis Reaction","Organometallics","2006","25","13","3211","","10.1021/om060115x","","","0.71073","MoKα","","0.0832","0.0485","","","0.1199","0.14","","","","","","1.004","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075198","15.5325","0.0013","15.5325","0.0013","16.275","0.003","90","","90","","120","","3400.4","0.7","213","2","213","2","","","","","","","","3","R -3 :H","-R 3","148","","NOTE: This is compund 2","","- C24 H27 Ge2 -","- C24 H27 Ge2 -","- C144 H162 Ge12 -","6","0.333333","","Subashi, Esla; Rheingold, Arnold L.; Weinert, Charles S.","Preparation of Oligogermanes via the Hydrogermolysis Reaction","Organometallics","2006","25","13","3211","","10.1021/om060115x","","","0.71073","MoKα","","0.0377","0.0333","","","0.0932","0.0955","","","","","","1.227","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075199","11.8171","0.0002","13.1286","0.0002","14.4153","0.0002","72.813","0.001","70.439","0.001","75.367","0.001","1983.68","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H56 Cl Li N2 Si2 Yb -","- C38 H56 Cl Li N2 Si2 Yb -","- C76 H112 Cl2 Li2 N4 Si4 Yb2 -","2","1","","Wang, Shaowu; Tang, Xinliang; Vega, Andres; Saillard, Jean-Yves; Sheng, Enhong; Yang, Gaosheng; Zhou, Shuangliu; Huang, Zixiang","Experimental and Theoretical Evidence for the First Example of an Organolanthanide(II) Compound Having an Indenyl Ligand Bonded to the Metal through the Benzo Ring in η4Hapticity","Organometallics","2006","25","10","2399","","10.1021/om0601192","","","0.71073","MoKα","","0.0514","0.0426","","","0.0955","0.1034","","","","","","1.103","","","","has coordinates","178640","2020-10-21","18:00:00",""
"4075200","22.1371","0.0005","13.9116","0.0001","16.2626","0.0004","90","","90","","90","","5008.27","0.17","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C30 H30 K2 O -","- C30 H30 K2 O -","- C240 H240 K16 O8 -","8","0.5","","Schumann, Herbert; Freckmann, Dominique M. M.; Dechert, Sebastian","Organometallic Compounds of the Lanthanides. 179.1Synthesis and Structural Characterization of a Mixed Alkyl (Benzhydryl, Trimethylsilylmethyl) Lutetium Complex","Organometallics","2006","25","10","2696","","10.1021/om0601201","","","0.71073","MoKα","","0.1104","0.0635","","","0.0989","0.1122","","","","","","1.083","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075201","16.7997","0.0003","10.773","0.0002","19.5836","0.0001","90","","112.997","0.001","90","","3262.62","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H49 Lu O2 Si2 -","- C29 H49 Lu O2 Si2 -","- C116 H196 Lu4 O8 Si8 -","4","1","","Schumann, Herbert; Freckmann, Dominique M. M.; Dechert, Sebastian","Organometallic Compounds of the Lanthanides. 179.1Synthesis and Structural Characterization of a Mixed Alkyl (Benzhydryl, Trimethylsilylmethyl) Lutetium Complex","Organometallics","2006","25","10","2696","","10.1021/om0601201","","","0.71073","MoKα","","0.0585","0.0365","","","0.0709","0.0786","","","","","","1.003","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075202","10.27233","0.0001","17.92498","0.00009","29.46355","0.00019","90","","90","","90","","5425.16","0.07","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C47 H27 Cl F24 O P2 Pd -","- C47 H27 Cl F24 O P2 Pd -","- C188 H108 Cl4 F96 O4 P8 Pd4 -","4","1","","Guiu, Ester; Caporali, Maria; Muñoz, Bianca; Müller, Christian; Lutz, Martin; Spek, Anthony L.; Claver, Carmen; van Leeuwen, Piet W. N. M.","Electronic Effect of Diphosphines on the Regioselectivity of the Palladium-Catalyzed Hydroesterification of Styrene","Organometallics","2006","25","13","3102","","10.1021/om060121t","","","0.71073","MoKα","","0.0297","0.0253","","","0.0616","0.0635","","","","","","1.067","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075203","11.5563","0.0006","12.7164","0.0007","15.1804","0.0009","109.367","0.003","90.463","0.003","97.224","0.003","2084.9","0.2","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H38 B7 Co2 N O5 P2 -","- C42 H38 B7 Co2 N O5 P2 -","- C84 H76 B14 Co4 N2 O10 P4 -","2","1","","Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane Anions Containing Multiple Metal Centers","Organometallics","2006","25","10","2590","","10.1021/om060123d","","","0.71073","MoKα","","0.0517","0.0334","","","0.085","0.091","","","","","","1.054","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075204","11.4458","0.0003","13.9304","0.0005","14.3501","0.0005","73.497","0.002","89.679","0.002","79.609","0.002","2155.28","0.12","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H40 B9 Co2 N O5 P2 -","- C42 H40 B9 Co2 N O5 P2 -","- C84 H80 B18 Co4 N2 O10 P4 -","2","1","","Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane Anions Containing Multiple Metal Centers","Organometallics","2006","25","10","2590","","10.1021/om060123d","","","0.71073","MoKα","","0.0421","0.0315","","","0.0857","0.0897","","","","","","1.062","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075205","16.335","0.008","10.146","0.004","28.834","0.013","90","","105.856","0.01","90","","4597","4","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C45 H38 B8 Co3 N O8 P2 -","- C45 H38 B8 Co3 N O8 P2 -","- C180 H152 B32 Co12 N4 O32 P8 -","4","1","","Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane Anions Containing Multiple Metal Centers","Organometallics","2006","25","10","2590","","10.1021/om060123d","","","0.71073","MoKα","","0.0776","0.0436","","","0.0898","0.1044","","","","","","1.012","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075206","13.883","0.0008","14.5367","0.0007","17.2427","0.0008","90","","90","","90","","3479.8","0.3","110","2","110","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C10 H15 B7 Co2 O6 -","- C10 H15 B7 Co2 O6 -","- C80 H120 B56 Co16 O48 -","8","1","","Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane Anions Containing Multiple Metal Centers","Organometallics","2006","25","10","2590","","10.1021/om060123d","","","0.71073","MoKα","","0.1133","0.0784","","","0.2005","0.225","","","","","","1.06","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075207","7.705","0.0002","9.228","0.0002","13.9476","0.0003","94.902","0.001","90.281","0.001","100.842","0.001","970.21","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C10.5 H18 B9 Cl Co2 O6 -","- C10.5 H18 B9 Cl Co2 O6 -","- C21 H36 B18 Cl2 Co4 O12 -","2","1","","Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane Anions Containing Multiple Metal Centers","Organometallics","2006","25","10","2590","","10.1021/om060123d","","","0.71073","MoKα","","0.0304","0.0256","","","0.06","0.0628","","","","","","1.052","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075208","13.317","0.005","17.027","0.006","21.905","0.008","90","","91.534","0.01","90","","4965","3","110","2","110","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H38 B8 Co3 Cu O7 P2 -","- C48 H38 B8 Co3 Cu O7 P2 -","- C192 H152 B32 Co12 Cu4 O28 P8 -","4","1","","Lu, Xiu Lian; McGrath, Thomas D.; Stone, F. Gordon A.","Synthesis and Reactivity of 10- and 12-Vertex Cobalt−Monocarborane Anions Containing Multiple Metal Centers","Organometallics","2006","25","10","2590","","10.1021/om060123d","","","0.71073","MoKα","","0.0686","0.0411","","","0.0896","0.1019","","","","","","1.023","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075209","24.04","0.008","7.67","0.002","11.429","0.004","90","","118.387","0.006","90","","1854","1","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C17 H11 F3 N2 O5 Pd S -","- C17 H11 F3 N2 O5 Pd S -","- C68 H44 F12 N8 O20 Pd4 S4 -","4","1","","Yoon, Myeong Sik; Ryu, Dowook; Kim, Jeongryul; Ahn, Kyo Han","Palladium Pincer Complexes with Reduced Bond Angle Strain: Efficient Catalysts for the Heck Reaction","Organometallics","2006","25","10","2409","","10.1021/om0601246","","","0.71073","MoKα","","0.0678","0.0476","","","0.1385","0.1499","","","","","","0.965","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075210","10.2351","0.0014","10.9324","0.0015","10.9999","0.0015","114.942","0.002","100.506","0.002","103.881","0.002","1025.7","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H29 B10 N -","- C15 H29 B10 N -","- C30 H58 B20 N2 -","2","1","","Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei","Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands","Organometallics","2006","25","10","2578","","10.1021/om060125y","","","0.71073","MoKα","","0.0958","0.0665","","","0.1713","0.1905","","","","","","0.982","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075211","7.7747","0.0012","18.751","0.003","11.8701","0.0018","90","","96.696","0.003","90","","1718.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 B10 N -","- C11 H21 B10 N -","- C44 H84 B40 N4 -","4","1","","Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei","Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands","Organometallics","2006","25","10","2578","","10.1021/om060125y","","","0.71073","MoKα","","0.1244","0.0579","","","0.1238","0.142","","","","","","0.826","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075212","7.0813","0.0012","10.5025","0.0017","27.287","0.005","90","","96.513","0.003","90","","2016.3","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H30 B9 N -","- C15 H28.7 B9 N -","- C60 H114.8 B36 N4 -","4","1","","Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei","Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands","Organometallics","2006","25","10","2578","","10.1021/om060125y","","","0.71073","MoKα","","0.1638","0.0911","","","0.2188","0.2606","","","","","","0.983","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075213","16.1284","0.0016","13.2047","0.0013","12.6393","0.0013","90","","91.333","0.002","90","","2691.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H40 B9 N3 Ti -","- C19 H40 B9 N3 Ti -","- C76 H160 B36 N12 Ti4 -","4","1","","Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei","Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands","Organometallics","2006","25","10","2578","","10.1021/om060125y","","","0.71073","MoKα","","0.0791","0.0527","","","0.1198","0.1419","","","","","","0.982","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075214","10.2187","0.0015","10.6785","0.0016","12.6567","0.0019","106.781","0.003","91.443","0.003","103.302","0.003","1280.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18.5 H36 B9 N3 Ti -","- C18.5 H35.5 B9 N3 Ti -","- C37 H71 B18 N6 Ti2 -","2","1","","Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei","Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands","Organometallics","2006","25","10","2578","","10.1021/om060125y","","","0.71073","MoKα","","0.1342","0.1166","","","0.3277","0.3441","","","","","","1.436","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075215","10.004","0.002","17.188","0.003","18.834","0.004","90","","98.64","0.03","90","","3201.7","1.1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H52 B9 N4 O Zr -","- C23 H52 B9 N4 O Zr -","- C92 H208 B36 N16 O4 Zr4 -","4","1","","Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei","Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands","Organometallics","2006","25","10","2578","","10.1021/om060125y","","","0.71073","MoKα","","0.0929","0.0519","","","0.1364","0.1576","","","","","","1.035","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075216","10.165","0.002","17.424","0.004","20.25","0.004","90","","111","0.03","90","","3348.4","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H52 B9 Hf N4 O -","- C23 H52 B9 Hf N4 O -","- C92 H208 B36 Hf4 N16 O4 -","4","1","","Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei","Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands","Organometallics","2006","25","10","2578","","10.1021/om060125y","","","0.71073","MoKα","","0.0567","0.0547","","","0.1487","0.1521","","","","","","1.137","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075217","29.625","0.003","10.6706","0.0009","18.4259","0.0017","90","","125.603","0.002","90","","4735.9","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14.5 H39 B9 N4 Ti -","- C56 H140 B36 N16 Ti4 -","- C112 H280 B72 N32 Ti8 -","2","0.25","","Gao, Mingli; Tang, Yong; Xie, Meihua; Qian, Changtao; Xie, Zuowei","Synthesis, Structure, and Olefin Polymerization Behavior of Constrained-Geometry Group 4 Metallacarboranes Incorporating Imido-Dicarbollyl Ligands","Organometallics","2006","25","10","2578","","10.1021/om060125y","","","0.71073","MoKα","","0.0943","0.0694","","","0.2005","0.2162","","","","","","1.013","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075218","20.3264","0.0008","9.6981","0.0004","21.9595","0.0008","90","","106.996","0.002","90","","4139.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C43.5 H62 B Cu N2 O2 -","- C43.5 H62 B Cu N2 O2 -","- C174 H248 B4 Cu4 N8 O8 -","4","1","","Laitar, David S.; Tsui, Emily Y.; Sadighi, Joseph P.","Copper(I) β-Boroalkyls from Alkene Insertion: Isolation and Rearrangement","Organometallics","2006","25","10","2405","","10.1021/om060131u","","","0.71073","MoKα","","0.0929","0.0657","","","0.1349","0.1449","","","","","","1.133","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075219","12.5994","0.0008","19.7548","0.0015","17.9349","0.0014","90","","110.025","0.002","90","","4194.1","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H60 B Cu N2 O2 -","- C44.5 H60 B Cu N2 O2 -","- C178 H240 B4 Cu4 N8 O8 -","4","1","","Laitar, David S.; Tsui, Emily Y.; Sadighi, Joseph P.","Copper(I) β-Boroalkyls from Alkene Insertion: Isolation and Rearrangement","Organometallics","2006","25","10","2405","","10.1021/om060131u","","","0.71073","MoKα","","0.0789","0.0671","","","0.1577","0.1671","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075220","14.167","0.004","16.592","0.003","17.193","0.004","61.488","0.004","68.668","0.004","83.82","0.006","3297.1","1.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","16","Bis[N-(triphenylphosphinimino)phenylacetimidato-N',O]methylsiliconium chloride","","- C58.5 H55.5 Cl11.5 N4 O2.5 P2 Si -","- C58.5 H55.5 Cl11.5 N4 O2.5 P2 Si -","- C117 H111 Cl23 N8 O5 P4 Si2 -","2","1","","Sivaramakrishna, Akella; Kalikhman, Inna; Kertsnus, Evgenia; Korlyukov, Alexander A.; Kost, Daniel","Donor-Stabilized Silyl Cations. 10. Pentacoordinate Siliconium-Ion Salts with a Triphenylphosphinimino-NLigand Group: Two-Bond P−N−Si Coupling as a Measure for Coordination Strength1","Organometallics","2006","25","15","3665","","10.1021/om0601347","","","0.71073","MoKα","","0.1245","0.0637","","","0.1238","0.1369","","","","","","1.023","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075221","12.3421","0.0001","17.5818","0.0002","23.4382","0.0002","90","","94.789","0.001","90","","5068.25","0.08","100","","100","","","","","","","","see paper","7","P 1 21/n 1","-P 2yn","14","","","","- C58 H45 B F9 N P3 Rh -","- C58 H45 B F9 N P3 Rh -","- C232 H180 B4 F36 N4 P12 Rh4 -","4","1","","Finze, Maik; Bernhardt, Eduard; Willner, Helge; Lehmann, Christian W.","(PPh3)3RhCNB(CF3)3and (PPh3)3RhNCB(CF3)3: Isocyano- and Cyanoborate Complexes of Tris(triphenylphosphine)rhodium(I)","Organometallics","2006","25","12","3070","","10.1021/om060135z","","","0.71073","MoKα","","0.0562","0.0368","","","0.1158","0.1342","","","","","","0.825","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075222","14.1585","0.0001","16.9086","0.0002","23.2446","0.0002","90","","94.045","0.001","90","","5550.9","0.09","100","","100","","","","","","","","see paper","8","P 1 21/c 1","-P 2ybc","14","","","","- C59.5 H48 B Cl3 F9 N P3 Rh -","- C59.5 H48 B Cl3.01 F9 N P3 Rh -","- C238 H192 B4 Cl12.04 F36 N4 P12 Rh4 -","4","1","","Finze, Maik; Bernhardt, Eduard; Willner, Helge; Lehmann, Christian W.","(PPh3)3RhCNB(CF3)3and (PPh3)3RhNCB(CF3)3: Isocyano- and Cyanoborate Complexes of Tris(triphenylphosphine)rhodium(I)","Organometallics","2006","25","12","3070","","10.1021/om060135z","","","0.71073","MoKα","","0.1028","0.0596","","","0.1304","0.1498","","","","","","1.013","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075223","8.0135","0.0008","24.027","0.003","14.0296","0.0014","90","","99.09","0.004","90","","2667.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H36 B N6 Pt -","- C27 H36 B N6 Pt -","- C108 H144 B4 N24 Pt4 -","4","1","","MacDonald, Margaret G.; Kostelansky, Cynthia Norris; White, Peter S.; Templeton, Joseph L.","Ethylene Insertion in Tp‘Pt(Ph)(η2-CH2CH2) and C−H Activation of Ethylbenzene to Form a Platinum(IV)ortho-Metalated Phenethyl Complex","Organometallics","2006","25","19","4560","","10.1021/om060137j","","","0.71073","MoKα","","0.0383","0.0297","","","0.0613","0.0642","","","","","","1.12","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075224","28.0057","0.0006","12.4619","0.0003","15.514","0.0003","90","","94.351","0.001","90","","5398.8","0.2","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H35 B Cl2 N6 Pt -","- C25 H35 B Cl2 N6 Pt -","- C200 H280 B8 Cl16 N48 Pt8 -","8","1","","MacDonald, Margaret G.; Kostelansky, Cynthia Norris; White, Peter S.; Templeton, Joseph L.","Ethylene Insertion in Tp‘Pt(Ph)(η2-CH2CH2) and C−H Activation of Ethylbenzene to Form a Platinum(IV)ortho-Metalated Phenethyl Complex","Organometallics","2006","25","19","4560","","10.1021/om060137j","","","0.71073","MoKα","","0.031","0.0251","","","0.0518","0.0539","","","","","","1.041","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075225","9.1331","0.0002","12.6495","0.0003","24.9106","0.0005","102.218","0.001","95.437","0.001","96.559","0.001","2773.27","0.11","173","","173","","","","","","","","","8","P -1","-P 1","2","","","","- C21.5 H31 B2 Cl F4 N6 O Pt -","- C21.5 H31 B2 Cl F4 N6 O Pt -","- C86 H124 B8 Cl4 F16 N24 O4 Pt4 -","4","2","","MacDonald, Margaret G.; Kostelansky, Cynthia Norris; White, Peter S.; Templeton, Joseph L.","Ethylene Insertion in Tp‘Pt(Ph)(η2-CH2CH2) and C−H Activation of Ethylbenzene to Form a Platinum(IV)ortho-Metalated Phenethyl Complex","Organometallics","2006","25","19","4560","","10.1021/om060137j","","","0.71073","MolybdenumKα","","0.055","0.037","","0.041","0.038","","","","","1.8","1.8","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075226","9.536","0.0019","13.146","0.003","28.721","0.006","93.68","0.03","92.09","0.03","92.55","0.03","3586.7","1.3","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H34 As Cl5 Ir N2 O -","- C36 H34 As Cl5 Ir N2 O -","- C144 H136 As4 Cl20 Ir4 N8 O4 -","4","2","","Escola, Natalia; Llebaría, Analuz; Leitus, Gregory; Doctorovich, Fabio","Formation of CoordinatedC-Nitroso Compounds by Reaction of K[IrCl5NO] with Alkenes","Organometallics","2006","25","16","3799","","10.1021/om060141v","","","0.71073","MoKα","","0.043","0.0356","","","0.0889","0.0926","","","","","","0.999","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075227","13.682","0.003","17.08","0.003","18.966","0.004","90","","106.36","0.03","90","","4252.7","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H70 Mg N2 Si8 -","- C24 H70 Mg N2 Si8 -","- C96 H280 Mg4 N8 Si32 -","4","1","","Gaderbauer, Walter; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph; Tilley, T. Don","Synthesis of Polysilanylmagnesium Compounds","Organometallics","2006","25","10","2599","2606","10.1021/om060147k","","","0.71073","MoKα","","0.1514","0.1014","","","0.2539","0.2904","","","","","","1.005","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4075228","9.2398","0.0002","14.8204","0.0004","22.9976","0.0007","90","","95.88","0.001","90","","3132.67","0.14","158","2","158","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H48 Mg O2 Si4 -","- C23 H48 Mg O2 Si4 -","- C92 H192 Mg4 O8 Si16 -","4","1","","Gaderbauer, Walter; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph; Tilley, T. Don","Synthesis of Polysilanylmagnesium Compounds","Organometallics","2006","25","10","2599","2606","10.1021/om060147k","","","0.71073","MoKα","","0.1135","0.0571","","","0.1199","0.1351","","","","","","0.978","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4075229","10.02","0.002","17.796","0.004","19.966","0.004","90","","90","","90","","3560.3","1.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H58 Mg O2 Si6 -","- C22 H58 Mg O2 Si6 -","- C88 H232 Mg4 O8 Si24 -","4","0.5","","Gaderbauer, Walter; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph; Tilley, T. Don","Synthesis of Polysilanylmagnesium Compounds","Organometallics","2006","25","10","2599","2606","10.1021/om060147k","","","0.71073","MoKα","","0.0848","0.0552","","","0.1363","0.1461","","","","","","1.073","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4075230","10.069","0.002","18.334","0.004","19.739","0.004","90","","90","","90","","3643.9","1.3","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C22 H58 Mg O4 Si6 -","- C22 H58 Mg O4 Si6 -","- C88 H232 Mg4 O16 Si24 -","4","0.5","","Gaderbauer, Walter; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph; Tilley, T. Don","Synthesis of Polysilanylmagnesium Compounds","Organometallics","2006","25","10","2599","2606","10.1021/om060147k","","","0.71073","MoKα","","0.1114","0.1003","","","0.2166","0.2233","","","","","","1.224","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4075231","8.0433","0.0016","24.718","0.005","10.042","0.002","90","","97.01","0.03","90","","1981.6","0.7","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H58 Br2 Mg2 O2 Si6 -","- C22 H58 Br2 Mg2 O2 Si6 -","- C44 H116 Br4 Mg4 O4 Si12 -","2","0.5","","Gaderbauer, Walter; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph; Tilley, T. Don","Synthesis of Polysilanylmagnesium Compounds","Organometallics","2006","25","10","2599","2606","10.1021/om060147k","","","0.71073","MoKα","","0.0959","0.0659","","","0.1252","0.1348","","","","","","1.08","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4075232","10.592","0.002","11.069","0.002","18.403","0.004","99.82","0.03","97.8","0.03","104.3","0.03","2024.1","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H62 Mg O2 Si6 -","- C32 H62 Mg O2 Si6 -","- C64 H124 Mg2 O4 Si12 -","2","1","","Gaderbauer, Walter; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph; Tilley, T. Don","Synthesis of Polysilanylmagnesium Compounds","Organometallics","2006","25","10","2599","2606","10.1021/om060147k","","","0.71073","MoKα","","0.1255","0.0992","","","0.2749","0.2907","","","","","","1.063","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4075233","13.009","0.003","15.913","0.003","20.961","0.004","90","","90","","90","","4339.2","1.5","243","2","243","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H64 Mg O2 Si8 -","- C24 H64 Mg O2 Si8 -","- C96 H256 Mg4 O8 Si32 -","4","1","","Gaderbauer, Walter; Zirngast, Michaela; Baumgartner, Judith; Marschner, Christoph; Tilley, T. Don","Synthesis of Polysilanylmagnesium Compounds","Organometallics","2006","25","10","2599","2606","10.1021/om060147k","","","0.71073","mokα","","0.0785","0.0642","","","0.1592","0.171","","","","","","1.026","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4075234","12.8912","0.0004","13.3318","0.0004","7.6987","0.0002","90","","102.668","0.002","90","","1290.91","0.07","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(CuCl)~2~(CO)~2~(DABCO)]","catena-poly[dicarbonyldi-!mu-chloro-!mu- (1,4-diazabicyclo[2.2.2]octane)dicopper(I)]","","- C8 H12 Cl2 Cu2 N2 O2 -","- C8 H12 Cl2 Cu2 N2 O2 -","- C32 H48 Cl8 Cu8 N8 O8 -","4","0.5","","Wiles, Austin B.; Pike, Robert D.","Copper(I) Chloride Carbonyl Polymers","Organometallics","2006","25","13","3282","","10.1021/om0601504","","","1.54178","CuKα","","0.0429","0.0357","","","0.0909","0.0946","","","","","","1.074","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075235","13.4585","0.0004","13.4881","0.0004","6.3617","0.0002","90","","100.036","0.002","90","","1137.17","0.06","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","[(CuCl)~2~(CO)~2~(Piperazine)]","catena-poly[dicarbonyldi-!mu-chloro-!mu- (1,4-diaminocyclohexane)dicopper(I)]","","- C6 H10 Cl2 Cu2 N2 O2 -","- C6 H10 Cl2 Cu2 N2 O2 -","- C24 H40 Cl8 Cu8 N8 O8 -","4","0.5","","Wiles, Austin B.; Pike, Robert D.","Copper(I) Chloride Carbonyl Polymers","Organometallics","2006","25","13","3282","","10.1021/om0601504","","","1.54178","CuKα","","0.0397","0.0338","","","0.089","0.0919","","","","","","1.045","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075236","11.8093","0.0009","8.7799","0.0007","8.2075","0.0011","90","","131.624","0.003","90","","636.13","0.11","100","2","100","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","[(CuCl)~2~(CO)~2~(N,N'-Dimethylpiperazine)]","catena-poly[dicarbonyldi-!mu-chloro-!mu- (1,4-dimethyl-1,4-diaminocyclohexane)dicopper(I)]","","- C8 H14 Cl2 Cu2 N2 O2 -","- C8 H14 Cl2 Cu2 N2 O2 -","- C16 H28 Cl4 Cu4 N4 O4 -","2","0.25","","Wiles, Austin B.; Pike, Robert D.","Copper(I) Chloride Carbonyl Polymers","Organometallics","2006","25","13","3282","","10.1021/om0601504","","","1.54178","CuKα","","0.0355","0.0284","","","0.0673","0.0703","","","","","","1.051","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075237","8.9656","0.0005","9.1636","0.0005","9.7359","0.0005","77.346","0.001","66.42","0.001","83.55","0.001","715.01","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H21 Br N2 O -","- C13 H21 Br N2 O -","- C26 H42 Br2 N4 O2 -","2","1","","Huynh, Han Vinh; Han, Yuan; Ho, Joanne Hui Hui; Tan, Geok Kheng","Palladium(II) Complexes of a Sterically Bulky, Benzannulated N-Heterocyclic Carbene with Unusual Intramolecular C−H···Pd and Ccarbene···Br Interactions and Their Catalytic Activities","Organometallics","2006","25","13","3267","","10.1021/om060151w","","","0.71073","MoKα","","0.0285","0.0258","","","0.0668","0.0682","","","","","","1.06","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075238","8.6931","0.0006","9.2111","0.0006","12.6637","0.0008","102.509","0.001","96.381","0.001","110.548","0.001","907.33","0.1","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H44 Br4 N4 Pd2 -","- C33 H44 Br4 N4 Pd2 -","- C33 H44 Br4 N4 Pd2 -","1","0.5","","Huynh, Han Vinh; Han, Yuan; Ho, Joanne Hui Hui; Tan, Geok Kheng","Palladium(II) Complexes of a Sterically Bulky, Benzannulated N-Heterocyclic Carbene with Unusual Intramolecular C−H···Pd and Ccarbene···Br Interactions and Their Catalytic Activities","Organometallics","2006","25","13","3267","","10.1021/om060151w","","","0.71073","MoKα","","0.0446","0.0312","","","0.0682","0.0733","","","","","","1.01","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075239","8.6495","0.0004","9.783","0.0004","12.344","0.0005","103.177","0.001","99.535","0.001","109.912","0.001","921.84","0.07","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 Br2 N3 Pd -","- C15 H21 Br2 N3 Pd -","- C30 H42 Br4 N6 Pd2 -","2","1","","Huynh, Han Vinh; Han, Yuan; Ho, Joanne Hui Hui; Tan, Geok Kheng","Palladium(II) Complexes of a Sterically Bulky, Benzannulated N-Heterocyclic Carbene with Unusual Intramolecular C−H···Pd and Ccarbene···Br Interactions and Their Catalytic Activities","Organometallics","2006","25","13","3267","","10.1021/om060151w","","","0.71073","MoKα","","0.0243","0.0215","","","0.0556","0.0566","","","","","","1.059","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075240","15.729","0.0007","8.9604","0.0004","33.5536","0.0016","90","","93.006","0.001","90","","4722.5","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 Br3 Cl12 N4 Pd -","- C30 H41 Br3 Cl12 N4 Pd -","- C120 H164 Br12 Cl48 N16 Pd4 -","4","1","","Huynh, Han Vinh; Han, Yuan; Ho, Joanne Hui Hui; Tan, Geok Kheng","Palladium(II) Complexes of a Sterically Bulky, Benzannulated N-Heterocyclic Carbene with Unusual Intramolecular C−H···Pd and Ccarbene···Br Interactions and Their Catalytic Activities","Organometallics","2006","25","13","3267","","10.1021/om060151w","","","0.71073","MoKα","","0.1116","0.0591","","","0.1297","0.1483","","","","","","0.996","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075241","10.5155","0.0005","17.5035","0.0007","16.4655","0.0007","90","","94.722","0.001","90","","3020.3","0.2","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H33 Br2 N2 P Pd -","- C31 H33 Br2 N2 P Pd -","- C124 H132 Br8 N8 P4 Pd4 -","4","1","","Huynh, Han Vinh; Han, Yuan; Ho, Joanne Hui Hui; Tan, Geok Kheng","Palladium(II) Complexes of a Sterically Bulky, Benzannulated N-Heterocyclic Carbene with Unusual Intramolecular C−H···Pd and Ccarbene···Br Interactions and Their Catalytic Activities","Organometallics","2006","25","13","3267","","10.1021/om060151w","","","0.71073","MoKα","","0.0407","0.0283","","","0.0552","0.0565","","","","","","0.845","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075242","10.417","0.006","10.506","0.006","16.286","0.01","86.468","0.012","89.22","0.01","83.204","0.011","1766.4","1.8","299","2","299","2","","","","","","","","6","P -1","-P 1","2","","","","- C26.5 H17 Cl N2 O13 Ru6 -","- C26.5 H17 Cl N2 O13 Ru6 -","- C53 H34 Cl2 N4 O26 Ru12 -","2","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride","Organometallics","2006","25","10","2683","","10.1021/om060153g","","","0.71073","MoKα","","0.0498","0.0418","","","0.131","0.1422","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075243","11.039","0.005","15.971","0.008","18.772","0.009","90","","90","","90","","3310","3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H16 N2 O14 Ru6 -","- C27 H16 N2 O14 Ru6 -","- C108 H64 N8 O56 Ru24 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride","Organometallics","2006","25","10","2683","","10.1021/om060153g","","","0.71073","MoKα","","0.0358","0.032","","","0.0775","0.0828","","","","","","1.004","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075244","9.809","0.003","15.275","0.004","25.395","0.007","90","","95.136","0.005","90","","3789.7","1.8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Cl3 N2 O13 Ru6 -","- C29 H20 Cl3 N2 O13 Ru6 -","- C116 H80 Cl12 N8 O52 Ru24 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride","Organometallics","2006","25","10","2683","","10.1021/om060153g","","","0.71073","MoKα","","0.0473","0.032","","","0.0716","0.0795","","","","","","1.019","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075245","10.32","0.003","10.367","0.003","17.432","0.005","98.535","0.006","101.697","0.006","97.669","0.006","1780.1","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N2 O11 Ru6 -","- C34 H28 N2 O11 Ru6 -","- C68 H56 N4 O22 Ru12 -","2","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride","Organometallics","2006","25","10","2683","","10.1021/om060153g","","","0.71073","MoKα","","0.0536","0.0459","","","0.1021","0.1102","","","","","","1.149","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075246","32.288","0.005","9.925","0.005","17.2283","0.0014","90","","99.214","0.013","90","","5450","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H14 O10 Ru6 -","- C25 H14 O10 Ru6 -","- C200 H112 O80 Ru48 -","8","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride","Organometallics","2006","25","10","2683","","10.1021/om060153g","","","0.71073","MoKα","","0.0395","0.0248","","","0.0493","0.0544","","","","","","1.04","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075247","10.377","0.003","30.051","0.008","10.964","0.003","90","","115.848","0.004","90","","3076.9","1.5","299","2","299","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H12 N2 O14 Ru6 -","- C25 H12 N2 O14 Ru6 -","- C100 H48 N8 O56 Ru24 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride","Organometallics","2006","25","10","2683","","10.1021/om060153g","","","0.71073","MoKα","","0.0325","0.0251","","","0.0515","0.0551","","","","","","1.078","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075248","21.283","0.007","16.692","0.005","17.63","0.006","90","","90","","90","","6263","4","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C27 H18 N2 O11 Ru6 -","- C27 H18 N2 O11 Ru6 -","- C216 H144 N16 O88 Ru48 -","8","2","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride","Organometallics","2006","25","10","2683","","10.1021/om060153g","","","0.71073","MoKα","","0.0372","0.0309","","","0.064","0.0687","","","","","","1.141","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075249","8.858","0.002","14.857","0.003","23.261","0.005","90","","93.376","0.004","90","","3055.9","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H16 N2 O12 Ru5 -","- C28 H16 N2 O12 Ru5 -","- C112 H64 N8 O48 Ru20 -","4","1","","Cabeza, Javier A.; del Río, Ignacio; García-Álvarez, Pablo; Miguel, Daniel","Reactivity of Arenes, Cycloheptatriene, and Dicyclopentadiene with a Basal Edge-Bridged Square Pyramidal Hexaruthenium Dihydride","Organometallics","2006","25","10","2683","","10.1021/om060153g","","","0.71073","MoKα","","0.0357","0.0319","","","0.0706","0.0726","","","","","","1.138","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075250","17.067","0.001","13.471","0.001","16.321","0.001","90","","115.17","0.001","90","","3396.1","0.4","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H24 O14 P2 W2 -","- C30 H24 O14 P2 W2 -","- C120 H96 O56 P8 W8 -","4","1","","Tran Huy, Ngoc Hoa; Hao, Shaojie; Ricard, Louis; Mathey, François","Electronic Structure and Evolution of a Terminal Butadienylphosphinidene Complex","Organometallics","2006","25","13","3152","","10.1021/om060156t","","","0.71069","MoKα","","0.0439","0.029","","","0.0647","0.0693","","","","","","1.008","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075251","8.32","0.001","10.293","0.001","14.189","0.001","91.399","0.001","95.902","0.001","112.739","0.001","1112","0.19","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25 O5 P W -","- C21 H25 O5 P W -","- C42 H50 O10 P2 W2 -","2","1","","Tran Huy, Ngoc Hoa; Hao, Shaojie; Ricard, Louis; Mathey, François","Electronic Structure and Evolution of a Terminal Butadienylphosphinidene Complex","Organometallics","2006","25","13","3152","","10.1021/om060156t","","","0.71069","MoKα","","0.0261","0.0241","","","0.0618","0.0629","","","","","","1.058","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075252","14.491","0.003","15.479","0.002","17.36","0.003","90","","90.3","0.03","90","","3893.9","1.2","293","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C41 H30 Fe N6 O Sn2 -","- C41 H30 Fe N6 O Sn2 -","- C164 H120 Fe4 N24 O4 Sn8 -","4","1","","Xu, Guo-Hai; Ma, Jian-Fang; Yu, Hai-Xia; Li,; Liu, Ying-Ying; Yang, Jin; Su, Zhong-Min; Shi, Chun-Feng","A Series of New Organotin−Cyanometalate Compounds Based on Triorganotin, Diorganotin, and Organooxotin Clusters","Organometallics","2006","25","26","5996","","10.1021/om060157l","","","0.71073","MoKα","","0.0379","0.0315","","","0.0686","0.0708","","","","","","0.929","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075253","14.3366","0.001","21.9394","0.0015","29.751","0.002","90","","90","","90","","9357.8","1.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C47 H42 Fe N6 O Sn2 -","- C47 H42 Fe N6 O Sn2 -","- C376 H336 Fe8 N48 O8 Sn16 -","8","1","","Xu, Guo-Hai; Ma, Jian-Fang; Yu, Hai-Xia; Li,; Liu, Ying-Ying; Yang, Jin; Su, Zhong-Min; Shi, Chun-Feng","A Series of New Organotin−Cyanometalate Compounds Based on Triorganotin, Diorganotin, and Organooxotin Clusters","Organometallics","2006","25","26","5996","","10.1021/om060157l","","","0.71073","MoKα","","0.0835","0.051","","","0.1235","0.1414","","","","","","0.979","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075254","7.59","0.005","7.59","0.005","9.307","0.005","90","0.005","90","0.005","90","0.005","536.2","0.6","293","2","293","2","","","","","","","","6","P 4/m m m","-P 4 2","123","","","","- C19 H14 Fe N6 O Sn -","- C19 Fe N6 O Sn -","- C19 Fe N6 O Sn -","1","0.0625","","Xu, Guo-Hai; Ma, Jian-Fang; Yu, Hai-Xia; Li,; Liu, Ying-Ying; Yang, Jin; Su, Zhong-Min; Shi, Chun-Feng","A Series of New Organotin−Cyanometalate Compounds Based on Triorganotin, Diorganotin, and Organooxotin Clusters","Organometallics","2006","25","26","5996","","10.1021/om060157l","","","0.71069","MoKα","","0.046","0.0445","","","0.1233","0.1251","","","","","","1.146","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075255","19.886","0.003","19.886","0.003","10.595","0.002","90","","90","","90","","4189.8","1.2","293","2","293","2","","","","","","","","6","P 4/n :2","-P 4a","85","","","","- C91 H84 Fe N8 O Sn4 -","- C91 H84 Fe N8 O Sn4 -","- C182 H168 Fe2 N16 O2 Sn8 -","2","0.25","","Xu, Guo-Hai; Ma, Jian-Fang; Yu, Hai-Xia; Li,; Liu, Ying-Ying; Yang, Jin; Su, Zhong-Min; Shi, Chun-Feng","A Series of New Organotin−Cyanometalate Compounds Based on Triorganotin, Diorganotin, and Organooxotin Clusters","Organometallics","2006","25","26","5996","","10.1021/om060157l","","","0.71073","MoKα","","0.0978","0.0697","","","0.1528","0.168","","","","","","1.047","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075256","12.6316","0.0008","13.3725","0.0008","22.3824","0.0013","81.483","0.001","78.401","0.001","79.649","0.001","3618.6","0.4","186.5","","186.5","","","","","","","","","7","P -1","-P 1","2","","","","- C66 H68 Cl6 Fe N6 O5 Sn4 -","- C66 H68 Cl6 Fe N6 O5 Sn4 -","- C132 H136 Cl12 Fe2 N12 O10 Sn8 -","2","1","","Xu, Guo-Hai; Ma, Jian-Fang; Yu, Hai-Xia; Li,; Liu, Ying-Ying; Yang, Jin; Su, Zhong-Min; Shi, Chun-Feng","A Series of New Organotin−Cyanometalate Compounds Based on Triorganotin, Diorganotin, and Organooxotin Clusters","Organometallics","2006","25","26","5996","","10.1021/om060157l","","","0.71073","MoKα","","0.166","0.0976","","","0.1555","0.1833","","","","","","1.098","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075257","12.7533","0.0008","13.4046","0.0008","22.4209","0.0013","81.961","0.001","77.693","0.001","79.673","0.001","3663.5","0.4","186.5","","186.5","","","","","","","","","7","P -1","-P 1","2","","","","- C68 H72 Cl6 Fe N6 O5 Sn4 -","- C68 H70 Cl6 Fe N6 O5 Sn4 -","- C136 H140 Cl12 Fe2 N12 O10 Sn8 -","2","1","","Xu, Guo-Hai; Ma, Jian-Fang; Yu, Hai-Xia; Li,; Liu, Ying-Ying; Yang, Jin; Su, Zhong-Min; Shi, Chun-Feng","A Series of New Organotin−Cyanometalate Compounds Based on Triorganotin, Diorganotin, and Organooxotin Clusters","Organometallics","2006","25","26","5996","","10.1021/om060157l","","","0.71073","MoKα","","0.0834","0.0597","","","0.1401","0.1541","","","","","","1.09","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075258","11.7663","0.0015","20.368","0.002","11.1494","0.0014","90","","117.044","0.003","90","","2379.9","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H37 Cu O2 Si2 -","- C19 H37 Cu O2 Si2 -","- C76 H148 Cu4 O8 Si8 -","4","1","","Thompson, Jeffery S.; Bradley, Alexander Z.; Park, Kyung-Ho; Dobbs, Kerwin D.; Marshall, Will","Copper(I) Complexes with Bis(trimethylsilyl)acetylene: Role of Ancillary Ligands in Determining π Back-Bonding Interactions","Organometallics","2006","25","11","2712","","10.1021/om060162p","","","0.71073","MoKα","","0.1865","0.0771","","","0.1379","0.1798","","","","","","1.014","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075259","11.502","0.002","17.021","0.003","6.957","0.0014","96.2","0.03","103","0.03","89.58","0.03","1319.1","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H43 Cu N2 Si2 -","- C21 H43 Cu N2 Si2 -","- C42 H86 Cu2 N4 Si4 -","2","1","","Thompson, Jeffery S.; Bradley, Alexander Z.; Park, Kyung-Ho; Dobbs, Kerwin D.; Marshall, Will","Copper(I) Complexes with Bis(trimethylsilyl)acetylene: Role of Ancillary Ligands in Determining π Back-Bonding Interactions","Organometallics","2006","25","11","2712","","10.1021/om060162p","","","0.71073","MoKα","","0.0448","0.036","","","0.0878","0.0906","","","","","","0.955","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075260","13.8541","0.0011","12.0079","0.0011","18.647","0.0014","90","","100.035","0.004","90","","3054.6","0.4","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H27 F3 N4 O4 Pd S -","- C32 H27 F3 N4 O4 Pd S -","- C128 H108 F12 N16 O16 Pd4 S4 -","4","1","","Vicente, José; Abad, José Antonio; López-Sáez, María-José; Jones, Peter G.","Reactivity of Ortho-Palladated Phenol Derivatives with Unsaturated Molecules. Carbodiimide Insertion into a C−Pd Bond and/or O−H Phenol Addition to a Carbodiimide","Organometallics","2006","25","8","1851","","10.1021/om0601652","","","0.71073","MoKα","","0.0611","0.0335","","","0.0758","0.0838","","","","","","0.943","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075261","25.677","0.002","13.7723","0.0011","20.4054","0.0016","90","","122.774","0.004","90","","6067.3","0.9","133","2","133","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C30 H35 F3 N4 O4 Pd S -","- C30 H35 F3 N4 O4 Pd S -","- C240 H280 F24 N32 O32 Pd8 S8 -","8","1","","Vicente, José; Abad, José Antonio; López-Sáez, María-José; Jones, Peter G.","Reactivity of Ortho-Palladated Phenol Derivatives with Unsaturated Molecules. Carbodiimide Insertion into a C−Pd Bond and/or O−H Phenol Addition to a Carbodiimide","Organometallics","2006","25","8","1851","","10.1021/om0601652","","","0.71073","MoKα","","0.0483","0.0293","","","0.0698","0.0752","","","","","","1.022","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075262","8.562","0.0003","22.453","0.0008","10.082","0.0003","90","","114.353","0.002","90","","1765.73","0.11","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 Ag Cl N3 O -","- C19 H17 Ag Cl N3 O -","- C76 H68 Ag4 Cl4 N12 O4 -","4","1","","Poyatos, Macarena; Maisse-François, Aline; Bellemin-Laponnaz, Stéphane; Gade, Lutz H.","Coordination Chemistry of a Modular N,C-Chelating Oxazole-Carbene Ligand and Its Applications in Hydrosilylation Catalysis§","Organometallics","2006","25","10","2634","","10.1021/om060166u","","","0.71073","MoKα","","0.119","0.0464","","","0.0931","0.1112","","","","","","1","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075263","11.615","0.0005","14.779","0.0007","13.821","0.0007","90","","108.415","0.003","90","","2251","0.19","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl4 N3 O Pd -","- C20 H19 Cl4 N3 O Pd -","- C80 H76 Cl16 N12 O4 Pd4 -","4","1","","Poyatos, Macarena; Maisse-François, Aline; Bellemin-Laponnaz, Stéphane; Gade, Lutz H.","Coordination Chemistry of a Modular N,C-Chelating Oxazole-Carbene Ligand and Its Applications in Hydrosilylation Catalysis§","Organometallics","2006","25","10","2634","","10.1021/om060166u","","","0.71073","MoKα","","0.1728","0.0658","","","0.1624","0.2115","","","","","","0.957","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075264","15.941","0.001","17.114","0.001","13.24","0.001","90","0.05","90","0.05","90","0.05","3612.1","0.4","173","2","173","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C38 H34 I2 N6 O2 Pd -","- C38 H34 I2 N6 O2 Pd -","- C152 H136 I8 N24 O8 Pd4 -","4","0.5","","Poyatos, Macarena; Maisse-François, Aline; Bellemin-Laponnaz, Stéphane; Gade, Lutz H.","Coordination Chemistry of a Modular N,C-Chelating Oxazole-Carbene Ligand and Its Applications in Hydrosilylation Catalysis§","Organometallics","2006","25","10","2634","","10.1021/om060166u","","","0.7107","MoKα","","0.1393","0.0464","","","0.0942","0.1209","","","","","","0.952","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075265","22.86","0.001","9.52","0.001","31.005","0.002","90","","109.26","0.05","90","","6370","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C60.75 H52 Cl4.5 N9 O6 Rh3 -","- C60.75 H52 Cl4.5 N9 O6 Rh3 -","- C243 H208 Cl18 N36 O24 Rh12 -","4","1","","Poyatos, Macarena; Maisse-François, Aline; Bellemin-Laponnaz, Stéphane; Gade, Lutz H.","Coordination Chemistry of a Modular N,C-Chelating Oxazole-Carbene Ligand and Its Applications in Hydrosilylation Catalysis§","Organometallics","2006","25","10","2634","","10.1021/om060166u","","","0.71073","MoKα","","0.089","0.0554","","","0.1635","0.1895","","","","","","0.911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075266","11.592","0.0006","14.823","0.0008","13.795","0.0009","90","","108.439","0.002","90","","2248.7","0.2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 Cl4 N3 O Pt -","- C20 H19 Cl4 N3 O Pt -","- C80 H76 Cl16 N12 O4 Pt4 -","4","1","","Poyatos, Macarena; Maisse-François, Aline; Bellemin-Laponnaz, Stéphane; Gade, Lutz H.","Coordination Chemistry of a Modular N,C-Chelating Oxazole-Carbene Ligand and Its Applications in Hydrosilylation Catalysis§","Organometallics","2006","25","10","2634","","10.1021/om060166u","","","0.71073","MoKα","","0.0644","0.0355","","","0.0634","0.0712","","","","","","1.026","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075267","20.628","0.003","18.05","0.003","20.269","0.003","90","","90","","90","","7547","2","125","2","125","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C35 H59 Cl N3 Si2 Ti -","- C35 H59 Cl N3 Si2 Ti -","- C280 H472 Cl8 N24 Si16 Ti8 -","8","1","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Terminal Titanium(IV) (Trimethylsilyl)imides Prepared by Oxidatively Induced Trimethylsilyl Abstraction","Organometallics","2006","25","11","2725","","10.1021/om060168e","","","0.71073","MoKα","","0.0651","0.0331","","","0.0746","0.0854","","","","","","0.952","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075268","39.26","0.03","11.143","0.007","17.73","0.013","90","","106.48","0.07","90","","7438","10","123","2","123","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H58 Cl N2 P2 Si2 Ti -","- C32 H58 Cl N2 P2 Si2 Ti -","- C256 H464 Cl8 N16 P16 Si16 Ti8 -","8","1","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Terminal Titanium(IV) (Trimethylsilyl)imides Prepared by Oxidatively Induced Trimethylsilyl Abstraction","Organometallics","2006","25","11","2725","","10.1021/om060168e","","","0.71073","MoKα","","0.0782","0.0448","","","0.1122","0.1295","","","","","","0.962","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075269","17.3349","0.001","17.8065","0.0009","25.2077","0.0014","90","","95.633","0.002","90","","7743.4","0.7","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C33 H50 F3 N3 O3 S Si Ti -","- C33 H50 F3 N3 O3 S Si Ti -","- C264 H400 F24 N24 O24 S8 Si8 Ti8 -","8","1","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Terminal Titanium(IV) (Trimethylsilyl)imides Prepared by Oxidatively Induced Trimethylsilyl Abstraction","Organometallics","2006","25","11","2725","","10.1021/om060168e","","","0.71073","MoKα","","0.0893","0.0708","","","0.1607","0.1709","","","","","","1.173","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075270","12.1919","0.0007","15.1607","0.0009","21.3558","0.0013","90","","106.39","0.002","90","","3786.9","0.4","125","2","125","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C30 H49 F3 N2 O3 P2 S Si Ti -","- C30 H49 F3 N2 O3 P2 S Si Ti -","- C120 H196 F12 N8 O12 P8 S4 Si4 Ti4 -","4","1","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Terminal Titanium(IV) (Trimethylsilyl)imides Prepared by Oxidatively Induced Trimethylsilyl Abstraction","Organometallics","2006","25","11","2725","","10.1021/om060168e","","","0.71073","MoKα","","0.06","0.034","","","0.0678","0.0748","","","","","","0.88","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075271","9.8933","0.0009","22.248","0.002","13.1699","0.0012","90","","95.59","0.002","90","","2885","0.5","273","2","273","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl6 F6 N4 P Rh -","- C20 H26 Cl6 F6 N4 P Rh -","- C80 H104 Cl24 F24 N16 P4 Rh4 -","4","1","","Viciano, Mónica; Mas-Marzá, Elena; Sanaú, Mercedes; Peris, Eduardo","Synthesis and Reactivity of New Complexes of Rhodium and Iridium with Bis(dichloroimidazolylidene) Ligands. Electronic and Catalytic Implications of the Introduction of the Chloro Substituents in the NHC Rings","Organometallics","2006","25","12","3063","","10.1021/om060174a","","","0.71073","MoKα","","0.1321","0.0659","","","0.1766","0.2123","","","","","","1.029","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075272","8.0885","0.0016","15.882","0.003","8.9084","0.0018","90","","104.81","0.03","90","","1106.4","0.4","293","2","293","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C13 H12 Cl4 F6 N4 O2 P Rh -","- C13 H12 Cl4 F6 N4 O2 P Rh -","- C26 H24 Cl8 F12 N8 O4 P2 Rh2 -","2","0.5","","Viciano, Mónica; Mas-Marzá, Elena; Sanaú, Mercedes; Peris, Eduardo","Synthesis and Reactivity of New Complexes of Rhodium and Iridium with Bis(dichloroimidazolylidene) Ligands. Electronic and Catalytic Implications of the Introduction of the Chloro Substituents in the NHC Rings","Organometallics","2006","25","12","3063","","10.1021/om060174a","","","0.71073","MoKα","","0.1191","0.0919","","","0.2475","0.2752","","","","","","1.123","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075273","8.0898","0.0005","15.8913","0.001","8.9124","0.0005","90","","104.882","0.001","90","","1107.32","0.12","273","2","273","2","","","","","","","","8","P 1 21/m 1","-P 2yb","11","","","","- C13 H12 Cl4 F6 Ir N4 O2 P -","- C13 H12 Cl4 F6 Ir N4 O2 P -","- C26 H24 Cl8 F12 Ir2 N8 O4 P2 -","2","0.5","","Viciano, Mónica; Mas-Marzá, Elena; Sanaú, Mercedes; Peris, Eduardo","Synthesis and Reactivity of New Complexes of Rhodium and Iridium with Bis(dichloroimidazolylidene) Ligands. Electronic and Catalytic Implications of the Introduction of the Chloro Substituents in the NHC Rings","Organometallics","2006","25","12","3063","","10.1021/om060174a","","","0.71073","MoKα","","0.0579","0.0389","","","0.1059","0.1176","","","","","","1.117","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075274","8.7689","0.0012","10.4345","0.0007","12.294","0.002","89.967","0.005","76.814","0.006","89.988","0.011","1095.2","0.2","100","","100","","","","","","","","tetrahydrofuran","7","P -1","-P 1","2","","tris(trimethylphosphine)(η^3^-allyl)nickel(ii) trifluoromethanesulfonate","","- C13 H32 F3 Ni O3 P3 S -","- C13 H32 F3 Ni O3 P3 S -","- C26 H64 F6 Ni2 O6 P6 S2 -","2","1","","Rufińska, Anna; Goddard, Richard; Weidenthaler, Claudia; Bühl, Michael; Pörschke, Klaus-Richard","Structural Properties and Dynamics of Five-Coordinate Nickel(II)−π-Allyl Complexes Containing Monodentate Phosphorus Ligands","Organometallics","2006","25","9","2308","","10.1021/om0601807","","","0.71073","MoKα","","0.0527","0.0424","","","0.0887","0.0942","","","","","","1.044","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075275","10.3078","0.0002","12.9243","0.0002","15.9969","0.0003","90","","90.162","0.001","90","","2131.12","0.07","100","","100","","","","","","","","tetrahydrofuran","5","P 1 21/c 1","-P 2ybc","14","","Tris(trimethylphosphine)(η^3^-allyl)nickel(ii)hexafluorophosphate","","- C12 H32 F6 Ni P4 -","- C12 H32 F6 Ni P4 -","- C48 H128 F24 Ni4 P16 -","4","1","","Rufińska, Anna; Goddard, Richard; Weidenthaler, Claudia; Bühl, Michael; Pörschke, Klaus-Richard","Structural Properties and Dynamics of Five-Coordinate Nickel(II)−π-Allyl Complexes Containing Monodentate Phosphorus Ligands","Organometallics","2006","25","9","2308","","10.1021/om0601807","","","0.71073","MoKα","","0.1247","0.0891","","","0.1971","0.2107","","","","","","1.21","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075276","8.3014","0.0002","11.3832","0.0002","12.9936","0.0003","90","","92.894","0.001","90","","1226.28","0.05","100","","100","","","","","","","","diethylether/dichloromethane","6","P 1 21 1","P 2yb","4","","η^3^-allyl-trimethylphosphite-nickel(ii)-hexafluorophosphate","","- C12 H32 F6 Ni O9 P4 -","- C12 H32 F6 Ni O9 P4 -","- C24 H64 F12 Ni2 O18 P8 -","2","1","","Rufińska, Anna; Goddard, Richard; Weidenthaler, Claudia; Bühl, Michael; Pörschke, Klaus-Richard","Structural Properties and Dynamics of Five-Coordinate Nickel(II)−π-Allyl Complexes Containing Monodentate Phosphorus Ligands","Organometallics","2006","25","9","2308","","10.1021/om0601807","","","0.71073","MoKα","","0.0287","0.0269","","","0.0691","0.0701","","","","","","1.041","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075277","10.7181","0.0002","8.1124","0.0001","12.6683","0.0002","90","","96.078","0.001","90","","1095.31","0.03","100","","100","","","","","","","","dichloromethane/diethylether","6","P 1 21 1","P 2yb","4","","η^3^-allyl-trimethylphosphite-nickel(ii)-bromide","","- C12 H32 Br Ni O9 P3 -","- C12 H32 Br Ni O9 P3 -","- C24 H64 Br2 Ni2 O18 P6 -","2","1","","Rufińska, Anna; Goddard, Richard; Weidenthaler, Claudia; Bühl, Michael; Pörschke, Klaus-Richard","Structural Properties and Dynamics of Five-Coordinate Nickel(II)−π-Allyl Complexes Containing Monodentate Phosphorus Ligands","Organometallics","2006","25","9","2308","","10.1021/om0601807","","","0.71073","MoKα","","0.0721","0.0496","","","0.0791","0.0857","","","","","","1.028","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075278","11.6045","0.0001","16.1857","0.0003","12.2778","0.0002","90","","94.796","0.001","90","","2298.03","0.06","100","","100","","","","","","","","diethylether/dichloromethane","6","P 1 21/n 1","-P 2yn","14","","η^3^-allyl-trimethylphosphite-nickel(ii)-hexafluorophosphate","","- C12 H32 I Ni O9 P3 -","- C12 H32 I Ni O9 P3 -","- C48 H128 I4 Ni4 O36 P12 -","4","1","","Rufińska, Anna; Goddard, Richard; Weidenthaler, Claudia; Bühl, Michael; Pörschke, Klaus-Richard","Structural Properties and Dynamics of Five-Coordinate Nickel(II)−π-Allyl Complexes Containing Monodentate Phosphorus Ligands","Organometallics","2006","25","9","2308","","10.1021/om0601807","","","0.71073","MoKα","","0.0332","0.0251","","","0.0621","0.0655","","","","","","1.027","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075279","14.3431","0.0003","16.5223","0.0004","14.6397","0.0003","90","","111.655","0.001","90","","3224.47","0.12","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H6 Ag2 Au2 F20 N2 -","- C28 H6 Ag2 Au2 F20 N2 -","- C112 H24 Ag8 Au8 F80 N8 -","4","0.5","","Fernández, Eduardo J.; Laguna, Antonio; López-de-Luzuriaga, José M.; Monge, Miguel; Montiel, Manuel; Olmos, M. Elena; Rodríguez-Castillo, María","Photophysical and Theoretical Studies on Luminescent Tetranuclear Coinage Metal Building Blocks","Organometallics","2006","25","15","3639","","10.1021/om060181z","","","0.71073","MoKα","","0.0579","0.0361","","","0.0715","0.0781","","","","","","1.033","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075280","14.0107","0.0002","16.4487","0.0004","14.0295","0.0003","90","","106.119","0.0013","90","","3106.1","0.11","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H6 Au2 Cu2 F20 N2 -","- C28 H6 Au2 Cu2 F20 N2 -","- C112 H24 Au8 Cu8 F80 N8 -","4","0.5","","Fernández, Eduardo J.; Laguna, Antonio; López-de-Luzuriaga, José M.; Monge, Miguel; Montiel, Manuel; Olmos, M. Elena; Rodríguez-Castillo, María","Photophysical and Theoretical Studies on Luminescent Tetranuclear Coinage Metal Building Blocks","Organometallics","2006","25","15","3639","","10.1021/om060181z","","","0.71073","MoKα","","0.0511","0.0289","","","0.0533","0.0578","","","","","","1.034","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075281","18.892","0.0006","9.2032","0.0003","10.5612","0.0003","90","","90","","90","","1836.24","0.1","100","2","100","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C15 H27 Cl Ni O P2 -","- C15 H27 Cl Ni O P2 -","- C60 H108 Cl4 Ni4 O4 P8 -","4","1","","Cámpora, Juan; Matas, Inmaculada; Maya, Celia M.; Palma, Pilar; Álvarez, Eleuterio","Self-Addition of Metallacyclic Nickel Enolate Complexes Stabilized by Monodentate Phosphine Ligands†","Organometallics","2006","25","13","3124","","10.1021/om060183j","","","0.71073","MoKα","","0.0489","0.0455","","","0.1067","0.1084","","","","","","1.106","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075282","11.656","0.0006","12.2387","0.0006","12.8339","0.0007","66.272","0.001","63.711","0.001","69.297","0.001","1468.02","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 Ni2 O3 P2 -","- C32 H36 Ni2 O3 P2 -","- C64 H72 Ni4 O6 P4 -","2","1","","Cámpora, Juan; Matas, Inmaculada; Maya, Celia M.; Palma, Pilar; Álvarez, Eleuterio","Self-Addition of Metallacyclic Nickel Enolate Complexes Stabilized by Monodentate Phosphine Ligands†","Organometallics","2006","25","13","3124","","10.1021/om060183j","","","0.71073","MoKα","","0.0377","0.0281","","","0.0672","0.0715","","","","","","1.057","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075283","10.8446","0.0009","16.8315","0.0014","12.7181","0.0011","90","","102.542","0.002","90","","2266","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H30 Ni O P2 -","- C25 H30 Ni O P2 -","- C100 H120 Ni4 O4 P8 -","4","1","","Cámpora, Juan; Matas, Inmaculada; Maya, Celia M.; Palma, Pilar; Álvarez, Eleuterio","Self-Addition of Metallacyclic Nickel Enolate Complexes Stabilized by Monodentate Phosphine Ligands†","Organometallics","2006","25","13","3124","","10.1021/om060183j","","","0.71073","MoKα","","0.0512","0.039","","","0.0849","0.0884","","","","","","0.972","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075284","8.773","0.0018","13.301","0.003","17.47","0.004","82.526","0.004","82.582","0.004","87.424","0.004","2003.5","0.8","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H25 Cl2 N Ti -","- C20 H25 Cl2 N Ti -","- C80 H100 Cl8 N4 Ti4 -","4","2","","Cho, Dae Joon; Wu, Chun Ji; S, Sujith; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul","o-Phenylene-Bridged Cp/Amido Titanium Complexes for Ethylene/1-Hexene Copolymerizations","Organometallics","2006","25","9","2133","2134","10.1021/om0601854","","","0.71073","MoKα","","0.0433","0.0336","","","0.089","0.0954","","","","","","1.046","","","","has coordinates","209857","2020-10-21","18:00:00",""
"4075285","8.3533","0.001","11.2763","0.0013","11.9066","0.0014","99.884","0.002","98.641","0.002","106.94","0.002","1032.8","0.2","233","2","233","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 Cl3 N Ti -","- C20 H24 Cl3 N Ti -","- C40 H48 Cl6 N2 Ti2 -","2","1","","Cho, Dae Joon; Wu, Chun Ji; S, Sujith; Han, Won-Sik; Kang, Sang Ook; Lee, Bun Yeoul","o-Phenylene-Bridged Cp/Amido Titanium Complexes for Ethylene/1-Hexene Copolymerizations","Organometallics","2006","25","9","2133","2134","10.1021/om0601854","","","0.71073","MoKα","","0.0848","0.0607","","","0.204","0.2205","","","","","","1.134","","","","has coordinates","209857","2020-10-21","18:00:00",""
"4075286","9.0887","0.0018","10.574","0.002","13.65","0.003","68.33","0.03","78.31","0.03","83","0.03","1192.2","0.5","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Ph(CC)2Ph-2[(o-C6F4Hg)3]","","","- C52 H10 F24 Hg6 -","- C52 H10 F24 Hg6 -","- C52 H10 F24 Hg6 -","1","0.5","","Taylor, Thomas J.; Gabbaï, François P.","Supramolecular Stabilization of α,ω-Diphenylpolyynes by Complexation to the Tridentate Lewis Acid [o-C6F4Hg]3","Organometallics","2006","25","9","2143","","10.1021/om060186w","","","0.71073","MoKα","","0.0646","0.0599","","","0.1583","0.1649","","","","","","1.013","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075287","12.36","0.003","30.321","0.006","9.0688","0.0018","90","","108.43","0.03","90","","3224.4","1.3","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Ph(CC)3Ph-[(o-C6F4Hg)3]","","","- C36 H10 F12 Hg3 -","- C36 H10 F12 Hg3 -","- C144 H40 F48 Hg12 -","4","0.5","","Taylor, Thomas J.; Gabbaï, François P.","Supramolecular Stabilization of α,ω-Diphenylpolyynes by Complexation to the Tridentate Lewis Acid [o-C6F4Hg]3","Organometallics","2006","25","9","2143","","10.1021/om060186w","","","0.71073","MoKα","","0.0403","0.0336","","","0.0853","0.0881","","","","","","1.008","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075288","6.9766","0.0014","10.317","0.002","18.189","0.004","95.01","0.03","93.27","0.03","102.36","0.03","1270.1","0.5","110","2","110","2","","","","","","","","4","P -1","-P 1","2","Ph(CC)4Ph-2[(o-C6F4Hg)3]","","","- C28 H5 F12 Hg3 -","- C28 H5 F12 Hg3 -","- C56 H10 F24 Hg6 -","2","1","","Taylor, Thomas J.; Gabbaï, François P.","Supramolecular Stabilization of α,ω-Diphenylpolyynes by Complexation to the Tridentate Lewis Acid [o-C6F4Hg]3","Organometallics","2006","25","9","2143","","10.1021/om060186w","","","0.71073","MoKα","","0.0435","0.0377","","","0.0907","0.1056","","","","","","1.013","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075289","9.6848","0.0019","7.1522","0.0014","43.542","0.009","90","","95.49","0.03","90","","3002.2","1","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Ph(CC)6Ph-2[(o-C6F4Hg)3]","","","- C31 H7 Cl2 F12 Hg3 -","- C31 H7 Cl2 F12 Hg3 -","- C124 H28 Cl8 F48 Hg12 -","4","1","","Taylor, Thomas J.; Gabbaï, François P.","Supramolecular Stabilization of α,ω-Diphenylpolyynes by Complexation to the Tridentate Lewis Acid [o-C6F4Hg]3","Organometallics","2006","25","9","2143","","10.1021/om060186w","","","0.71073","MoKα","","0.0849","0.0528","","","0.0956","0.11","","","","","","1.009","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075290","8.8571","0.0002","20.297","0.0004","21.4132","0.0004","90","","90","","90","","3849.51","0.14","153","","","","","","","","","","Peters laboratory","7","P 21 21 21","P 2ac 2ab","19","","","","- C44 H46 Fe I N2 P Pd -","- C44 H46 Fe I N2 P Pd -","- C176 H184 Fe4 I4 N8 P4 Pd4 -","4","1","","Peters, René; Xin, Zhuo-qun; Fischer, Daniel F.; Schweizer, W. Bernd","Synthesis and Diastereoselectiveortho-Lithiation/Cyclopalladation of Enantiopure [2-Imidazolyl]-1‘,2‘,3‘,4‘,5‘-pentamethylferrocenes and -1‘,2‘,3‘,4‘,5‘-pentaphenylferrocenes","Organometallics","2006","25","12","2917","","10.1021/om060187o","","","0.71073","MoKα","","0.0605","0.056","","","0.1543","0.1612","","","","","","1.285","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075291","33.464","0.012","13.172","0.005","19.356","0.007","90","","108.274","0.006","90","","8102","5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C80 H124 Na4 O2 Zr4 -","- C80 H124 Na4 O2 Zr4 -","- C320 H496 Na16 O8 Zr16 -","4","0.5","","Wang, Yuzhong; Quillian, Brandon; Wei, Pingrong; Wannere, Chaitanya S.; Schleyer, Paul v. R.; Robinson, Gregory H.","A Self-Assembled Organometallic Sphere: [{(t-BuC5H4)(t-BuC5H3)Zr(μ-H)Na}2]4","Organometallics","2006","25","13","3286","","10.1021/om0601899","","","0.71073","MoKα","","0.1989","0.0752","","","0.1712","0.2402","","","","","","1.032","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075292","30.6848","0.0012","30.6848","0.0012","33.474","0.002","90","","90","","90","","31518","3","273","2","273","2","","","","","","","","4","I 41/a c d :2","-I 4bd 2c","142","","","","- C158 H224 Na8 Zr8 -","- C158 H208 Na8 Zr8 -","- C1264 H1664 Na64 Zr64 -","8","0.25","","Wang, Yuzhong; Quillian, Brandon; Wei, Pingrong; Wannere, Chaitanya S.; Schleyer, Paul v. R.; Robinson, Gregory H.","A Self-Assembled Organometallic Sphere: [{(t-BuC5H4)(t-BuC5H3)Zr(μ-H)Na}2]4","Organometallics","2006","25","13","3286","","10.1021/om0601899","","","0.71073","MoKα","","0.0833","0.0397","","","0.1001","0.1541","","","","","","1.117","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075293","11.3362","0.0017","26.444","0.004","21.509","0.003","90","","91.964","0.002","90","","6444.1","1.6","113.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C53 H100 O12 P2 Pt Si7 -","- C53 H100 O12 P2 Pt Si7 -","- C212 H400 O48 P8 Pt4 Si28 -","4","1","","Mintcheva, Neli; Tanabe, Makoto; Osakada, Kohtaro","Preparation and Structure of New Phenylplatinum Complexes Containing Silsesquioxane as a Monodentate or Bidentate Ligand","Organometallics","2006","25","15","3776","","10.1021/om060192s","","","0.7107","MoKα","","","0.0368","","","","0.1017","","","","","","0.939","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075294","13.58","0.002","13.659","0.002","19.933","0.003","71.799","0.006","73.423","0.006","68.216","0.006","3200.9","0.8","113.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C46 H100 O12 P2 Pt Si7 -","- C46 H100 O12 P2 Pt Si7 -","- C92 H200 O24 P4 Pt2 Si14 -","2","1","","Mintcheva, Neli; Tanabe, Makoto; Osakada, Kohtaro","Preparation and Structure of New Phenylplatinum Complexes Containing Silsesquioxane as a Monodentate or Bidentate Ligand","Organometallics","2006","25","15","3776","","10.1021/om060192s","","","0.7107","MoKα","","","0.0385","","","","0.1093","","","","","","1.063","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075295","25.81","0.006","13.462","0.003","24.976","0.006","90","","114.184","0.003","90","","7916","3","293.1","","","","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C77 H99 Ag O12 P2 Pt Si7 -","- C77 H89 Ag O12 P2 Pt Si7 -","- C308 H356 Ag4 O48 P8 Pt4 Si28 -","4","1","","Mintcheva, Neli; Tanabe, Makoto; Osakada, Kohtaro","Preparation and Structure of New Phenylplatinum Complexes Containing Silsesquioxane as a Monodentate or Bidentate Ligand","Organometallics","2006","25","15","3776","","10.1021/om060192s","","","0.7107","MoKα","","","0.0478","","","","0.1375","","","","","","1.044","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075296","12.7836","0.0019","27.027","0.004","23.001","0.004","90","","90.52","0.003","90","","7947","2","113.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C73 H106 Ag O12 P2 Pt Si7 -","- C73.5 H88 Ag O12 P2 Pt Si7 -","- C294 H352 Ag4 O48 P8 Pt4 Si28 -","4","1","","Mintcheva, Neli; Tanabe, Makoto; Osakada, Kohtaro","Preparation and Structure of New Phenylplatinum Complexes Containing Silsesquioxane as a Monodentate or Bidentate Ligand","Organometallics","2006","25","15","3776","","10.1021/om060192s","","","0.7107","MoKα","","","0.0732","","","","0.2217","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075297","8.792","0.003","14.694","0.004","15.298","0.004","90","","100.397","0.003","90","","1943.9","1","113.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H42 O2 P2 Pt2 -","- C48 H42 O2 P2 Pt2 -","- C96 H84 O4 P4 Pt4 -","2","0.5","","Mintcheva, Neli; Tanabe, Makoto; Osakada, Kohtaro","Preparation and Structure of New Phenylplatinum Complexes Containing Silsesquioxane as a Monodentate or Bidentate Ligand","Organometallics","2006","25","15","3776","","10.1021/om060192s","","","0.7107","MoKα","","","0.0346","","","","0.0864","","","","","","0.943","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075298","10.977","0.002","19.155","0.004","20.287","0.004","90","","90","","90","","4265.6","1.5","263","2","263","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C43 H40 F3 N3 O9 Re S -","- C43 H35 F3 N3 O9 Re S -","- C172 H140 F12 N12 O36 Re4 S4 -","4","1","","Lo, Kenneth Kam-Wing; Tsang, Keith Hing-Kit; Zhu, Nianyong","Luminescent Tricarbonylrhenium(I) Polypyridine Estradiol Conjugates: Synthesis, Crystal Structure, and Photophysical, Electrochemical, and Protein-Binding Properties","Organometallics","2006","25","13","3220","","10.1021/om060193k","","","0.71073","MoKα","","0.0408","0.0283","","","0.0611","0.0648","","","","","","0.947","","","","has coordinates,has disorder","178641","2020-10-21","18:00:00",""
"4075299","7.8852","0.0005","12.1962","0.0008","16.7171","0.0011","90","","102.449","0.001","90","","1569.88","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H20 B10 O -","- C11 H20 B10 O -","- C44 H80 B40 O4 -","4","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.0771","0.0602","","","0.1738","0.1898","","","","","","1.023","","","","has coordinates","178641","2020-10-21","18:00:00",""
"4075300","12.8641","0.0006","12.9076","0.0006","18.1202","0.0008","90","","90","","90","","3008.8","0.2","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H18 B10 -","- C11 H18 B10 -","- C88 H144 B80 -","8","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.0808","0.0577","","","0.163","0.1889","","","","","","1.039","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075301","22.7062","0.0011","13.0574","0.0007","21.107","0.001","90","","90.127","0.001","90","","6257.9","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H20 B10 O -","- C11 H20 B10 O -","- C176 H320 B160 O16 -","16","2","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.0924","0.0625","","","0.1801","0.2097","","","","","","1.091","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075302","7.1706","0.0005","19.5461","0.0014","10.7745","0.0007","90","","98.132","0.001","90","","1494.94","0.18","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H18 B10 -","- C11 H18 B10 -","- C44 H72 B40 -","4","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.1004","0.0619","","","0.1585","0.1949","","","","","","1.049","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075303","45.89","0.004","10.9493","0.0009","35.572","0.003","90","","121.648","0.002","90","","15216","2","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C56 H102 B20 Cl Er2 Na O8.5 -","- C56 H102 B20 Cl Er2 Na O8.5 -","- C448 H816 B160 Cl8 Er16 Na8 O68 -","8","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.1181","0.0831","","","0.242","0.2602","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075304","10.677","0.002","13.46","0.003","15.145","0.003","100.01","0.03","108.77","0.03","100.24","0.03","1964.6","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C62 H114 B20 Na6 O10 -","- C62 H114 B20 Na6 O10 -","- C62 H114 B20 Na6 O10 -","1","0.5","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.1133","0.099","","","0.263","0.2843","","","","","","1.115","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075305","17.4931","0.0008","34.2786","0.0014","46.1932","0.0018","90","","90","","90","","27699","2","293","2","293","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C42 H74 B20 Cl Na O5 Y2 -","- C41 H50 B20 Cl Na O5 Y2 -","- C656 H800 B320 Cl16 Na16 O80 Y32 -","16","0.5","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.1454","0.0874","","","0.2747","0.2999","","","","","","0.946","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075306","17.5472","0.0008","34.6509","0.0015","46.269","0.002","90","","90","","90","","28133","2","293","2","293","2","","","","","","","","7","F d d d :2","-F 2uv 2vw","70","","","","- C42 H74 B20 Cl Er2 Na O5 -","- C41 H66 B20 Cl Er2 Na O5 -","- C656 H1056 B320 Cl16 Er32 Na16 O80 -","16","0.5","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.1448","0.0716","","","0.2324","0.2754","","","","","","0.978","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075307","33.105","0.006","40.435","0.007","17.226","0.003","90","","90","","90","","23059","7","293","2","293","2","","","","","","","","6","F d d 2","F 2 -2d","43","","","","- C45 H78 B21 Er2 Na O4 -","- C45 H74 B21 Er2 Na O4 -","- C720 H1184 B336 Er32 Na16 O64 -","16","1","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.1297","0.0673","","","0.1531","0.2014","","","","","","1.044","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075308","16.917","0.002","13.1127","0.0018","17.237","0.002","90","","101.292","0.003","90","","3749.6","0.8","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H114 B20 Er2 Na4 O10 -","- C61 H82 B20 Er2 Na4 O10 -","- C122 H164 B40 Er4 Na8 O20 -","2","0.5","","Shen, Hao; Chan, Hoi-Shan; Xie, Zuowei","Synthesis and Structural Characterization of New Carboranyl-Indenyl Ligands and Their Lanthanide Complexes","Organometallics","2006","25","10","2617","","10.1021/om0601955","","","0.71073","MoKα","","0.07","0.039","","","0.1051","0.1377","","","","","","1.098","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075309","13.525","0.004","22.096","0.006","22.507","0.006","65.395","0.005","78.125","0.005","87.47","0.005","5978","3","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.75 H67.75 B F15 N3 Sc -","- C58.75 H67.75 B F15 N3 Sc -","- C235 H271 B4 F60 N12 Sc4 -","4","2","","Knight, Lisa K.; Piers, Warren E.; McDonald, Robert","β-Diketiminato Scandium Chemistry: Attempted Deprotonation of Cationic Amido Complexes","Organometallics","2006","25","13","3289","","10.1021/om060197p","","","0.71073","MoKα","","0.1107","0.0714","","","0.1853","0.2136","","","","","","0.986","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075310","8.938","0.004","9.254","0.003","26.623","0.007","84.03","0.03","86.14","0.04","86.4","0.03","2181.7","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","C18-bimyAgCl","","","- C43 H78 Ag Cl N2 -","- C43 H78 Ag Cl N2 -","- C86 H156 Ag2 Cl2 N4 -","2","1","","Lee, C. K.; Vasam, Chandra Sekhar; Huang, T. W.; Wang, H. M. J.; Yang, R. Y.; Lee, C. S.; Lin, Ivan J. B.","Silver(I) N-Heterocyclic Carbenes with Long N-Alkyl Chains","Organometallics","2006","25","15","3768","","10.1021/om060198h","","","0.71073","MoKα","","0.0808","0.047","","","0.0976","0.1103","","","","","","1.029","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075311","18.39","0.002","17.075","0.0017","18.536","0.004","90","","98.827","0.012","90","","5751.5","1.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H92 Ag2 Br2 N4 -","- C54 H92 Ag2 Br2 N4 -","- C216 H368 Ag8 Br8 N16 -","4","1","","Lee, C. K.; Vasam, Chandra Sekhar; Huang, T. W.; Wang, H. M. J.; Yang, R. Y.; Lee, C. S.; Lin, Ivan J. B.","Silver(I) N-Heterocyclic Carbenes with Long N-Alkyl Chains","Organometallics","2006","25","15","3768","","10.1021/om060198h","","","0.71073","MoKα","","0.2121","0.075","","","0.1496","0.1961","","","","","","1.032","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075312","22.21","0.004","16.383","0.003","9.2619","0.0018","90","","99.055","0.004","90","","3328.1","1.1","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H120 Ag2 Cl2 N4 -","- C62 H120 Ag2 Cl2 N4 -","- C124 H240 Ag4 Cl4 N8 -","2","0.5","","Lee, C. K.; Vasam, Chandra Sekhar; Huang, T. W.; Wang, H. M. J.; Yang, R. Y.; Lee, C. S.; Lin, Ivan J. B.","Silver(I) N-Heterocyclic Carbenes with Long N-Alkyl Chains","Organometallics","2006","25","15","3768","","10.1021/om060198h","","","0.71073","MoKα","","0.0388","0.0294","","","0.0773","0.0812","","","","","","1.061","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075313","9.029","0.002","15.964","0.001","14.56","0.001","90","","90","","90","","2098.7","0.5","293","2","293","2","","","","","","","","5","P b c n","-P 2n 2ab","60","Et2-imyAgCl","","","- C14 H24 Ag2 Cl2 N4 -","- C14 H24 Ag2 Cl2 N4 -","- C56 H96 Ag8 Cl8 N16 -","4","0.5","","Lee, C. K.; Vasam, Chandra Sekhar; Huang, T. W.; Wang, H. M. J.; Yang, R. Y.; Lee, C. S.; Lin, Ivan J. B.","Silver(I) N-Heterocyclic Carbenes with Long N-Alkyl Chains","Organometallics","2006","25","15","3768","","10.1021/om060198h","","","0.71073","MoKα","","0.0684","0.054","","","0.133","0.1455","","","","","","1.029","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075314","9.2283","0.0015","17.06","0.003","6.7156","0.0011","90","","105.848","0.002","90","","1017.1","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Me2-bimyAgBr","","","- C18 H20 Ag2 Br2 N4 -","- C18 H20 Ag2 Br2 N4 -","- C36 H40 Ag4 Br4 N8 -","2","0.5","","Lee, C. K.; Vasam, Chandra Sekhar; Huang, T. W.; Wang, H. M. J.; Yang, R. Y.; Lee, C. S.; Lin, Ivan J. B.","Silver(I) N-Heterocyclic Carbenes with Long N-Alkyl Chains","Organometallics","2006","25","15","3768","","10.1021/om060198h","","","0.71073","MoKα","","0.1392","0.0995","","","0.2617","0.3","","","","","","1.062","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075315","15.03","0.0001","15.063","0.0001","21.646","0.0002","90","","96.431","0.001","90","","4869.75","0.06","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C46 H72 F6 N6 O P Rh -","- C46 H72 F6 N6 O P Rh -","- C184 H288 F24 N24 O4 P4 Rh4 -","4","1","","Burling, Suzanne; Douglas, Susie; Mahon, Mary F.; Nama, Devendrababu; Pregosin, Paul S.; Whittlesey, Michael K.","Cationic Tris N-Heterocyclic Carbene Rhodium Carbonyl Complexes: Molecular Structures and Solution NMR Studies","Organometallics","2006","25","10","2642","","10.1021/om060202p","","","0.71073","MoKα","","0.0331","0.0286","","","0.0719","0.0755","","","","","","1.03","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075316","9.983","0.0001","12.714","0.0001","16.459","0.0001","80.367","0.001","76.2","0.001","80.032","0.001","1980.69","0.03","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H60 F6 N6 O P Rh -","- C34 H60 F6 N6 O P Rh -","- C68 H120 F12 N12 O2 P2 Rh2 -","2","1","","Burling, Suzanne; Douglas, Susie; Mahon, Mary F.; Nama, Devendrababu; Pregosin, Paul S.; Whittlesey, Michael K.","Cationic Tris N-Heterocyclic Carbene Rhodium Carbonyl Complexes: Molecular Structures and Solution NMR Studies","Organometallics","2006","25","10","2642","","10.1021/om060202p","","","0.71073","MoKα","","0.0361","0.0306","","","0.0743","0.0774","","","","","","1.046","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075317","10.511","0.0001","14.419","0.0001","15.41","0.0001","84.158","0.001","78.804","0.001","86.557","0.001","2277.22","0.03","150","2","150","2","","","","","","","","8","P -1","-P 1","2","","","","- C39 H66 Cl2 F6 N6 O P Rh -","- C39 H66 Cl2 F6 N6 O P Rh -","- C78 H132 Cl4 F12 N12 O2 P2 Rh2 -","2","1","","Burling, Suzanne; Douglas, Susie; Mahon, Mary F.; Nama, Devendrababu; Pregosin, Paul S.; Whittlesey, Michael K.","Cationic Tris N-Heterocyclic Carbene Rhodium Carbonyl Complexes: Molecular Structures and Solution NMR Studies","Organometallics","2006","25","10","2642","","10.1021/om060202p","","","0.71073","MoKα","","0.0348","0.0305","","","0.0756","0.0778","","","","","","1.04","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075318","14.4708","0.0009","15.282","0.0008","17.4377","0.0011","69.479","0.003","77.378","0.003","61.798","0.003","3176.3","0.3","173","2","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C67 H68 B Cl6 O P Pd S -","- C67 H68 B Cl6 O P Pd S -","- C134 H136 B2 Cl12 O2 P2 Pd2 S2 -","2","1","","Emslie, David J. H.; Blackwell, James. M.; Britten, James F.; Harrington, Laura E.","A Zwitterionic Palladium(II) η3-Boratoxypentadienyl Complex: Cooperative Activation of Dibenzylideneacetone between Palladium and a Phosphine/Thioether/Borane Ligand","Organometallics","2006","25","10","2412","","10.1021/om0602052","","","0.71073","MoKα","","0.0824","0.0522","","","0.1209","0.1358","","","","","","1.029","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075319","17.465","0.007","15.145","0.007","17.87","0.008","90","","90","","90","","4727","4","293.1","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H25 F6 N2 P Pt -","- C24 H25 F6 N2 P Pt -","- C192 H200 F48 N16 P8 Pt8 -","8","1","","Suzaki, Yuji; Osakada, Kohtaro","Chemical Properties of Mononuclear and Dinuclear Phenylplatinum(II) Hydroxo Complexes with Cod Ligands. Transmetalation of Arylboronic Acids, Coupling of the Phenyl Ligands, and Carbonylation","Organometallics","2006","25","13","3251","","10.1021/om060206u","","","0.7107","MoKα","","","0.0418","","","","0.0762","","","","","","1.055","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075320","8.8868","0.001","12.4139","0.0014","13.2544","0.0016","90","","92.9672","0.0014","90","","1460.3","0.3","113.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 I O Pt -","- C15 H17 I O Pt -","- C60 H68 I4 O4 Pt4 -","4","1","","Suzaki, Yuji; Osakada, Kohtaro","Chemical Properties of Mononuclear and Dinuclear Phenylplatinum(II) Hydroxo Complexes with Cod Ligands. Transmetalation of Arylboronic Acids, Coupling of the Phenyl Ligands, and Carbonylation","Organometallics","2006","25","13","3251","","10.1021/om060206u","","","0.7107","MoKα","","","0.0271","","","","0.0412","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075321","14.271","0.004","15.302","0.005","14.92","0.005","90","","91.69","0.02","90","","3256.7","1.8","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H43 Al Cl4 Mn3 O8 -","- C19 H43 Al Cl4 Mn3 O8 -","- C76 H172 Al4 Cl16 Mn12 O32 -","4","1","","Jerzykiewicz, Lucjan B.; Utko, Józef; Sobota, Piotr","Structural Characterization of Manganese(II) Compounds with Methylalumoxane (MAO) and AlMe2Units","Organometallics","2006","25","20","4924","","10.1021/om060207m","","","0.71073","MoKα","","0.068","0.0442","","","0.0968","0.1027","","","","","","1.012","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075322","8.995","0.003","9.55","0.003","15.102","0.005","90.09","0.02","90.27","0.02","112.26","0.02","1200.6","0.7","100","1","100","1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H39 Al3 Mn O7 -","- C15 H39 Al3 Mn O7 -","- C30 H78 Al6 Mn2 O14 -","2","1","","Jerzykiewicz, Lucjan B.; Utko, Józef; Sobota, Piotr","Structural Characterization of Manganese(II) Compounds with Methylalumoxane (MAO) and AlMe2Units","Organometallics","2006","25","20","4924","","10.1021/om060207m","","","0.71073","MoKα","","0.0382","0.0326","","","0.0718","0.0741","","","","","","1.078","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075323","9.4134","0.0019","32.694","0.007","13.215","0.003","90","","110.86","0.03","90","","3800.5","1.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H56 B10 Ru Si4 -","- C26 H56 B10 Ru Si4 -","- C104 H224 B40 Ru4 Si16 -","4","1","","Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei","Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NCCH3)2with Me3SiC⋮CR. Synthesis and Structural Characterization of Mononuclear Ruthenium Bis(vinylidene) and Vinylvinylidene Complexes","Organometallics","2006","25","11","2719","","10.1021/om060211y","","","0.71073","MoKα","","0.0602","0.0508","","","0.1317","0.1381","","","","","","1.11","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075324","18.2566","0.0009","10.5525","0.0005","22.7478","0.0011","90","","90.27","0.001","90","","4382.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H60 B20 Ru2 Si2 -","- C30 H60 B20 Ru2 Si2 -","- C120 H240 B80 Ru8 Si8 -","4","1","","Sun, Yi; Chan, Hoi-Shan; Dixneuf, Pierre H.; Xie, Zuowei","Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NCCH3)2with Me3SiC⋮CR. Synthesis and Structural Characterization of Mononuclear Ruthenium Bis(vinylidene) and Vinylvinylidene Complexes","Organometallics","2006","25","11","2719","","10.1021/om060211y","","","0.71073","MoKα","","0.0383","0.0275","","","0.0696","0.0735","","","","","","1.048","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075325","12.859","0.0006","15.3673","0.0008","17.4863","0.0009","93.805","0.002","100.624","0.002","103.744","0.002","3276.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H54 B5 Ir Ru2 -","- C30 H54 B5 Ir Ru2 -","- C120 H216 B20 Ir4 Ru8 -","4","2","","Mavunkal, Ipe J.; Noll, Bruce C.; Meijboom, Reinout; Muller, Alfred; Fehlner, Thomas P.","Novel Approach to Multimetal Metallaborane Clusters. Synthesis of Hypoelectronicnido-Cp*3IrRu2B5H9from the Reaction ofarachno-Cp*IrB3H9withnido-(Cp*RuH)2B3H7","Organometallics","2006","25","12","2906","","10.1021/om060213i","","x-ray","0.71073","MoKα","","","0.03","","","","0.074","","","","","","1.034","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075326","8.47","0.0017","10.93","0.002","18.24","0.004","90.39","0.03","94.38","0.03","110.44","0.03","1576.7","0.6","100","2","100","2","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C30 H50 B5 Ir Ru2 -","- C30 H50 B5 Ir Ru2 -","- C60 H100 B10 Ir2 Ru4 -","2","1","","Mavunkal, Ipe J.; Noll, Bruce C.; Meijboom, Reinout; Muller, Alfred; Fehlner, Thomas P.","Novel Approach to Multimetal Metallaborane Clusters. Synthesis of Hypoelectronicnido-Cp*3IrRu2B5H9from the Reaction ofarachno-Cp*IrB3H9withnido-(Cp*RuH)2B3H7","Organometallics","2006","25","12","2906","","10.1021/om060213i","","x-ray","0.71073","MoKα","","0.0548","0.0526","","","0.1502","0.1529","","","","","","1.09","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075327","8.4126","0.0005","11.0513","0.0007","11.2962","0.0008","74.006","0.003","73.075","0.003","85.554","0.003","965.83","0.11","123","2","123","2","","","","","","","","6","P 1","P 1","1","","","","- C38 H67 Cr Mg N4 Na -","- C38 H67 Cr Mg N4 Na -","- C38 H67 Cr Mg N4 Na -","1","1","","Andrikopoulos, Prokopis C.; Armstrong, David R.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.","Synergic Para-Directed Monometalation of Bis(toluene)chromium by Alkali-Metal-Mediated Magnesiation","Organometallics","2006","25","10","2415","","10.1021/om060216v","","","0.71073","MoKα","","0.0974","0.064","","","0.1314","0.1487","","","","","","1.088","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075328","15.395","0.003","20.705","0.004","23.424","0.005","112.88","0.03","108.73","0.03","91.46","0.03","6417","3","243","2","243","2","","","","","","","","8","P -1","-P 1","2","","","","- C105 H128 Cl18 F12 N6 O7 P2 Pt2 -","- C105 H122 Cl18 F12 N6 O7 P2 Pt2 -","- C210 H244 Cl36 F24 N12 O14 P4 Pt4 -","2","1","","Lo, Hiu-Suet; Yip, Sung-Kong; Wong, Keith Man-Chung; Zhu, Nianyong; Yam, Vivian Wing-Wah","Selective Luminescence Chemosensing of Potassium Ions Based on a Novel Platinum(II) Alkynylcalix[4]crown-5 Complex","Organometallics","2006","25","15","3537","","10.1021/om060218f","","","0.71073","MoKα","","0.11","0.0664","","","0.1799","0.2006","","","","","","0.954","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075329","14.454","0.0017","17.392","0.002","17.702","0.002","109.676","0.003","108.043","0.003","106.675","0.003","3583.6","0.7","127","2","127","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H25 B F20 N4 Ti -","- C32 H25 B F20 N4 Ti -","- C128 H100 B4 F80 N16 Ti4 -","4","2","","Aneetha, Halikhedkar; Basuli, Falguni; Bollinger, John; Huffman, John C.; Mindiola, Daniel J.","Ti(NMe2)4and [HNMe2Ph][B(C6F5)4]: A Convenient Blend for Effective Catalytic Carboamination of Alkynes","Organometallics","2006","25","10","2402","","10.1021/om0602207","","","0.71073","MoKα","","0.0575","0.0371","","","0.0922","0.1066","","","","","","1.014","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075330","11.516","0.002","13.155","0.003","16.474","0.003","88.869","0.005","73.304","0.005","86.209","0.005","2385.3","0.8","124","2","124","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H44 B F20 N5 Ti -","- C44 H44 B F20 N5 Ti -","- C88 H88 B2 F40 N10 Ti2 -","2","1","","Aneetha, Halikhedkar; Basuli, Falguni; Bollinger, John; Huffman, John C.; Mindiola, Daniel J.","Ti(NMe2)4and [HNMe2Ph][B(C6F5)4]: A Convenient Blend for Effective Catalytic Carboamination of Alkynes","Organometallics","2006","25","10","2402","","10.1021/om0602207","","","0.71073","MoKα","","0.1005","0.0474","","","0.0925","0.1061","","","","","","0.86","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075331","11.2101","0.0016","11.3142","0.0016","30.803","0.004","90","","93.101","0.003","90","","3901.1","0.9","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H60 Cl N O P2 Ru -","- C40 H56 Cl N O P2 Ru -","- C160 H224 Cl4 N4 O4 P8 Ru4 -","4","1","","Buil, María L.; Esteruelas, Miguel A.; Goni, Eva; Oliván, Montserrat; Oñate, Enrique","Displacement of Phenyl and Styryl Ligands by Benzophenone Imine and 2-Vinylpyridine on Ruthenium and Osmium","Organometallics","2006","25","12","3076","","10.1021/om060222r","","","0.71073","MoKα","","0.0654","0.0369","","","0.0678","0.071","","","","","","0.898","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075332","9.9565","0.0019","18.275","0.003","17.73","0.003","90","","96.908","0.003","90","","3202.6","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C32 H52 Cl N O Os P2 -","- C32 H52 Cl N O Os P2 -","- C128 H208 Cl4 N4 O4 Os4 P8 -","4","1","","Buil, María L.; Esteruelas, Miguel A.; Goni, Eva; Oliván, Montserrat; Oñate, Enrique","Displacement of Phenyl and Styryl Ligands by Benzophenone Imine and 2-Vinylpyridine on Ruthenium and Osmium","Organometallics","2006","25","12","3076","","10.1021/om060222r","","","0.71073","MoKα","","0.0222","0.0188","","","0.0394","0.0399","","","","","","0.991","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075333","19.639","0.004","9.7366","0.0017","20.438","0.004","90","","110.208","0.003","90","","3667.5","1.2","100","2","100","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C35.25 H58 Cl N O P2 Ru -","- C35.25 H55 Cl N O P2 Ru -","- C141 H220 Cl4 N4 O4 P8 Ru4 -","4","2","","Buil, María L.; Esteruelas, Miguel A.; Goni, Eva; Oliván, Montserrat; Oñate, Enrique","Displacement of Phenyl and Styryl Ligands by Benzophenone Imine and 2-Vinylpyridine on Ruthenium and Osmium","Organometallics","2006","25","12","3076","","10.1021/om060222r","","","0.71073","MoKα","","0.0813","0.0579","","","0.1279","0.1368","","","","","","0.995","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075334","15.101","0.003","9.6683","0.0019","16.621","0.003","90","","93.1","0.03","90","","2423.1","0.8","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ceriumocene","tris-cyclopentadienyl-cerium(III)","","- C15 H15 Ce -","- C15 H15 Ce -","- C120 H120 Ce8 -","8","2","","Baisch, Ulrich; Pagano, Sandro; Zeuner, Martin; Schmedt auf der Günne, Jörn; Oeckler, Oliver; Schnick, Wolfgang","Synthesis, Structure, and Dynamics of Tris(η5-cyclopentadienyl)lanthanides and Bis(η5-cyclopentadienyl)[bis(trimethylsilyl)amido]cerium(III)","Organometallics","2006","25","12","3027","","10.1021/om060226w","","","0.71073","MoKα","","0.1575","0.1069","","","0.318","0.3485","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075335","15.121","0.003","9.6696","0.0019","16.593","0.003","90","","93.04","0.03","90","","2422.7","0.8","293","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Ceriumocene","tris-cyclopentadienyl-cerium(III)","","- C15 H15 Ce -","- C15 H15 Ce -","- C120 H120 Ce8 -","8","2","","Baisch, Ulrich; Pagano, Sandro; Zeuner, Martin; Schmedt auf der Günne, Jörn; Oeckler, Oliver; Schnick, Wolfgang","Synthesis, Structure, and Dynamics of Tris(η5-cyclopentadienyl)lanthanides and Bis(η5-cyclopentadienyl)[bis(trimethylsilyl)amido]cerium(III)","Organometallics","2006","25","12","3027","","10.1021/om060226w","","","0.71073","MoKα","","0.1155","0.074","","","0.1871","0.2077","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075336","8.4303","0.0017","14.085","0.003","19.407","0.004","90","","90.02","0.03","90","","2304.4","0.8","130","","130","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Holmiumocene","tris-cyclopentadienyl-holmium(III)","","- C15 H15 Ho -","- C15 H15 Ho -","- C120 H120 Ho8 -","8","2","","Baisch, Ulrich; Pagano, Sandro; Zeuner, Martin; Schmedt auf der Günne, Jörn; Oeckler, Oliver; Schnick, Wolfgang","Synthesis, Structure, and Dynamics of Tris(η5-cyclopentadienyl)lanthanides and Bis(η5-cyclopentadienyl)[bis(trimethylsilyl)amido]cerium(III)","Organometallics","2006","25","12","3027","","10.1021/om060226w","","","0.71073","MoKα","","0.0294","0.0231","","","0.0415","0.0428","","","","","","1.028","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075337","25.125","0.006","12.386","0.003","27.917","0.006","90","","92.821","0.005","90","","8677","3","135","2","135","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C72.78 H124.56 B4 Cl1.56 F16 N5 P6 Pd2 -","- C66.783 H93.566 B4 Cl1.566 F16 N2 P6 Pd2 -","- C267.132 H374.264 B16 Cl6.264 F64 N8 P24 Pd8 -","4","1","","Raebiger, James W.; Turner, Jeffrey W.; Noll, Bruce C.; Curtis, Calvin J.; Miedaner, Alex; Cox, Brian; DuBois, Daniel L.","Electrochemical Reduction of CO2to CO Catalyzed by a Bimetallic Palladium Complex","Organometallics","2006","25","14","3345","","10.1021/om060228g","","","0.71073","MoKα","","0.1292","0.0823","","","0.2134","0.2383","","","","","","1.056","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075338","11.221","0.007","12.706","0.008","13.236","0.008","117.98","0.13","97.6","0.14","105.83","0.14","1526","4","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H31 Cl3 Ir N4 O Si -","- C24 H31 Cl3 Ir N4 O Si -","- C48 H62 Cl6 Ir2 N8 O2 Si2 -","2","1","","Vicent, Cristian; Viciano, Mónica; Mas-Marzá, Elena; Sanaú, Mercedes; Peris, Eduardo","Electrospray Ionization Mass Spectrometry Studies on the Mechanism of Hydrosilylation of Terminal Alkynes Using an N-Heterocyclic Carbene Complex of Iridium, Allow Detection/Characterization of All Reaction Intermediates⊥","Organometallics","2006","25","15","3713","","10.1021/om0602308","","","0.71073","MoKα","","0.0489","0.038","","","0.0977","0.1071","","","","","","1.104","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075339","10.3548","0.0009","10.57","0.0009","11.0764","0.001","100.971","0.002","92.398","0.002","108.656","0.002","1120.73","0.17","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 Cl3 Ir N3 -","- C21 H27 Cl3 Ir N3 -","- C42 H54 Cl6 Ir2 N6 -","2","1","","Vicent, Cristian; Viciano, Mónica; Mas-Marzá, Elena; Sanaú, Mercedes; Peris, Eduardo","Electrospray Ionization Mass Spectrometry Studies on the Mechanism of Hydrosilylation of Terminal Alkynes Using an N-Heterocyclic Carbene Complex of Iridium, Allow Detection/Characterization of All Reaction Intermediates⊥","Organometallics","2006","25","15","3713","","10.1021/om0602308","","","0.71073","MoKα","","0.0659","0.0448","","","0.117","0.1332","","","","","","1.11","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075340","17.497","0.005","14.53","0.004","16.851","0.005","90","","104.004","0.005","90","","4157","2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C90 H106 Cl2 O4 P4 Rh2 S2 -","- C90 H106 Cl2 O4 P4 Rh2 S2 -","- C180 H212 Cl4 O8 P8 Rh4 S4 -","2","0.5","","Jeon, You-Moon; Heo, Jungseok; Brown, Aaron M.; Mirkin, Chad A.","Triple-Decker Complexes Formed via the Weak Link Approach.","Organometallics","2006","25","11","2729","2732","10.1021/om0602310","","","0.71073","MoKα","","0.0803","0.0443","","","0.1077","0.1267","","","","","","1.004","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075341","12.6015","0.001","16.0906","0.0013","17.2636","0.0014","110.401","0.001","105.726","0.001","102.03","0.001","2974.8","0.4","153","2","153","2","","","","","","","","8","P -1","-P 1","2","","","","- C130 H86 B2 F40 O2 P4 Rh2 S2 -","- C130 H86 B2 F40 O2 P4 Rh2 S2 -","- C130 H86 B2 F40 O2 P4 Rh2 S2 -","1","0.5","","Jeon, You-Moon; Heo, Jungseok; Brown, Aaron M.; Mirkin, Chad A.","Triple-Decker Complexes Formed via the Weak Link Approach.","Organometallics","2006","25","11","2729","2732","10.1021/om0602310","","","0.71073","MoKα","","0.0821","0.0501","","","0.1105","0.126","","","","","","0.963","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075342","10.615","0.005","29.5","0.005","19.502","0.005","90","0.005","95.533","0.005","90","0.005","6078","3","153","2","153","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","RuC60Me5Clprophos","","- C92 H41 Cl P2 Ru -","- C92 H41 Cl P2 Ru -","- C368 H164 Cl4 P8 Ru4 -","4","2","","Matsuo, Yutaka; Mitani, Yuichi; Zhong, Yu-Wu; Nakamura, Eiichi","Remote Chirality Transfer within a Coordination Sphere by the Use of a Ligand Possessing a Concave Cavity","Organometallics","2006","25","11","2826","2832","10.1021/om060234c","","x-ray","0.71069","MoKα","","0.0847","0.0776","","","0.2109","0.2228","","","","","","1.038","","","","has coordinates","209802","2020-10-21","18:00:00",""
"4075343","10.586","0.0003","26.756","0.0013","21.893","0.0009","90","","94.366","0.003","90","","6183","0.4","153","2","153","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C99 H49 Br P2 Ru -","- C99 H49 Br P2 Ru -","- C396 H196 Br4 P8 Ru4 -","4","2","","Matsuo, Yutaka; Mitani, Yuichi; Zhong, Yu-Wu; Nakamura, Eiichi","Remote Chirality Transfer within a Coordination Sphere by the Use of a Ligand Possessing a Concave Cavity","Organometallics","2006","25","11","2826","2832","10.1021/om060234c","","x-ray","0.71073","MoKα","","0.062","0.057","","","0.1461","0.1517","","","","","","1.039","","","","has coordinates","209802","2020-10-21","18:00:00",""
"4075344","12.919","0.0009","23.937","0.0018","17.951","0.0009","90","","99.741","0.004","90","","5471.2","0.6","153","2","153","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","RuC60Me5Cldppe","","- C91 H39 Cl P2 Ru -","- C91 H39 Cl P2 Ru -","- C364 H156 Cl4 P8 Ru4 -","4","1","","Matsuo, Yutaka; Mitani, Yuichi; Zhong, Yu-Wu; Nakamura, Eiichi","Remote Chirality Transfer within a Coordination Sphere by the Use of a Ligand Possessing a Concave Cavity","Organometallics","2006","25","11","2826","","10.1021/om060234c","","x-ray","0.71073","MoKα","","0.0808","0.0714","","","0.1865","0.1979","","","","","","1.061","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075345","7.0881","0.0006","15.1536","0.0013","17.1405","0.0015","65.152","0.002","88.468","0.002","84.486","0.002","1662.7","0.2","178","2","178","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H37 Fe N3 Pt Si2 -","- C34 H37 Fe N3 Pt Si2 -","- C68 H74 Fe2 N6 Pt2 Si4 -","2","1","","Packheiser, Rico; Walfort, Bernhard; Lang, Heinrich","Heterobi- and Heterotrimetallic Transition Metal Complexes with Carbon-Rich Bridging Units","Organometallics","2006","25","19","4579","","10.1021/om0602355","","","0.71073","MoKα","","0.0643","0.0611","","","0.1598","0.1628","","","","","","1.118","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075346","18.6503","0.001","16.8592","0.0009","19.1245","0.001","90","","116.716","0.001","90","","5371.4","0.5","298","2","298","2","","","","","","","","9","P 1 21/c 1","-P 2ybc","14","","","","- C48 H60 Cu F6 Fe N2 P Si4 Ti -","- C48 H60 Cu F6 Fe N2 P Si4 Ti -","- C192 H240 Cu4 F24 Fe4 N8 P4 Si16 Ti4 -","4","1","","Packheiser, Rico; Walfort, Bernhard; Lang, Heinrich","Heterobi- and Heterotrimetallic Transition Metal Complexes with Carbon-Rich Bridging Units","Organometallics","2006","25","19","4579","","10.1021/om0602355","","","0.71073","MoKα","","0.1308","0.0641","","","0.1424","0.1715","","","","","","1.011","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075347","23.915","0.002","6.8674","0.0006","10.0743","0.0009","90","","90","","90","","1654.5","0.2","203","2","203","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H16 Fe N2 -","- C22 H16 Fe N2 -","- C88 H64 Fe4 N8 -","4","1","","Packheiser, Rico; Walfort, Bernhard; Lang, Heinrich","Heterobi- and Heterotrimetallic Transition Metal Complexes with Carbon-Rich Bridging Units","Organometallics","2006","25","19","4579","","10.1021/om0602355","","","0.71073","MoKα","","0.0677","0.0396","","","0.082","0.0918","","","","","","1.031","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075348","8.609","0.003","19.667","0.006","13.705","0.003","90","","90.257","0.003","90","","2320.4","1.2","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Fe2 O6.25 S Se -","- C15 H11 Fe2 O6.25 S Se -","- C60 H44 Fe8 O25 S4 Se4 -","4","1","","Song, Li-Cheng; Zeng, Guang-Huai; Mei, Shu-Zhen; Lou, Shao-Xia; Hu, Qing-Mei","Synthetic and Structural Investigations on Double- and Single-Butterfly Fe/E (E = S, Se) Cluster Complexes Containing Diselenolate Ligands","Organometallics","2006","25","14","3468","","10.1021/om060238h","","","0.71073","MoKα","","0.1238","0.062","","","0.1887","0.2204","","","","","","1.109","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075349","10.707","0.007","11.391","0.007","13.432","0.009","96.136","0.012","97.556","0.01","115.678","0.01","1438.8","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Fe2 O6 S2 Se2 -","- C24 H20 Fe2 O6 S2 Se2 -","- C48 H40 Fe4 O12 S4 Se4 -","2","1","","Song, Li-Cheng; Zeng, Guang-Huai; Mei, Shu-Zhen; Lou, Shao-Xia; Hu, Qing-Mei","Synthetic and Structural Investigations on Double- and Single-Butterfly Fe/E (E = S, Se) Cluster Complexes Containing Diselenolate Ligands","Organometallics","2006","25","14","3468","","10.1021/om060238h","","","0.71073","MoKα","","0.0952","0.0507","","","0.11","0.128","","","","","","1.009","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075350","15.4164","0.0009","13.1723","0.0007","21.0485","0.0004","90","","90","","90","","4274.3","0.3","193.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C27 H31 N O3 Ru -","- C27 H31 N O3 Ru -","- C216 H248 N8 O24 Ru8 -","8","1","","Ura, Yasuyuki; Utsumi, Taka-aki; Tsujita, Hiroshi; Wada, Kenji; Kondo, Teruyuki; Mitsudo, Take-aki","Formation of Divalent Ruthenacycles via Oxidative Cyclization of 1,3,5-Cyclooctatriene with Maleic Anhydride or Maleimides: An Intermediate for the Transition Metal-Mediated [6 + 2] Cycloaddition of 1,3,5-Trienes and Alkenes","Organometallics","2006","25","12","2934","","10.1021/om060242t","","","0.71069","MoKα","","","0.0442","","","","0.1126","","","","","","1.047","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075351","10.4811","0.0013","15.523","0.003","24.0006","0.0012","90.466","0.007","91.225","0.003","93.021","0.008","3898.4","0.9","143.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C45 H43 Cl2 N O2 P2 Ru -","- C45 H43 Cl2 N O2 P2 Ru -","- C180 H172 Cl8 N4 O8 P8 Ru4 -","4","2","","Ura, Yasuyuki; Utsumi, Taka-aki; Tsujita, Hiroshi; Wada, Kenji; Kondo, Teruyuki; Mitsudo, Take-aki","Formation of Divalent Ruthenacycles via Oxidative Cyclization of 1,3,5-Cyclooctatriene with Maleic Anhydride or Maleimides: An Intermediate for the Transition Metal-Mediated [6 + 2] Cycloaddition of 1,3,5-Trienes and Alkenes","Organometallics","2006","25","12","2934","","10.1021/om060242t","","","0.71069","MoKα","","","0.0732","","","","0.1499","","","","","","0.978","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075352","8.017","0.002","21.124","0.006","15.011","0.004","90","","98.755","0.005","90","","2512.5","1.2","213","2","213","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 F2 Ir O -","- C12 H15 F2 Ir O -","- C96 H120 F16 Ir8 O8 -","8","2","","Bourgeois, Cheryl J.; Hughes, Russell P.; Yuan, Jian; DiPasquale, Antonio G.; Rheingold, Arnold L.","α- and β-Fluorine Elimination Reactions Induced by Reduction of Iridium−Fluoroalkyl Complexes. Selective Formation of Fluoroalkylidene and Hydrofluoroalkene Ligands","Organometallics","2006","25","12","2908","","10.1021/om060243l","","","0.71073","MoKα","","0.0557","0.0422","","","0.1011","0.1072","","","","","","1.036","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075353","8.303","0.0014","8.76","0.0015","11.424","0.002","81.286","0.002","88.961","0.002","75.301","0.002","794.3","0.2","208","2","208","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H15 F6 Ir O -","- C14 H15 F6 Ir O -","- C28 H30 F12 Ir2 O2 -","2","1","","Bourgeois, Cheryl J.; Hughes, Russell P.; Yuan, Jian; DiPasquale, Antonio G.; Rheingold, Arnold L.","α- and β-Fluorine Elimination Reactions Induced by Reduction of Iridium−Fluoroalkyl Complexes. Selective Formation of Fluoroalkylidene and Hydrofluoroalkene Ligands","Organometallics","2006","25","12","2908","","10.1021/om060243l","","","0.71073","MoKα","","0.0543","0.0516","","","0.1294","0.1315","","","","","","1.128","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075354","7.299","0.004","11.283","0.006","8.262","0.005","90","","103.519","0.008","90","","661.6","0.6","213","2","213","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H17 F2 Ir O -","- C13 H14 F2 Ir O -","- C26 H28 F4 Ir2 O2 -","2","0.5","","Bourgeois, Cheryl J.; Hughes, Russell P.; Yuan, Jian; DiPasquale, Antonio G.; Rheingold, Arnold L.","α- and β-Fluorine Elimination Reactions Induced by Reduction of Iridium−Fluoroalkyl Complexes. Selective Formation of Fluoroalkylidene and Hydrofluoroalkene Ligands","Organometallics","2006","25","12","2908","","10.1021/om060243l","","","0.71073","MoKα","","0.023","0.0224","","","0.0592","0.0596","","","","","","1.029","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075355","12.4487","0.0006","12.4523","0.0006","14.9992","0.0007","106.758","0.001","90.62","0.001","106.356","0.001","2125.52","0.18","153","2","153","2","","","","","","","","6","P -1","-P 1","2","(BDPPthf)Y(AlMe4)(AlMe3) toluene solvate","","","- C40.5 H69 Al2 N2 O Y -","- C40.51 H69.02 Al2 N2 O Y -","- C81.02 H138.04 Al4 N4 O2 Y2 -","2","1","","Zimmermann, Melanie; Törnroos, Karl W.; Anwander, Reiner","Implementation of Ln(AlMe4)3as Precursors in Postlanthanidocene Chemistry","Organometallics","2006","25","15","3593","","10.1021/om060244d","","","0.71073","MoKα","","0.0447","0.0344","","","0.09","0.0955","","","","","","1.039","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075356","9.5128","0.0007","10.8146","0.0008","40.644","0.003","90","","93.035","0.001","90","","4175.5","0.5","153","2","153","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(BDPPthf)La(AlMe4)(AlMe3)","","","- C37 H65 Al2 La N2 O -","- C37 H65 Al2 La N2 O -","- C148 H260 Al8 La4 N8 O4 -","4","1","","Zimmermann, Melanie; Törnroos, Karl W.; Anwander, Reiner","Implementation of Ln(AlMe4)3as Precursors in Postlanthanidocene Chemistry","Organometallics","2006","25","15","3593","","10.1021/om060244d","","","0.71073","MoKα","","0.0373","0.0297","","","0.0672","0.0691","","","","","","1.075","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075357","11.6241","0.0003","13.5892","0.0004","21.9393","0.0004","82.34","0.002","81.252","0.002","67.19","0.003","3146.87","0.15","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H76 Au2 F6 N6 O10 P4 S2 -","- C54 H76 Au2 F6 N6 O10 P4 S2 -","- C108 H152 Au4 F12 N12 O20 P8 S4 -","2","1","","Mohr, Fabian; Sanz, Sergio; Tiekink, Edward R. T.; Laguna, Mariano","Water-Soluble and Water-Stable Organometallic Gold(II) Complexes","Organometallics","2006","25","12","3084","","10.1021/om0602456","","","0.71073","MoKα","","0.094","0.057","","","0.148","0.166","","","","","","1.07","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075358","9.1207","0.0003","27.7759","0.0009","10.5276","0.0005","90","","110.201","0.001","90","","2502.96","0.17","296.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C19 H41 B N2 O P2 Pd -","- C19 H41 B N2 O P2 Pd -","- C76 H164 B4 N8 O4 P8 Pd4 -","4","1","","Suginome, Michinori; Yamamoto, Akihiko; Sasaki, Taisuke; Murakami, Masahiro","Reactions of Cyanoboranes with a Palladium−PMe3Complex: Mechanism for the Catalytic Cyanoboration of Alkynes","Organometallics","2006","25","12","2911","","10.1021/om060246y","","","0.7107","MoKα","","","0.0275","","","","0.0659","","","","","","1.024","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075359","10.5914","0.0005","13.1936","0.0006","22.4714","0.001","90","","90","","90","","3140.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H41 B10 N Ru -","- C29 H35 B10 N Ru -","- C116 H140 B40 N4 Ru4 -","4","1","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NH2Prn)2with Alkynes. Synthesis and Structural Characterization of Ruthenium Aminocarbene and Enamine Complexes","Organometallics","2006","25","14","3447","","10.1021/om060249a","","","0.71073","MoKα","","0.0651","0.0494","","","0.1193","0.1333","","","","","","1.062","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075360","10.541","0.002","20.906","0.004","16.959","0.003","90","","104.12","0.03","90","","3624.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H49 B10 N Ru -","- C36 H42 B10 N Ru -","- C144 H168 B40 N4 Ru4 -","4","1","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NH2Prn)2with Alkynes. Synthesis and Structural Characterization of Ruthenium Aminocarbene and Enamine Complexes","Organometallics","2006","25","14","3447","","10.1021/om060249a","","","0.71073","MoKα","","0.0832","0.0709","","","0.1899","0.1992","","","","","","1.164","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075361","10.743","0.002","12.86","0.003","24.952","0.005","90","","99.85","0.03","90","","3396.4","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H45 B10 N Ru -","- C31 H45 B10 N Ru -","- C124 H180 B40 N4 Ru4 -","4","1","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NH2Prn)2with Alkynes. Synthesis and Structural Characterization of Ruthenium Aminocarbene and Enamine Complexes","Organometallics","2006","25","14","3447","","10.1021/om060249a","","","0.71073","MoKα","","0.0625","0.0571","","","0.1585","0.1638","","","","","","1.124","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075362","10.486","0.002","14.769","0.003","14.983","0.003","67.5","0.03","86.25","0.03","75.3","0.03","2072.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H39 B10 Cl2 N Ru -","- C29 H39 B10 Cl2 N Ru -","- C58 H78 B20 Cl4 N2 Ru2 -","2","1","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NH2Prn)2with Alkynes. Synthesis and Structural Characterization of Ruthenium Aminocarbene and Enamine Complexes","Organometallics","2006","25","14","3447","","10.1021/om060249a","","","0.71073","MoKα","","0.0803","0.078","","","0.2458","0.2495","","","","","","1.16","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075363","10.52","0.002","12.986","0.003","15.644","0.003","112.14","0.03","95.12","0.03","92.37","0.03","1965.2","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H47 B10 Br2 N Ru -","- C36 H47 B10 Br2 N Ru -","- C72 H94 B20 Br4 N2 Ru2 -","2","1","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction of [η5:σ-Me2C(C5H4)(C2B10H10)]Ru(NH2Prn)2with Alkynes. Synthesis and Structural Characterization of Ruthenium Aminocarbene and Enamine Complexes","Organometallics","2006","25","14","3447","","10.1021/om060249a","","","0.71073","MoKα","","0.0686","0.0649","","","0.1766","0.182","","","","","","1.051","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075364","6.254","0.005","8.277","0.005","13.294","0.005","83.973","0.005","85.47","0.005","89.826","0.005","682.2","0.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H10 Cl3 Fe0.5 N2 -","- C14 H10 Cl3 Fe0.5 N2 -","- C28 H20 Cl6 Fe N4 -","2","1","","Sadhukhan, Nabanita; Patra, Sanjib K.; Sana, Kasinath; Bera, Jitendra K.","Novel Heterobimetallic Metallamacrocycles Based on the 1,1‘-Bis(1,8-naphthyrid-2-yl)ferrocene (FcNP2) Ligand: Structural Characterization of the Complexes [{M(FcNP2)}2]2+(M = CuI, AgI) and {MCl2(FcNP2)}4(M = ZnII, CoII)","Organometallics","2006","25","12","2914","","10.1021/om060252u","","","0.71069","MoKα","","0.0399","0.0354","","","0.0857","0.0883","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075365","7.5414","0.0015","13.316","0.003","14.109","0.003","93.81","0.03","95.46","0.03","93.56","0.03","1404","0.5","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H48 Cl2 Cu2 Fe2 N12 O16 -","- C56 H48 Cl2 Cu2 Fe2 N12 O16 -","- C56 H48 Cl2 Cu2 Fe2 N12 O16 -","1","0.5","","Sadhukhan, Nabanita; Patra, Sanjib K.; Sana, Kasinath; Bera, Jitendra K.","Novel Heterobimetallic Metallamacrocycles Based on the 1,1‘-Bis(1,8-naphthyrid-2-yl)ferrocene (FcNP2) Ligand: Structural Characterization of the Complexes [{M(FcNP2)}2]2+(M = CuI, AgI) and {MCl2(FcNP2)}4(M = ZnII, CoII)","Organometallics","2006","25","12","2914","","10.1021/om060252u","","","0.71073","MoKα","","0.0824","0.0526","","","0.1127","0.125","","","","","","0.971","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075366","16.9157","0.0013","7.326","0.0006","21.3936","0.0018","90","","95.01","0.002","90","","2641.1","0.4","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C56 H42 Ag2 F6 Fe2 N10 O10 S2 -","- C56 H42 Ag2 F6 Fe2 N10 O10 S2 -","- C112 H84 Ag4 F12 Fe4 N20 O20 S4 -","2","0.5","","Sadhukhan, Nabanita; Patra, Sanjib K.; Sana, Kasinath; Bera, Jitendra K.","Novel Heterobimetallic Metallamacrocycles Based on the 1,1‘-Bis(1,8-naphthyrid-2-yl)ferrocene (FcNP2) Ligand: Structural Characterization of the Complexes [{M(FcNP2)}2]2+(M = CuI, AgI) and {MCl2(FcNP2)}4(M = ZnII, CoII)","Organometallics","2006","25","12","2914","","10.1021/om060252u","","","0.71073","MoKα","","0.108","0.0594","","","0.121","0.1419","","","","","","1.015","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075367","21.268","0.005","21.268","0.005","11.459","0.005","90","","90","","90","","5183","3","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C112 H84 Cl8 Fe4 N20 Zn4 -","- C112 H84 Cl8 Fe4 N20 Zn4 -","- C224 H168 Cl16 Fe8 N40 Zn8 -","2","0.25","","Sadhukhan, Nabanita; Patra, Sanjib K.; Sana, Kasinath; Bera, Jitendra K.","Novel Heterobimetallic Metallamacrocycles Based on the 1,1‘-Bis(1,8-naphthyrid-2-yl)ferrocene (FcNP2) Ligand: Structural Characterization of the Complexes [{M(FcNP2)}2]2+(M = CuI, AgI) and {MCl2(FcNP2)}4(M = ZnII, CoII)","Organometallics","2006","25","12","2914","","10.1021/om060252u","","","0.71069","MoKα","","0.0713","0.0542","","","0.1037","0.1181","","","","","","1.092","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075368","10.06","0.002","12.41","0.001","13.713","0.005","90","","105.13","0.02","90","","1652.6","0.7","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H23 Cl2 O3 Ta -","- C14 H23 Cl2 O3 Ta -","- C56 H92 Cl8 O12 Ta4 -","4","1","","Bo, Carles; Fandos, Rosa; Feliz, Marta; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Pastor, César","facversusmerCoordination for a Tridentate Diethylene Glyclolate Ligand in Tantalum Complexes: A Combined Experimental and Theoretical Study","Organometallics","2006","25","14","3336","","10.1021/om060254e","","","0.71073","MoKα","","0.0573","0.0231","","","0.0474","0.0564","","","","","","1.004","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075369","9.423","0.0001","11.2053","0.0001","16.655","0.0001","75.192","0.001","73.809","0.001","78.027","0.001","1615.06","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H23 B F15 O4 Ta -","- C32 H23 B F15 O4 Ta -","- C64 H46 B2 F30 O8 Ta2 -","2","1","","Bo, Carles; Fandos, Rosa; Feliz, Marta; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Pastor, César","facversusmerCoordination for a Tridentate Diethylene Glyclolate Ligand in Tantalum Complexes: A Combined Experimental and Theoretical Study","Organometallics","2006","25","14","3336","","10.1021/om060254e","","","1.54178","CuKα","","0.0284","0.0265","","","0.0669","0.068","","","","","","1.045","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075370","10.414","0.002","25.139","0.004","12.841","0.007","90","","94.36","0.03","90","","3352","2","290","2","290","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H38 F6 N O10 S2 Ta -","- C26 H38 F6 N O10 S2 Ta -","- C104 H152 F24 N4 O40 S8 Ta4 -","4","1","","Bo, Carles; Fandos, Rosa; Feliz, Marta; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, María José; Pastor, César","facversusmerCoordination for a Tridentate Diethylene Glyclolate Ligand in Tantalum Complexes: A Combined Experimental and Theoretical Study","Organometallics","2006","25","14","3336","","10.1021/om060254e","","","0.71073","MoKα","","0.1734","0.0606","","","0.116","0.1449","","","","","","0.998","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075371","14.9444","0.0002","11.6289","0.0002","19.7745","0.0003","90","","90","","90","","3436.55","0.09","100","2","100","2","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C42 H31 Br O2 P2 Pd -","- C42 H31 Br O2 P2 Pd -","- C168 H124 Br4 O8 P8 Pd4 -","4","0.5","","Ma, Liqing; Woloszynek, Robert A.; Chen, Weizhong; Ren, Tong; Protasiewicz, John D.","A New Twist on Pincer Ligands and Complexes","Organometallics","2006","25","14","3301","","10.1021/om060256z","","","0.71073","MoKα","","0.0677","0.0362","","","0.0774","0.0885","","","","","","1.018","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075372","16.172","0.0007","14.2258","0.0007","16.1442","0.0008","90","","104.392","0.001","90","","3597.6","0.3","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H35 Br P2 Pd -","- C44 H35 Br P2 Pd -","- C176 H140 Br4 P8 Pd4 -","4","0.5","","Ma, Liqing; Woloszynek, Robert A.; Chen, Weizhong; Ren, Tong; Protasiewicz, John D.","A New Twist on Pincer Ligands and Complexes","Organometallics","2006","25","14","3301","","10.1021/om060256z","","","0.71073","MoKα","","0.0379","0.0301","","","0.083","0.0859","","","","","","1.032","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075373","12.6003","0.001","15.4046","0.0012","16.4304","0.0013","90","","90","","90","","3189.2","0.4","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C32 H21 B Cl2 F15 Ta -","- C32 H21 B Cl2 F15 Ta -","- C128 H84 B4 Cl8 F60 Ta4 -","4","1","","Mariott, Wesley R.; Gustafson, Laura O.; Chen, Eugene Y.-X.","Activation of Tantalocene(V) Alkyl and Alkylidene Complexes with Strong Organo Lewis Acids and Application to Polymerization Catalysis","Organometallics","2006","25","15","3721","","10.1021/om060258j","","","0.71073","MoKα","","0.028","0.0236","","","0.0495","0.0509","","","","","","1.022","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075374","19.9908","0.0011","16.7232","0.0009","20.0723","0.0011","90","","90","","90","","6710.4","0.6","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C37 H23 Al F15 Ta -","- C37 H23 Al F15 Ta -","- C296 H184 Al8 F120 Ta8 -","8","1","","Mariott, Wesley R.; Gustafson, Laura O.; Chen, Eugene Y.-X.","Activation of Tantalocene(V) Alkyl and Alkylidene Complexes with Strong Organo Lewis Acids and Application to Polymerization Catalysis","Organometallics","2006","25","15","3721","","10.1021/om060258j","","","0.71073","MoKα","","0.0398","0.0251","","","0.0587","0.0679","","","","","","1.059","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075375","12.2991","0.001","14.0265","0.0011","16.5511","0.0013","87.396","0.002","78.183","0.002","68.632","0.002","2601.3","0.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H19 Al2 Cl4 F30 Ta -","- C50 H19 Al2 Cl4 F30 Ta -","- C100 H38 Al4 Cl8 F60 Ta2 -","2","1","","Mariott, Wesley R.; Gustafson, Laura O.; Chen, Eugene Y.-X.","Activation of Tantalocene(V) Alkyl and Alkylidene Complexes with Strong Organo Lewis Acids and Application to Polymerization Catalysis","Organometallics","2006","25","15","3721","","10.1021/om060258j","","","0.71073","MoKα","","0.0408","0.0337","","","0.0928","0.0972","","","","","","1.011","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075376","18.4562","0.0014","5.0962","0.0002","19.1459","0.0016","90","","91.022","0.009","90","","1800.5","0.2","153","2","153","2","","","","","","","","2","P 1 2/c 1","-P 2yc","13","","","","- C29 H18 -","- C29 H18 -","- C116 H72 -","4","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.0465","0.0326","","","0.0794","0.0836","","","","","","0.947","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075377","12.8899","0.0011","17.0343","0.0013","18.0571","0.0013","106.81","0.008","96.169","0.009","105.422","0.009","3585","0.6","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H49 Li O4 -","- C45 H49 Li O4 -","- C180 H196 Li4 O16 -","4","2","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.1059","0.0463","","","0.091","0.1054","","","","","","0.815","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075378","12.2073","0.0006","13.4821","0.0007","23.8558","0.0014","75.144","0.006","76.299","0.006","82.717","0.006","3677.8","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C42 H49.5 Li O6.5 -","- C42 H49.5 Li O6.5 -","- C168 H198 Li4 O26 -","4","2","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.0676","0.0383","","","0.0826","0.0906","","","","","","0.876","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075379","13.8807","0.0008","20.0576","0.0008","14.8992","0.001","90","","110.98","0.007","90","","3873.1","0.4","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C59 H36 Cl2 -","- C59 H36 Cl2 -","- C236 H144 Cl8 -","4","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.0668","0.0364","","","0.0763","0.0835","","","","","","0.872","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075380","16.4719","0.0008","17.0792","0.0007","22.1152","0.0014","90","","90","","90","","6221.6","0.6","153","2","153","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C38 H38 O3 Ti -","- C38 H38 O3 Ti -","- C304 H304 O24 Ti8 -","8","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.0779","0.0472","","","0.1193","0.1306","","","","","","0.952","","","","has coordinates,has disorder","178642","2020-10-21","18:00:00",""
"4075381","12.9702","0.0006","10.6352","0.0007","18.6582","0.0009","90","","93.63","0.006","90","","2568.6","0.2","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 Cl2 O Ti -","- C32 H24 Cl2 O Ti -","- C128 H96 Cl8 O4 Ti4 -","4","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.0517","0.0321","","","0.0742","0.0796","","","","","","0.922","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075382","11.975","0.0004","23.7536","0.0007","8.4337","0.0002","90","","92.273","0.003","90","","2397.07","0.12","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H58 Cl2 O8 Ti2 -","- C50 H58 Cl2 O8 Ti2 -","- C100 H116 Cl4 O16 Ti4 -","2","0.5","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.0369","0.0298","","","0.0822","0.0847","","","","","","1.039","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075383","14.2737","0.0009","15.7569","0.0008","15.202","0.0008","90","","99.529","0.007","90","","3371.9","0.3","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H32 O3 Ti -","- C47 H32 O3 Ti -","- C188 H128 O12 Ti4 -","4","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.1121","0.0399","","","0.0608","0.0732","","","","","","0.746","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075384","10.0203","0.0005","13.5219","0.0008","14.6028","0.0008","87.455","0.007","75.017","0.006","77.62","0.006","1866.75","0.19","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H38 O3 Ti -","- C50 H38 O3 Ti -","- C100 H76 O6 Ti2 -","2","1","","Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen","Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes","Organometallics","2006","25","16","3824","","10.1021/om0602613","","","0.71073","MoKα","","0.0646","0.0363","","","0.0758","0.0823","","","","","","0.861","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075385","10.5672","0.0008","13.42","0.001","15.033","0.001","64.923","0.001","73.314","0.001","73.363","0.001","1816","0.2","100","1","100","1","","","","","","","see text","4","P -1","-P 1","2","","","","- C36 H45 La O3 -","- C36 H45 La O3 -","- C72 H90 La2 O6 -","2","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart","Lanthanum Tribenzyl Complexes as Convenient Starting Materials for Organolanthanum Chemistry","Organometallics","2006","25","14","3454","","10.1021/om060262v","","","0.71073","MoKα","","0.0251","0.0236","","","0.0657","0.0664","","","","","","1.116","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075386","19.961","0.002","15.566","0.001","26.987","0.002","90","","90","","90","","8385.2","1.2","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C49 H61 La N2 O -","- C49 H61 La N2 O -","- C392 H488 La8 N16 O8 -","8","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart","Lanthanum Tribenzyl Complexes as Convenient Starting Materials for Organolanthanum Chemistry","Organometallics","2006","25","14","3454","","10.1021/om060262v","","","0.71073","MoKα","","0.0826","0.0423","","","0.0903","0.1077","","","","","","1.025","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075387","13.599","0.001","13.605","0.001","15.016","0.001","71.147","0.001","89.847","0.001","67.519","0.001","2406","0.3","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C52 H76 La Li O5 -","- C52 H76 La Li O5 -","- C104 H152 La2 Li2 O10 -","2","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart","Lanthanum Tribenzyl Complexes as Convenient Starting Materials for Organolanthanum Chemistry","Organometallics","2006","25","14","3454","","10.1021/om060262v","","","0.71073","MoKα","","0.0372","0.032","","","0.0769","0.079","","","","","","1.025","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075388","18.3872","0.0009","18.3346","0.0009","27.242","0.001","90","","90","","90","","9183.9","0.7","100","1","100","1","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C54 H66 B La O4 -","- C54 H66 B La O4 -","- C432 H528 B8 La8 O32 -","8","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart","Lanthanum Tribenzyl Complexes as Convenient Starting Materials for Organolanthanum Chemistry","Organometallics","2006","25","14","3454","","10.1021/om060262v","","","0.71073","MoKα","","0.0604","0.0365","","","0.0775","0.0859","","","","","","1.016","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075389","13.9488","0.0008","15.7315","0.0009","17.528","0.001","106.521","0.001","96.67","0.001","98.939","0.001","3590.1","0.4","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C84 H105 B2 La O7 -","- C84 H105 B2 La O7 -","- C168 H210 B4 La2 O14 -","2","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart","Lanthanum Tribenzyl Complexes as Convenient Starting Materials for Organolanthanum Chemistry","Organometallics","2006","25","14","3454","","10.1021/om060262v","","","0.71073","MoKα","","0.049","0.0425","","","0.1049","0.1085","","","","","","1.073","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075390","14.092","0.001","10.443","0.001","20.773","0.002","90","","100.879","0.002","90","","3002.1","0.5","100","1","100","1","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H45 La O3 -","- C33 H45 La O3 -","- C132 H180 La4 O12 -","4","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart","Lanthanum Tribenzyl Complexes as Convenient Starting Materials for Organolanthanum Chemistry","Organometallics","2006","25","14","3454","","10.1021/om060262v","","","0.71073","MoKα","","0.0337","0.029","","","0.0696","0.0716","","","","","","1.043","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075391","9.248","0.003","11.433","0.003","14.689","0.004","104.22","0.005","102.548","0.005","94.062","0.005","1456.8","0.7","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H16 Fe2 N2 O14 -","- C30 H16 Fe2 N2 O14 -","- C60 H32 Fe4 N4 O28 -","2","1","","Byers, Jeffrey H.; Sontum, Stephen F.; Dimitrova, Tina S.; Huque, Sumaya; Zegarelli, Benjamin M.; Zhang, Yong; Jasinski, Jerry P.; Butcher, Raymond J.","Generation and Trapping of Radicals Derived from Cyclobutadieneiron Tricarbonyl","Organometallics","2006","25","15","3787","","10.1021/om060263n","","","0.71073","MoKα","","0.09","0.0492","","","0.1036","0.1193","","","","","","1.012","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075392","8.6818","0.0003","13.6267","0.0003","14.9759","0.0004","90","","92.3894","0.0014","90","","1770.17","0.09","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 Cl3 O2 Ta -","- C15 H24 Cl3 O2 Ta -","- C60 H96 Cl12 O8 Ta4 -","4","1","","Tsurugi, Hayato; Ohno, Takashi; Yamagata, Tsuneaki; Mashima, Kazushi","Synthesis, Structure, and Reactivity of Tantalum and Tungsten Homoenolate Complexes","Organometallics","2006","25","13","3179","","10.1021/om060264f","","","0.71075","MoKα","","0.0152","0.0132","","","0.0276","0.028","","","","","","1.11","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075393","25.7248","0.002","21.1152","0.0017","8.6368","0.0008","90","","90","","90","","4691.4","0.7","120","1","120","1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C16 H26 Cl3 O2 Ta -","- C16 H26 Cl3 O2 Ta -","- C128 H208 Cl24 O16 Ta8 -","8","1","","Tsurugi, Hayato; Ohno, Takashi; Yamagata, Tsuneaki; Mashima, Kazushi","Synthesis, Structure, and Reactivity of Tantalum and Tungsten Homoenolate Complexes","Organometallics","2006","25","13","3179","","10.1021/om060264f","","","0.71075","MoKα","","0.1383","0.0679","","","0.1602","0.1843","","","","","","1.033","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075394","9.436","0.004","11.148","0.004","20.172","0.008","76.47","0.03","76.69","0.03","80.3","0.03","1992.8","1.4","120","1","120","1","","","","","","","","6","P -1","-P 1","2","","","","- C42 H51 Cl3 N3 O2 Ta -","- C42 H51 Cl3 N3 O2 Ta -","- C84 H102 Cl6 N6 O4 Ta2 -","2","1","","Tsurugi, Hayato; Ohno, Takashi; Yamagata, Tsuneaki; Mashima, Kazushi","Synthesis, Structure, and Reactivity of Tantalum and Tungsten Homoenolate Complexes","Organometallics","2006","25","13","3179","","10.1021/om060264f","","","0.71075","MoKα","","0.0523","0.036","","","0.0607","0.0634","","","","","","0.956","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075395","11.6461","0.001","30.716","0.003","14.1092","0.0008","90","","109.847","0.003","90","","4747.4","0.7","120","1","120","1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H39 Al F15 N2 O4 Ta -","- C49 H39 Al F15 N2 O4 Ta -","- C196 H156 Al4 F60 N8 O16 Ta4 -","4","1","","Tsurugi, Hayato; Ohno, Takashi; Yamagata, Tsuneaki; Mashima, Kazushi","Synthesis, Structure, and Reactivity of Tantalum and Tungsten Homoenolate Complexes","Organometallics","2006","25","13","3179","","10.1021/om060264f","","","0.71075","MoKα","","0.0268","0.0229","","","0.0792","0.0833","","","","","","0.725","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075396","15.3023","0.0019","12.3796","0.0015","19.488","0.003","90","","93.025","0.006","90","","3686.6","0.9","120","1","120","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C38 H44 Cl3 N3 O2 W -","- C38 H36 Cl3 N3 O2 W -","- C152 H144 Cl12 N12 O8 W4 -","4","1","","Tsurugi, Hayato; Ohno, Takashi; Yamagata, Tsuneaki; Mashima, Kazushi","Synthesis, Structure, and Reactivity of Tantalum and Tungsten Homoenolate Complexes","Organometallics","2006","25","13","3179","","10.1021/om060264f","","","0.71075","MoKα","","0.0472","0.0353","","","0.1058","0.1125","","","","","","0.848","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075397","8.6376","0.0004","14.5419","0.0006","16.7255","0.0007","90","","104.303","0.001","90","","2035.72","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H27 F7 Ir P -","- C17 H27 F7 Ir P -","- C68 H108 F28 Ir4 P4 -","4","1","","Bourgeois, Cheryl J.; Garratt, Shaun A.; Hughes, Russell P.; Larichev, Roman B.; Smith, Jeremy M.; Ward, Antony J.; Willemsen, Stefan; Zhang, Donghui; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L.","Synthesis and Structural Characterization of (Perfluoroalkyl)fluoroiridium(III) and (Perfluoroalkyl)methyliridium(III) Compounds","Organometallics","2006","25","14","3474","","10.1021/om060267s","","","0.71073","MoKα","","0.0333","0.0304","","","0.0804","0.0819","","","","","","1.065","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075398","8.739","0.004","28.391","0.012","8.802","0.004","90","","117.028","0.005","90","","1945.3","1.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H27 F5 Ir P -","- C16 H27 F5 Ir P -","- C64 H108 F20 Ir4 P4 -","4","1","","Bourgeois, Cheryl J.; Garratt, Shaun A.; Hughes, Russell P.; Larichev, Roman B.; Smith, Jeremy M.; Ward, Antony J.; Willemsen, Stefan; Zhang, Donghui; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L.","Synthesis and Structural Characterization of (Perfluoroalkyl)fluoroiridium(III) and (Perfluoroalkyl)methyliridium(III) Compounds","Organometallics","2006","25","14","3474","","10.1021/om060267s","","","0.71073","MoKα","","0.0388","0.0347","","","0.0848","0.0874","","","","","","1.076","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075399","9.154","0.0007","13.0719","0.0009","16.7223","0.0012","90","","103.899","0.001","90","","1942.4","0.2","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 F8 Ir P -","- C16 H24 F8 Ir P -","- C64 H96 F32 Ir4 P4 -","4","1","","Bourgeois, Cheryl J.; Garratt, Shaun A.; Hughes, Russell P.; Larichev, Roman B.; Smith, Jeremy M.; Ward, Antony J.; Willemsen, Stefan; Zhang, Donghui; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L.","Synthesis and Structural Characterization of (Perfluoroalkyl)fluoroiridium(III) and (Perfluoroalkyl)methyliridium(III) Compounds","Organometallics","2006","25","14","3474","","10.1021/om060267s","","","0.71073","MoKα","","0.0292","0.0277","","","0.0681","0.0689","","","","","","1.087","","","","has coordinates","178642","2020-10-21","18:00:00",""
"4075400","9.0365","0.0019","17.816","0.004","22.964","0.005","90","","95.502","0.003","90","","3680","1.4","218","2","218","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 F6 Ir P -","- C15 H24 F6 Ir P -","- C120 H192 F48 Ir8 P8 -","8","2","","Bourgeois, Cheryl J.; Garratt, Shaun A.; Hughes, Russell P.; Larichev, Roman B.; Smith, Jeremy M.; Ward, Antony J.; Willemsen, Stefan; Zhang, Donghui; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L.","Synthesis and Structural Characterization of (Perfluoroalkyl)fluoroiridium(III) and (Perfluoroalkyl)methyliridium(III) Compounds","Organometallics","2006","25","14","3474","","10.1021/om060267s","","","0.71073","MoKα","","0.0562","0.0372","","","0.0865","0.0937","","","","","","1.001","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075401","8.627","0.008","16.639","0.016","13.636","0.013","90","","104.583","0.012","90","","1894","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","rph356","rph356","","- C16 H24 F8 Ir P -","- C16 H24 F8 Ir P -","- C64 H96 F32 Ir4 P4 -","4","1","","Bourgeois, Cheryl J.; Garratt, Shaun A.; Hughes, Russell P.; Larichev, Roman B.; Smith, Jeremy M.; Ward, Antony J.; Willemsen, Stefan; Zhang, Donghui; DiPasquale, Antonio G.; Zakharov, Lev N.; Rheingold, Arnold L.","Synthesis and Structural Characterization of (Perfluoroalkyl)fluoroiridium(III) and (Perfluoroalkyl)methyliridium(III) Compounds","Organometallics","2006","25","14","3474","","10.1021/om060267s","","","0.71073","MoKα","","0.0354","0.0299","","","0.0663","0.0676","","","","","","0.947","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075402","15.956","0.003","11.396","0.002","16.968","0.004","90","","108.887","0.003","90","","2919.2","1","208","2","208","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl O3 Si2 Y -","- C20 H46 B4 Cl O3 Si2 Y -","- C80 H184 B16 Cl4 O12 Si8 Y4 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0864","0.0704","","","0.1324","0.1364","","","","","","1.322","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075403","15.924","0.003","11.54","0.002","17.016","0.003","90","","109.25","0.003","90","","2952.1","0.9","208","2","208","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl Nd O3 Si2 -","- C20 H46 B4 Cl Nd O3 Si2 -","- C80 H184 B16 Cl4 Nd4 O12 Si8 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0779","0.0768","","","0.147","0.1474","","","","","","1.65","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075404","15.848","0.003","11.644","0.002","16.909","0.003","90","","108.869","0.003","90","","2952.6","0.9","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Br O3 Si2 Sm -","- C20 H46 B4 Br O3 Si2 Sm -","- C80 H184 B16 Br4 O12 Si8 Sm4 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0974","0.0955","","","0.1902","0.1909","","","","","","1.539","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075405","15.946","0.004","11.442","0.003","16.99","0.004","90","","108.977","0.004","90","","2931.4","1.3","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl Gd O3 Si2 -","- C20 H46 B4 Cl Gd O3 Si2 -","- C80 H184 B16 Cl4 Gd4 O12 Si8 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0429","0.0418","","","0.0857","0.0861","","","","","","1.523","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075406","15.966","0.003","11.432","0.002","17.002","0.004","90","","108.972","0.003","90","","2934.7","1","208","2","208","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl O3 Si2 Tb -","- C20 H46 B4 Cl O3 Si2 Tb -","- C80 H184 B16 Cl4 O12 Si8 Tb4 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0507","0.0496","","","0.1073","0.1077","","","","","","1.541","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075407","15.951","0.003","11.403","0.002","16.982","0.003","90","","108.928","0.003","90","","2921.8","0.9","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl Dy O3 Si2 -","- C20 H46 B4 Cl Dy O3 Si2 -","- C80 H184 B16 Cl4 Dy4 O12 Si8 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0407","0.0393","","","0.0809","0.0814","","","","","","1.456","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075408","15.878","0.003","11.338","0.002","16.909","0.004","90","","108.957","0.003","90","","2878.9","1","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl Ho O3 Si2 -","- C20 H46 B4 Cl Ho O3 Si2 -","- C80 H184 B16 Cl4 Ho4 O12 Si8 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0625","0.0617","","","0.1439","0.1443","","","","","","1.426","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075409","15.948","0.003","11.377","0.002","16.973","0.003","90","","108.959","0.003","90","","2912.5","0.9","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl Er O3 Si2 -","- C20 H46 B4 Cl Er O3 Si2 -","- C80 H184 B16 Cl4 Er4 O12 Si8 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0329","0.0323","","","0.0672","0.0674","","","","","","1.434","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075410","15.942","0.003","11.358","0.002","16.952","0.003","90","","108.892","0.003","90","","2904.1","0.9","208","2","208","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl O3 Si2 Tm -","- C20 H46 B4 Cl O3 Si2 Tm -","- C80 H184 B16 Cl4 O12 Si8 Tm4 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0401","0.0392","","","0.0805","0.0807","","","","","","1.551","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075411","15.952","0.002","11.3522","0.0016","16.954","0.003","90","","108.911","0.002","90","","2904.5","0.8","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl O3 Si2 Yb -","- C20 H46 B4 Cl O3 Si2 Yb -","- C80 H184 B16 Cl4 O12 Si8 Yb4 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.064","0.063","","","0.1033","0.1035","","","","","","1.802","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075412","15.958","0.005","11.349","0.004","16.962","0.006","90","","108.938","0.005","90","","2905.7","1.7","213","2","213","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C20 H46 B4 Cl Lu O3 Si2 -","- C20 H46 B4 Cl Lu O3 Si2 -","- C80 H184 B16 Cl4 Lu4 O12 Si8 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0438","0.043","","","0.0897","0.0899","","","","","","1.516","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075413","9.626","0.0016","20.961","0.003","11.2237","0.0018","90","","110.13","0.003","90","","2126.3","0.6","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H32 B4 Cl Dy O2 Si -","- C14 H32 B4 Cl Dy O2 Si -","- C56 H128 B16 Cl4 Dy4 O8 Si4 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0833","0.0746","","","0.1883","0.1982","","","","","","1.166","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075414","9.6153","0.0011","20.96","0.002","11.2118","0.0012","90","","110.295","0.002","90","","2119.3","0.4","203","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H32 B4 Cl Ho O2 Si -","- C14 H32 B4 Cl Ho O2 Si -","- C56 H128 B16 Cl4 Ho4 O8 Si4 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0253","0.0247","","","0.0602","0.0606","","","","","","1.172","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075415","9.6273","0.0018","20.98","0.004","11.151","0.002","90","","109.801","0.003","90","","2119.1","0.7","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H32 B4 Cl Er O2 Si -","- C14 H32 B4 Cl Er O2 Si -","- C56 H128 B16 Cl4 Er4 O8 Si4 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0457","0.0454","","","0.0984","0.0985","","","","","","1.543","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075416","9.5975","0.0009","20.929","0.002","11.1403","0.0011","90","","110.264","0.002","90","","2099.2","0.4","203","2","203","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H32 B4 Cl O2 Si Yb -","- C14 H32 B4 Cl O2 Si Yb -","- C56 H128 B16 Cl4 O8 Si4 Yb4 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0963","0.077","","","0.1848","0.2006","","","","","","1.151","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075417","23.323","0.005","9.847","0.002","27.109","0.006","90","","90.855","0.004","90","","6225","2","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20 H48 B8 Nd O2 Si2 -","- C20 H48 B8 Nd O2 Si2 -","- C160 H384 B64 Nd8 O16 Si16 -","8","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0964","0.0894","","","0.1882","0.1919","","","","","","1.339","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075418","8.0829","0.0009","23.889","0.003","14.8139","0.0015","90","","102.081","0.002","90","","2797.1","0.5","203","2","203","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H40 B4 Er O Si2 -","- C22 H40 B4 Er O Si2 -","- C88 H160 B16 Er4 O4 Si8 -","4","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0621","0.057","","","0.0961","0.0976","","","","","","1.386","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075419","8.4527","0.0019","10.699","0.002","17.467","0.004","80.29","0.003","77.221","0.004","87.107","0.004","1518.3","0.6","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H46 B4 Gd O2 Si2 -","- C24 H46 B4 Gd O2 Si2 -","- C48 H92 B8 Gd2 O4 Si4 -","2","1","","Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S.","Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry","Organometallics","2006","25","17","4118","","10.1021/om060268k","","","0.71073","MoKα","","0.0602","0.0589","","","0.1171","0.1175","","","","","","1.536","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075420","12.264","0.001","16.982","0.001","25.395","0.001","90","","90","","90","","5288.9","0.6","198","2","198","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C64 H64 Cl2 O2 Zr2 -","- C64 H64 Cl2 O2 Zr2 -","- C256 H256 Cl8 O8 Zr8 -","4","0.5","","Paradies, Jan; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","[2+2]-Cycloaddition and Subsequentmeso/racansa-Metallocene Interconversion by Photolysis of a Bis(1,3-dialkenylcyclopentadienyl)zirconium Complex","Organometallics","2006","25","16","3920","","10.1021/om060269c","","","0.71073","MoKα","","0.1148","0.0569","","","0.1366","0.1607","","","","","","1.045","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075421","11.92","0.001","13.579","0.001","13.236","0.001","90","","101.85","0.01","90","","2096.7","0.3","198","2","198","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 Cl2 Zr -","- C22 H26 Cl2 Zr -","- C88 H104 Cl8 Zr4 -","4","1","","Paradies, Jan; Fröhlich, Roland; Kehr, Gerald; Erker, Gerhard","[2+2]-Cycloaddition and Subsequentmeso/racansa-Metallocene Interconversion by Photolysis of a Bis(1,3-dialkenylcyclopentadienyl)zirconium Complex","Organometallics","2006","25","16","3920","","10.1021/om060269c","","","0.71073","MoKα","","0.04","0.031","","","0.0787","0.0828","","","","","","1.063","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075422","19.1723","0.0016","19.1723","0.0016","24.043","0.004","90","","90","","120","","7653.6","1.6","100","2","100","2","","","","","","","","3","R -3 :H","-R 3","148","biphenyl zirconocene","zirconocene 2,2'-biphenyldiyl","","- C22 H18 Zr -","- C22 H18 Zr -","- C396 H324 Zr18 -","18","1","","Hilton, Cameron L.; King, Benjamin T.","Four Homologous Zirconium 2,2‘-Biphenyldiyls: Synthesis, Structure, and Reactivity","Organometallics","2006","25","17","4058","","10.1021/om060270b","","","0.71073","MoKα","","0.0735","0.0398","","","0.0865","0.092","","","","","","0.866","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075423","19.2821","0.0017","14.6363","0.0013","15.0442","0.0013","90","","106.65","0.002","90","","4067.7","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","bisbiphenyl cyclopentadienyl zirconate","bis(2,2'-biphenyldiyl cyclopentadienyl zirconate lithium","","- C47 H53 Li O4.5 Zr -","- C47 H53 Li O4.5 Zr -","- C188 H212 Li4 O18 Zr4 -","4","1","","Hilton, Cameron L.; King, Benjamin T.","Four Homologous Zirconium 2,2‘-Biphenyldiyls: Synthesis, Structure, and Reactivity","Organometallics","2006","25","17","4058","","10.1021/om060270b","","","0.71073","MoKα","","0.0399","0.0339","","","0.0937","0.0993","","","","","","1.045","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075424","28.632","0.01","13.128","0.005","21.206","0.007","90","","131.001","0.008","90","","6016","4","173","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","trisbiphyzirconate","tris(2,2'-biphenyldiyl)zirconate lithium","","- C68 H86 Li2 O8 Zr -","- C68 H86 Li2 O8 Zr -","- C272 H344 Li8 O32 Zr4 -","4","0.5","","Hilton, Cameron L.; King, Benjamin T.","Four Homologous Zirconium 2,2‘-Biphenyldiyls: Synthesis, Structure, and Reactivity","Organometallics","2006","25","17","4058","","10.1021/om060270b","","","0.71073","MoKα","","0.0761","0.0559","","","0.1253","0.1323","","","","","","1.542","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075425","12.9268","0.0005","17.697","0.0006","23.7283","0.0008","90","","95.913","0.001","90","","5399.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","tetrakisbiphyzirconate","tetrakis(2,2'-biphenyldiyl)zirconate lithium","","- C64 H72 Li4 O4 Zr -","- C64 H72 Li4 O4 Zr -","- C256 H288 Li16 O16 Zr4 -","4","1","","Hilton, Cameron L.; King, Benjamin T.","Four Homologous Zirconium 2,2‘-Biphenyldiyls: Synthesis, Structure, and Reactivity","Organometallics","2006","25","17","4058","","10.1021/om060270b","","","0.71073","MoKα","","0.0437","0.035","","","0.0891","0.0928","","","","","","1.051","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075426","16.5149","0.0016","9.3288","0.0007","10.5748","0.001","90","","109.12","0.008","90","","1539.3","0.2","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C36 H38 N4 O2 -","- C36 H38 N4 O2 -","- C72 H76 N8 O4 -","2","0.5","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Sore, Nicholas T.; Rath, Rakesh K.; McFarlane, William; Harrington, Ross W.; Clegg, William","Modular Synthesis of a New Class of Bis(amino-oxazoline) Using Palladium-Catalyzed Buchwald−Hartwig Amination Methodology","Organometallics","2006","25","18","4341","","10.1021/om0602714","","","0.71073","MoKα","","0.0618","0.0552","","","0.1288","0.1361","","","","","","1.187","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075427","11.8347","0.0011","11.6956","0.0015","14.5993","0.0016","90","","102.316","0.01","90","","1974.2","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N3 O -","- C24 H25 N3 O -","- C96 H100 N12 O4 -","4","2","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Sore, Nicholas T.; Rath, Rakesh K.; McFarlane, William; Harrington, Ross W.; Clegg, William","Modular Synthesis of a New Class of Bis(amino-oxazoline) Using Palladium-Catalyzed Buchwald−Hartwig Amination Methodology","Organometallics","2006","25","18","4341","","10.1021/om0602714","","","0.71073","MoKα","","0.0599","0.0427","","","0.0938","0.1019","","","","","","1.102","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075428","9.9081","0.0015","11.1339","0.0017","14.528","0.002","96.546","0.002","102.527","0.002","90.104","0.002","1553.7","0.4","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C39 H36 N4 O2 -","- C39 H36 N4 O2 -","- C78 H72 N8 O4 -","2","2","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Sore, Nicholas T.; Rath, Rakesh K.; McFarlane, William; Harrington, Ross W.; Clegg, William","Modular Synthesis of a New Class of Bis(amino-oxazoline) Using Palladium-Catalyzed Buchwald−Hartwig Amination Methodology","Organometallics","2006","25","18","4341","","10.1021/om0602714","","","0.8462","synchrotron","","0.0707","0.0625","","","0.1589","0.1682","","","","","","1.016","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075429","10.6787","0.0003","10.6787","0.0003","34.894","0.002","90","","90","","90","","3979.1","0.3","150","2","150","2","","","","","","","","8","P 41","P 4w","76","","","","- C39 H44 Cl2 Cu F6 N4 O2 P -","- C39 H44 Cl2 Cu F6 N4 O2 P -","- C156 H176 Cl8 Cu4 F24 N16 O8 P4 -","4","1","","Doherty, Simon; Knight, Julian G.; Smyth, Catherine H.; Sore, Nicholas T.; Rath, Rakesh K.; McFarlane, William; Harrington, Ross W.; Clegg, William","Modular Synthesis of a New Class of Bis(amino-oxazoline) Using Palladium-Catalyzed Buchwald−Hartwig Amination Methodology","Organometallics","2006","25","18","4341","","10.1021/om0602714","","","0.71073","MoKα","","0.0641","0.0546","","","0.1343","0.1422","","","","","","1.078","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075430","14.054","0.006","10.19","0.004","15.592","0.002","90","","93.9","0.03","90","","2227.8","1.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H35 N P2 Ti -","- C22 H35 N P2 Ti -","- C88 H140 N4 P8 Ti4 -","4","1","","Cloke, F. Geoffrey N.; Green, Jennifer C.; Hazari, Nilay; Hitchcock, Peter B.; Mountford, Philip; Nixon, John F.; Wilson, D. James","Reactions oftBuC⋮P with Cyclooctatetraene-Supported Titanium Imido Complexes","Organometallics","2006","25","15","3688","","10.1021/om060273o","","","0.71073","MoKα","","0.0591","0.0401","","0.099","0.0892","","","","1.016","1.043","1.043","","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075431","16.6095","0.0003","10.6179","0.0002","18.3565","0.0003","90","","92.297","0.002","90","","3234.71","0.1","150","2","150","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","kjc0413","","","- C33 H36 N2 O8 Pd -","- C33 H36 N2 O8 Pd -","- C132 H144 N8 O32 Pd4 -","4","1","","Clement, Nicolas D.; Cavell, Kingsley J.; Ooi, Li-ling","Zerovalent N-Heterocyclic Carbene Complexes of Palladium and Nickel Dimethyl Fumarate: Synthesis, Structure, and Dynamic Behavior","Organometallics","2006","25","17","4155","","10.1021/om0602759","","","0.71073","MoKα","","0.059","0.0429","","","0.0988","0.106","","","","","","1.043","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075432","14.7055","0.0003","10.9864","0.0002","19.5639","0.0004","90","","98.248","0.001","90","","3128.06","0.11","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 N2 Ni O8 -","- C33 H36 N2 Ni O8 -","- C132 H144 N8 Ni4 O32 -","4","1","","Clement, Nicolas D.; Cavell, Kingsley J.; Ooi, Li-ling","Zerovalent N-Heterocyclic Carbene Complexes of Palladium and Nickel Dimethyl Fumarate: Synthesis, Structure, and Dynamic Behavior","Organometallics","2006","25","17","4155","","10.1021/om0602759","","","0.71073","MoKα","","0.1471","0.0595","","","0.127","0.1548","","","","","","1.034","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075433","10.2286","0.0002","17.0906","0.0002","18.8608","0.0003","116.879","0.001","91.591","0.001","97.885","0.001","2898.02","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","kjc0407","","","- C66 H72 N4 Ni O4 -","- C66 H72 N4 Ni O4 -","- C132 H144 N8 Ni2 O8 -","2","1","","Clement, Nicolas D.; Cavell, Kingsley J.; Ooi, Li-ling","Zerovalent N-Heterocyclic Carbene Complexes of Palladium and Nickel Dimethyl Fumarate: Synthesis, Structure, and Dynamic Behavior","Organometallics","2006","25","17","4155","","10.1021/om0602759","","","0.71073","MoKα","","0.0969","0.056","","","0.1082","0.123","","","","","","1.034","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075434","10.7764","0.0001","16.4619","0.0002","29.9743","0.0003","90","","90.571","0.001","90","","5317.18","0.1","150","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","kjc0410","","","- C54 H62 N4 Ni2 O9 -","- C54 H62 N4 Ni2 O9 -","- C216 H248 N16 Ni8 O36 -","4","1","","Clement, Nicolas D.; Cavell, Kingsley J.; Ooi, Li-ling","Zerovalent N-Heterocyclic Carbene Complexes of Palladium and Nickel Dimethyl Fumarate: Synthesis, Structure, and Dynamic Behavior","Organometallics","2006","25","17","4155","","10.1021/om0602759","","","0.71073","MoKα","","0.0659","0.0531","","","0.1327","0.1393","","","","","","1.13","","","","has coordinates,has disorder","178643","2020-10-21","18:00:00",""
"4075435","9.815","0.001","9.859","0.001","17.291","0.003","95.6","0.01","90.68","0.01","98.63","0.01","1645.7","0.4","130","","130","","","","","","","","by syntheses","5","P -1","-P 1","2","","","","- C26 H61 N4 Si2 Y -","- C26 H61 N4 Si2 Y -","- C52 H122 N8 Si4 Y2 -","2","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart; Bruins, Andries P.","Cationic Group 3 Alkyl Complexes with Isopropyl-Substituted Triazacyclononane-amide Ligands: Synthesis, Structure, and Thermal Decomposition Processes","Organometallics","2006","25","14","3486","","10.1021/om060278l","","","0.71073","MoKα","","0.1413","0.0731","","","0.1505","0.18","","","","","","1.016","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075436","9.9434","0.0006","17.752","0.001","19.563","0.001","91.197","0.001","94.254","0.001","91.353","0.001","3441.8","0.3","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C26 H63 N4 Si3 Y -","- C26 H63 N4 Si3 Y -","- C104 H252 N16 Si12 Y4 -","4","2","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart; Bruins, Andries P.","Cationic Group 3 Alkyl Complexes with Isopropyl-Substituted Triazacyclononane-amide Ligands: Synthesis, Structure, and Thermal Decomposition Processes","Organometallics","2006","25","14","3486","","10.1021/om060278l","","","0.71073","MoKα","","0.078","0.0637","","","0.1446","0.1516","","","","","","1.069","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075437","10.0781","0.0005","17.8056","0.0008","19.7373","0.0009","90.996","0.001","94.522","0.001","91.577","0.001","3528.7","0.3","100","1","100","1","","","","","","","see text","5","P -1","-P 1","2","","","","- C26 H63 La N4 Si3 -","- C26 H63 La N4 Si3 -","- C104 H252 La4 N16 Si12 -","4","2","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart; Bruins, Andries P.","Cationic Group 3 Alkyl Complexes with Isopropyl-Substituted Triazacyclononane-amide Ligands: Synthesis, Structure, and Thermal Decomposition Processes","Organometallics","2006","25","14","3486","","10.1021/om060278l","","","0.71073","MoKα","","0.0655","0.0537","","","0.1252","0.1307","","","","","","1.088","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075438","12.1829","0.0006","13.652","0.0007","14.8613","0.0008","86.335","0.001","88.358","0.001","78.635","0.001","2418","0.2","100","1","100","1","","","","","","","see text","7","P -1","-P 1","2","","","","- C50 H78 B N4 O Si Y -","- C50 H78 B N4 O Si Y -","- C100 H156 B2 N8 O2 Si2 Y2 -","2","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart; Bruins, Andries P.","Cationic Group 3 Alkyl Complexes with Isopropyl-Substituted Triazacyclononane-amide Ligands: Synthesis, Structure, and Thermal Decomposition Processes","Organometallics","2006","25","14","3486","","10.1021/om060278l","","","0.71073","MoKα","","0.0405","0.0335","","","0.0822","0.0852","","","","","","1.05","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075439","17.775","0.002","20.181","0.002","30.309","0.003","90","","90","","90","","10872","2","100","1","100","1","","","","","","","see text","7","P b c a","-P 2ac 2ab","61","","","","- C54 H88 B N4 O2 Si2 Y -","- C50 H80 B N4 O Si2 Y -","- C400 H640 B8 N32 O8 Si16 Y8 -","8","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart; Bruins, Andries P.","Cationic Group 3 Alkyl Complexes with Isopropyl-Substituted Triazacyclononane-amide Ligands: Synthesis, Structure, and Thermal Decomposition Processes","Organometallics","2006","25","14","3486","","10.1021/om060278l","","","0.71073","MoKα","","0.1218","0.0622","","","0.1444","0.1637","","","","","","0.972","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075440","14.573","0.001","16.465","0.001","18.963","0.001","90","","96.348","0.001","90","","4522.2","0.5","200","1","200","1","","","","","","","see text","7","P 1 21/n 1","-P 2yn","14","","","","- C46 H68 B La N4 O Si -","- C46 H68 B La N4 O Si -","- C184 H272 B4 La4 N16 O4 Si4 -","4","1","","Bambirra, Sergio; Meetsma, Auke; Hessen, Bart; Bruins, Andries P.","Cationic Group 3 Alkyl Complexes with Isopropyl-Substituted Triazacyclononane-amide Ligands: Synthesis, Structure, and Thermal Decomposition Processes","Organometallics","2006","25","14","3486","","10.1021/om060278l","","","0.71073","MoKα","","0.1942","0.1099","","","0.2623","0.2929","","","","","","1.521","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075441","14.6054","0.001","18.5796","0.0014","15.1759","0.0013","90","","95.168","0.006","90","","4101.4","0.5","180","","180","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 I3 Ir N O3 P2 -","- C40 H33 I3 Ir N O3 P2 -","- C160 H132 I12 Ir4 N4 O12 P8 -","4","1","","Gautron, Samuel; Lassauque, Nicolas; Le Berre, Carole; Azam, Laurent; Giordano, Roberto; Serp, Philippe; Laurenczy, Gábor; Daran, Jean Claude; Duhayon, Carine; Thiébaut, Daniel; Kalck, Philippe","Promoting Role of [PtI2(CO)]2in the Iridium-Catalyzed Methanol Carbonylation to Acetic Acid and Its Interaction with Involved Iridium Species","Organometallics","2006","25","25","5894","","10.1021/om060282x","","","0.71073","MoKα","","0.11","0.0397","","0.0499","0.0436","0.0436","","","","","","1.1288","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075442","13.6476","0.0007","17.9405","0.0009","15.4626","0.0009","90","","104.57","0.005","90","","3664.2","0.3","180","2","180","2","","","","","","","synthesis as described","7","P 1 21/c 1","-P 2ybc","14","","","","- C37 H30 I3 N O P2 Pt -","- C37 H30 I3 N O P2 Pt -","- C148 H120 I12 N4 O4 P8 Pt4 -","4","1","","Gautron, Samuel; Lassauque, Nicolas; Le Berre, Carole; Azam, Laurent; Giordano, Roberto; Serp, Philippe; Laurenczy, Gábor; Daran, Jean Claude; Duhayon, Carine; Thiébaut, Daniel; Kalck, Philippe","Promoting Role of [PtI2(CO)]2in the Iridium-Catalyzed Methanol Carbonylation to Acetic Acid and Its Interaction with Involved Iridium Species","Organometallics","2006","25","25","5894","","10.1021/om060282x","","x-ray","0.71073","MoKα","","0.0384","0.0345","","","0.0741","0.0766","","","","","","1.091","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075443","11.143","0.005","14.322","0.001","24.444","0.003","90","","97.4","0.01","90","","3868.5","1.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H50 I N Nb P Si2 -","- C36 H50 I N Nb P Si2 -","- C144 H200 I4 N4 Nb4 P4 Si8 -","4","1","","Antiñolo, Antonio; Evrard, David; García-Yuste, Santiago; Otero, Antonio; Pérez-Flores, Juan C.; Reguillo-Carmona, Rebeca; Rodríguez, Ana M.; Villaseñor, Elena","Synthesis, Characterization, and Reactivity of Isocyanidephosphidoniobocene Derivatives: X-ray Diffraction Structures of New Isocyanideniobocene Complexes, [Nb(η5-C5H4SiMe3)2(CNR)(PMePh2)]I, R = Xylyl, Cy","Organometallics","2006","25","15","3670","","10.1021/om060283p","","","0.71069","MoKα","","0.0802","0.0491","","","0.1403","0.1851","","","","","","1.063","","","","has coordinates,has disorder","178643","2020-10-21","18:00:00",""
"4075444","10.992","0.005","14.39","0.002","24.683","0.002","90","","90","","90","","3904.2","1.9","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H48 I N Nb P Si2 -","- C38 H48 I N Nb P Si2 -","- C152 H192 I4 N4 Nb4 P4 Si8 -","4","1","","Antiñolo, Antonio; Evrard, David; García-Yuste, Santiago; Otero, Antonio; Pérez-Flores, Juan C.; Reguillo-Carmona, Rebeca; Rodríguez, Ana M.; Villaseñor, Elena","Synthesis, Characterization, and Reactivity of Isocyanidephosphidoniobocene Derivatives: X-ray Diffraction Structures of New Isocyanideniobocene Complexes, [Nb(η5-C5H4SiMe3)2(CNR)(PMePh2)]I, R = Xylyl, Cy","Organometallics","2006","25","15","3670","","10.1021/om060283p","","","0.7107","MoKα","","0.1244","0.0592","","","0.128","0.1956","","","","","","0.967","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075445","11.045","0.004","23.888","0.01","12.305","0.005","90","","107.215","0.009","90","","3101","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H29 Cr N O8 Se -","- C33 H29 Cr N O8 Se -","- C132 H116 Cr4 N4 O32 Se4 -","4","1","","Zheng, Zhaoyan; Chen, Jinzhu; Luo, Ning; Yu, Zhengkun; Han, Xiuwen","Efficient Demetalation of Fischer Alkoxy- and Amino-Biscarbene Complexes of Chromium via CO-Promoted Sulfuration and Selenylation","Organometallics","2006","25","22","5301","5310","10.1021/om060288m","","","0.71073","MoKα","","0.2042","0.0499","","","0.0674","0.1129","","","","","","0.844","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075446","9.8424","0.0012","10.0858","0.0013","14.5902","0.0018","107.768","0.002","103.307","0.002","100.49","0.002","1291.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 N O3 Se2 -","- C28 H29 N O3 Se2 -","- C56 H58 N2 O6 Se4 -","2","1","","Zheng, Zhaoyan; Chen, Jinzhu; Luo, Ning; Yu, Zhengkun; Han, Xiuwen","Efficient Demetalation of Fischer Alkoxy- and Amino-Biscarbene Complexes of Chromium via CO-Promoted Sulfuration and Selenylation","Organometallics","2006","25","22","5301","5310","10.1021/om060288m","","","0.71073","MoKα","","0.0824","0.0513","","","0.1194","0.1285","","","","","","0.862","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075447","9.9852","0.0012","10.0883","0.0012","16.4519","0.0019","87.999","0.002","75.261","0.002","84.954","0.002","1596.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H32 Cr N2 O8 -","- C35 H32 Cr N2 O8 -","- C70 H64 Cr2 N4 O16 -","2","1","","Zheng, Zhaoyan; Chen, Jinzhu; Luo, Ning; Yu, Zhengkun; Han, Xiuwen","Efficient Demetalation of Fischer Alkoxy- and Amino-Biscarbene Complexes of Chromium via CO-Promoted Sulfuration and Selenylation","Organometallics","2006","25","22","5301","5310","10.1021/om060288m","","","0.71073","MoKα","","0.0607","0.0521","","","0.1423","0.148","","","","","","1.012","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075448","6.9915","0.0008","9.296","0.001","11.6505","0.0012","95.864","0.002","100.443","0.002","101.288","0.002","722.78","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H6 Cr O6 S -","- C14 H6 Cr O6 S -","- C28 H12 Cr2 O12 S2 -","2","1","","Zheng,; Chen, Jinzhu; Luo, Ning; Yu,; Han, Xiuwen","Efficient Demetalation of Fischer Alkoxy- and Amino-Biscarbene Complexes of Chromium via CO-Promoted Sulfuration and Selenylation","Organometallics","2006","25","22","5301","","10.1021/om060288m","","","0.71073","MoKα","","0.0392","0.0343","","","0.0943","0.097","","","","","","1.073","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075449","9.3016","0.0005","21.458","0.0012","15.0813","0.0008","90","","99.619","0.001","90","","2967.8","0.3","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[NiCl(PCP-Ph)]+0.5C6H6","","","- C33 H28 Cl N2 Ni P2 -","- C33 H28 Cl N2 Ni P2 -","- C132 H112 Cl4 N8 Ni4 P8 -","4","1","","Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl","A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes","Organometallics","2006","25","16","3817","","10.1021/om060289e","","","0.71073","MoKα","","0.1026","0.0391","","","0.0665","0.0788","","","","","","0.759","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075450","22.614","0.002","7.9747","0.0008","13.7454","0.0014","90","","90","","90","","2478.8","0.4","100","2","100","2","","","","","","","","6","P n a 21","P 2c -2n","33","[NiCl(PCP-tBu)]","","","- C22 H41 Cl N2 Ni P2 -","- C22 H41 Cl N2 Ni P2 -","- C88 H164 Cl4 N8 Ni4 P8 -","4","1","","Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl","A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes","Organometallics","2006","25","16","3817","","10.1021/om060289e","","","0.71073","MoKα","","0.0409","0.0335","","","0.0787","0.0821","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075451","12.9104","0.0006","14.3253","0.0006","18.6546","0.0008","90","","90","","90","","3450.1","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[PdCl(PCP-Ph)].2DMF","","","- C36 H39 Cl N4 O2 P2 Pd -","- C36 H39 Cl N4 O2 P2 Pd -","- C144 H156 Cl4 N16 O8 P8 Pd4 -","4","1","","Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl","A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes","Organometallics","2006","25","16","3817","","10.1021/om060289e","","","0.71073","MoKα","","0.0246","0.0234","","","0.0615","0.0628","","","","","","1.049","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075452","11.1604","0.0005","19.9505","0.0009","13.6931","0.0006","90","","94.624","0.001","90","","3038.9","0.2","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[PdCl(CF3-PCP-Ph)].CH3CN","","","- C33 H27 Cl F3 N3 P2 Pd -","- C33 H27 Cl F3 N3 P2 Pd -","- C132 H108 Cl4 F12 N12 P8 Pd4 -","4","1","","Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl","A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes","Organometallics","2006","25","16","3817","","10.1021/om060289e","","","0.71073","MoKα","","0.0213","0.0203","","","0.0526","0.0533","","","","","","1.045","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075453","8.7928","0.0005","18.5713","0.0011","24.1001","0.0014","90","","97.161","0.001","90","","3904.7","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","[PtBr(PCP-Ph)].[Et3NH]Br.CH2Cl2","","","- C37 H43 Br2 Cl2 N3 P2 Pt -","- C37 H43 Br2 Cl2 N3 P2 Pt -","- C148 H172 Br8 Cl8 N12 P8 Pt4 -","4","1","","Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl","A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes","Organometallics","2006","25","16","3817","","10.1021/om060289e","","","0.71073","MoKα","","0.0412","0.0293","","","0.0682","0.0722","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075454","12.4771","0.0006","14.3627","0.0007","13.8741","0.0007","90","","94.266","0.001","90","","2479.4","0.2","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[Pd(PCP-iPr)(CF3COO)]","","","- C20 H33 F3 N2 O2 P2 Pd -","- C20 H33 F3 N2 O2 P2 Pd -","- C80 H132 F12 N8 O8 P8 Pd4 -","4","1","","Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl","A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes","Organometallics","2006","25","16","3817","","10.1021/om060289e","","","0.71073","MoKα","","0.029","0.0263","","","0.066","0.0678","","","","","","1.038","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075455","13.6286","0.0012","15.5379","0.0014","18.6978","0.0017","90","","90","","90","","3959.4","0.6","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","[Pd(PCP-bipol)(CF3COO)].2(Et2O)","","","- C40 H41 F3 N2 O8 P2 Pd -","- C40 H41 F3 N2 O8 P2 Pd -","- C160 H164 F12 N8 O32 P8 Pd4 -","4","1","","Benito-Garagorri, David; Bocokić, Vladica; Mereiter, Kurt; Kirchner, Karl","A Modular Approach to Achiral and Chiral Nickel(II), Palladium(II), and Platinum(II) PCP Pincer Complexes Based on Diaminobenzenes","Organometallics","2006","25","16","3817","","10.1021/om060289e","","","0.71073","MoKα","","0.0467","0.0397","","","0.0947","0.1026","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075456","9.1424","0.0008","10.0636","0.0009","14.1503","0.0013","90","","120.638","0.006","90","","1120.16","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","bis{(m-h2-hydridodiethylsilyl)tetracarbonyl-molybdenum(I)}","","- C16 H22 Mo2 O8 Si2 -","- C16 H22 Mo2 O8 Si2 -","- C32 H44 Mo4 O16 Si4 -","2","0.5","","Stosur, Magdalena; Kochel, Andrzej; Keller, Antoni; Szymańska-Buzar, Teresa","Photochemical Reaction of Mo(CO)6with Et2SiH2: Spectroscopic Characterization and Crystal Structure of the Bis{(μ-η2-hydridodiethylsilyl)tetracarbonylmolybdenum(I)} Complex [{Mo(μ-η2-H−SiEt2)(CO)4}2]","Organometallics","2006","25","15","3791","","10.1021/om060290d","","","0.71073","MoKα","","0.0301","0.0243","","","0.0552","0.057","","","","","","1.1","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075457","10.349","0.008","12.101","0.004","12.42","0.003","91.378","0.01","90.12","0.06","99.34","0.04","1534.3","1.4","113.1","","","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H46 Fe2 N2 -","- C34 H31 Fe2 N2 -","- C68 H62 Fe4 N4 -","2","1","","Ohki, Yasuhiro; Takikawa, Yuko; Hatanaka, Tsubasa; Tatsumi, Kazuyuki","Reductive N−N Bond Cleavage of Diphenylhydrazine and Azobenzene Induced by Coordinatively Unsaturated Cp*Fe{N(SiMe3)2}","Organometallics","2006","25","13","3111","","10.1021/om0602963","","","0.7107","MoKα","","","0.0826","","","","0.1097","","","","","","1.47","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075458","17.794","0.003","11.639","0.002","13.517","0.002","90","","93.709","0.002","90","","2793.6","0.8","143.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H40 Fe2 N2 -","- C32 H40 Fe2 N2 -","- C128 H160 Fe8 N8 -","4","0.5","","Ohki, Yasuhiro; Takikawa, Yuko; Hatanaka, Tsubasa; Tatsumi, Kazuyuki","Reductive N−N Bond Cleavage of Diphenylhydrazine and Azobenzene Induced by Coordinatively Unsaturated Cp*Fe{N(SiMe3)2}","Organometallics","2006","25","13","3111","","10.1021/om0602963","","","0.7107","MoKα","","","0.0252","","","","0.0361","","","","","","1.306","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075459","20.681","0.003","22.191","0.003","25.607","0.003","90","","90","","90","","11752","3","143.2","","","","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","","","- C26 H49 Fe2 N Si2 -","- C26 H49 Fe2 N Si2 -","- C416 H784 Fe32 N16 Si32 -","16","0.5","","Ohki, Yasuhiro; Takikawa, Yuko; Hatanaka, Tsubasa; Tatsumi, Kazuyuki","Reductive N−N Bond Cleavage of Diphenylhydrazine and Azobenzene Induced by Coordinatively Unsaturated Cp*Fe{N(SiMe3)2}","Organometallics","2006","25","13","3111","","10.1021/om0602963","","","0.7107","MoKα","","","0.0327","","","","0.0466","","","","","","0.897","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075460","12.9517","0.0019","12.9645","0.0019","20.395","0.003","82.092","0.004","83.09","0.004","86.68","0.004","3364.4","0.9","123.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H86 N4 P2 S4 -","- C74 H81 N4 P2 S4 -","- C148 H162 N8 P4 S8 -","2","1","","Matano, Yoshihiro; Nakabuchi, Takashi; Miyajima, Tooru; Imahori, Hiroshi","Phosphole-Containing Hybrid Calixpyrroles: New Multifunctional Macrocyclic Ligands for Platinum(II) Ions","Organometallics","2006","25","13","3105","","10.1021/om060300a","","","0.7107","MoKα","","","0.0493","","","","0.1329","","","","","","1.076","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075461","11.2995","0.0014","16.673","0.002","18.066","0.002","90","","90","","90","","3403.6","0.7","123.1","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H43 N2 O P S -","- C37 H43 N2 O P S -","- C148 H172 N8 O4 P4 S4 -","4","1","","Matano, Yoshihiro; Nakabuchi, Takashi; Miyajima, Tooru; Imahori, Hiroshi","Phosphole-Containing Hybrid Calixpyrroles: New Multifunctional Macrocyclic Ligands for Platinum(II) Ions","Organometallics","2006","25","13","3105","","10.1021/om060300a","","","0.7107","MoKα","","","0.0404","","","","0.1042","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075462","11.46","0.008","18.498","0.013","22.927","0.015","90","","91.15","0.004","90","","4859","6","123.1","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C47 H56 Cl7 N2 P Pt S -","- C47 H56 Cl7 N2 P Pt S -","- C188 H224 Cl28 N8 P4 Pt4 S4 -","4","1","","Matano, Yoshihiro; Nakabuchi, Takashi; Miyajima, Tooru; Imahori, Hiroshi","Phosphole-Containing Hybrid Calixpyrroles: New Multifunctional Macrocyclic Ligands for Platinum(II) Ions","Organometallics","2006","25","13","3105","","10.1021/om060300a","","","0.7107","MoKα","","","0.0578","","","","0.1449","","","","","","0.96","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075463","12.6356","0.0007","19.2328","0.0011","24.6795","0.0014","90","","90","","90","","5997.6","0.6","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C36 H39.5 N2 Ni S -","- C36 H39.5 N2 Ni S -","- C288 H316 N16 Ni8 S8 -","8","1","","Malyshev, Denis A.; Scott, Natalie M.; Marion, Nicolas; Stevens, Edwin D.; Ananikov, Valentine P.; Beletskaya, Irina P.; Nolan, Steven P.","Homogeneous Nickel Catalysts for the Selective Transfer of a Single Arylthio Group in the Catalytic Hydrothiolation of Alkynes","Organometallics","2006","25","19","4462","","10.1021/om060302v","","","0.71073","MoKα","","0.0598","0.0473","","","0.132","0.1374","","","","","","1.119","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075464","9.246","0.0003","9.3525","0.0003","21.5658","0.0008","87.784","0.001","78.42","0.001","66.072","0.001","1667.99","0.1","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H46 N2 Ni S -","- C38 H46 N2 Ni S -","- C76 H92 N4 Ni2 S2 -","2","2","","Malyshev, Denis A.; Scott, Natalie M.; Marion, Nicolas; Stevens, Edwin D.; Ananikov, Valentine P.; Beletskaya, Irina P.; Nolan, Steven P.","Homogeneous Nickel Catalysts for the Selective Transfer of a Single Arylthio Group in the Catalytic Hydrothiolation of Alkynes","Organometallics","2006","25","19","4462","","10.1021/om060302v","","","0.71073","MoKα","","0.0348","0.0269","","","0.0675","0.0706","","","","","","0.982","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075465","20.218","0.003","14.776","0.002","11.5831","0.0018","90","","102.328","0.003","90","","3380.6","0.9","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H48 N2 Ni S -","- C38 H48 N2 Ni S -","- C152 H192 N8 Ni4 S4 -","4","1","","Malyshev, Denis A.; Scott, Natalie M.; Marion, Nicolas; Stevens, Edwin D.; Ananikov, Valentine P.; Beletskaya, Irina P.; Nolan, Steven P.","Homogeneous Nickel Catalysts for the Selective Transfer of a Single Arylthio Group in the Catalytic Hydrothiolation of Alkynes","Organometallics","2006","25","19","4462","","10.1021/om060302v","","","0.71073","MoKα","","0.0884","0.0744","","","0.1913","0.1964","","","","","","1.118","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075466","14.9652","0.0005","13.0364","0.0004","17.1893","0.0006","90","","103.71","0.001","90","","3257.95","0.19","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36.5 H40 N2 Ni O S -","- C36.5 H40 N2 Ni O S -","- C146 H160 N8 Ni4 O4 S4 -","4","1","","Malyshev, Denis A.; Scott, Natalie M.; Marion, Nicolas; Stevens, Edwin D.; Ananikov, Valentine P.; Beletskaya, Irina P.; Nolan, Steven P.","Homogeneous Nickel Catalysts for the Selective Transfer of a Single Arylthio Group in the Catalytic Hydrothiolation of Alkynes","Organometallics","2006","25","19","4462","","10.1021/om060302v","","","0.71073","MoKα","","0.0366","0.0288","","","0.0733","0.0782","","","","","","1.115","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075467","9.1796","0.0014","19.161","0.003","15.043","0.002","90","","102.598","0.003","90","","2582.2","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H43 N7 Ti -","- C22 H43 N7 Ti -","- C88 H172 N28 Ti4 -","4","1","","Banerjee, Sanjukta; Odom, Aaron L.","Synthesis and Structure of a Titanium Hydrazido(2−) Complex","Organometallics","2006","25","13","3099","","10.1021/om060304f","","","0.71073","MoKα","","0.0742","0.0436","","","0.104","0.13","","","","","","1.012","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075468","28.3795","0.0014","12.6335","0.0007","24.976","0.0013","90","","114.676","0.001","90","","8137","0.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C43 H71 N2 Ti -","- C43 H71 N2 Ti -","- C344 H568 N16 Ti8 -","8","2","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Oxidatively Induced α-Hydrogen Abstraction. A Mild Protocol to Generate Terminal Titanium Alkylidenes Containing a β-Hydrogen","Organometallics","2006","25","16","3963","","10.1021/om060308k","","","0.71073","MoKα","","0.0566","0.0387","","","0.1041","0.1123","","","","","","1.012","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075469","10.912","0.009","18.992","0.016","19.841","0.017","90","","90","","90","","4112","6","125","2","125","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C40 H60 F3 N2 O3 S Ti -","- C40 H60 F3 N2 O3 S Ti -","- C160 H240 F12 N8 O12 S4 Ti4 -","4","1","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Oxidatively Induced α-Hydrogen Abstraction. A Mild Protocol to Generate Terminal Titanium Alkylidenes Containing a β-Hydrogen","Organometallics","2006","25","16","3963","","10.1021/om060308k","","","0.71073","MoKα","","0.2319","0.057","","","0.0932","0.1416","","","","","","0.641","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075470","15.2449","0.0017","20.245","0.002","17.852","0.002","90","","115.068","0.003","90","","4990.7","0.9","128","2","128","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C45 H73 F3 N2 O3 S Ti -","- C45 H61 F3 N2 O3 S Ti -","- C180 H244 F12 N8 O12 S4 Ti4 -","4","1","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Oxidatively Induced α-Hydrogen Abstraction. A Mild Protocol to Generate Terminal Titanium Alkylidenes Containing a β-Hydrogen","Organometallics","2006","25","16","3963","","10.1021/om060308k","","","0.71073","MoKα","","0.1254","0.0545","","","0.1366","0.1569","","","","","","0.851","","","","has coordinates,has disorder","178643","2020-10-21","18:00:00",""
"4075471","9.9065","0.0009","20.0341","0.0017","18.2344","0.0017","90","","103.196","0.003","90","","3523.4","0.5","128","2","128","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C31 H48 F3 N O3 P2 S Ti -","- C31 H47.5 F3 N O3 P2 S Ti -","- C124 H190 F12 N4 O12 P8 S4 Ti4 -","4","2","","Bailey, Brad C.; Basuli, Falguni; Huffman, John C.; Mindiola, Daniel J.","Oxidatively Induced α-Hydrogen Abstraction. A Mild Protocol to Generate Terminal Titanium Alkylidenes Containing a β-Hydrogen","Organometallics","2006","25","16","3963","","10.1021/om060308k","","","0.71073","MoKα","","0.0936","0.0576","","","0.1123","0.1249","","","","","","0.869","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075472","13.151","0.002","13.151","0.002","68.335","0.016","90","","90","","120","","10235","3","293","2","293","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C60 H66 Ag3 I3 N18 -","- C60 H66 Ag3 I3 N18 -","- C360 H396 Ag18 I18 N108 -","6","0.166667","","Wang, Xin; Liu, Shuang; Weng, Lin-Hong; Jin, Guo-Xin","A Trinuclear Silver(I) Functionalized N-Heterocyclic Carbene Complex and Its Use in Transmetalation: Structure and Catalytic Activity for Olefin Polymerization","Organometallics","2006","25","15","3565","","10.1021/om060309c","","","0.71073","mokα","","0.0857","0.0635","","","0.1865","0.2116","","","","","","1.038","","","","has coordinates","189843","2020-10-21","18:00:00",""
"4075473","8.4682","0.0018","8.5914","0.0018","9.122","0.002","104.258","0.004","98.156","0.005","98.661","0.004","624.7","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 Cl2 N3 Pd -","- C10 H11 Cl2 N3 Pd -","- C20 H22 Cl4 N6 Pd2 -","2","1","","Wang, Xin; Liu, Shuang; Weng, Lin-Hong; Jin, Guo-Xin","A Trinuclear Silver(I) Functionalized N-Heterocyclic Carbene Complex and Its Use in Transmetalation: Structure and Catalytic Activity for Olefin Polymerization†","Organometallics","2006","25","15","3565","","10.1021/om060309c","","","0.71073","MoKα","","0.0468","0.0371","","","0.0849","0.088","","","","","","0.981","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075474","9.363","0.0003","25.2755","0.0008","9.6082","0.0003","90","","112.724","0.001","90","","2097.32","0.12","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H30 Be N2 -","- C23 H30 Be N2 -","- C92 H120 Be4 N8 -","4","2","","Gottfriedsen, Jochen; Blaurock, Steffen","The First Carbene Complex of a Diorganoberyllium: Synthesis and Structural Characterization of Ph2Be(i-Pr-carbene) and Ph2Be(n-Bu2O)","Organometallics","2006","25","15","3784","","10.1021/om0603114","","","0.71073","MoKα","","0.0787","0.0589","","","0.1563","0.1686","","","","","","1.109","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075475","9.4993","0.0009","10.5282","0.001","18.7174","0.0018","90","","103.118","0.002","90","","1823.1","0.3","200","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 Be O -","- C20 H28 Be O -","- C80 H112 Be4 O4 -","4","1","","Gottfriedsen, Jochen; Blaurock, Steffen","The First Carbene Complex of a Diorganoberyllium: Synthesis and Structural Characterization of Ph2Be(i-Pr-carbene) and Ph2Be(n-Bu2O)","Organometallics","2006","25","15","3784","","10.1021/om0603114","","","0.71073","MoKα","","0.0905","0.0515","","","0.1284","0.1485","","","","","","1","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075476","24.633","0.005","11.588","0.003","15.585","0.004","90","","90","","90","","4448.7","1.9","223","2","223","2","","","","","","","","7","P c a 21","P 2c -2ac","29","compound 2.2CH2Cl2","","","- C47 H45 Cl6 Fe N P2 Ru -","- C47 H45 Cl6 Fe N P2 Ru -","- C188 H180 Cl24 Fe4 N4 P8 Ru4 -","4","1","","Carrión, M. Carmen; García-Vaquero, Ernesto; Jalón, Félix A.; Manzano, Blanca R.; Weissensteiner, Walter; Mereiter, Kurt","Formation of Fischer-Type Aminocarbenes by a Double C−H Bond Activation of a Methylamino Group⊥","Organometallics","2006","25","19","4498","","10.1021/om060314g","","","0.71073","MoKα","","0.0418","0.0314","","","0.0761","0.0802","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075477","9.268","0.0002","14.546","0.0004","17.108","0.0005","90","","105.371","0.001","90","","2223.87","0.1","200.2","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H30 B Mo N2 O4 P -","- C18 H30 B Mo N2 O4 P -","- C72 H120 B4 Mo4 N8 O16 P4 -","4","1","","Nakazawa, Hiroshi; Ohba, Masaharu; Itazaki, Masumi","Synthesis and Reactivity of a Phosphite−Boryl Complex of Molybdenum: Formation of (η5-C5Me5)Mo(CO)3(BH2·phosphite) and Its Mo−B, B−P, and B−H Bond Reactions","Organometallics","2006","25","12","2903","","10.1021/om0603159","","","0.7107","MoKα","","","0.0421","","","","0.0849","","","","","","1.472","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075478","8.829","0.004","8.886","0.004","13.847","0.005","90.66","0.004","101.191","0.007","111.629","0.009","986.5","0.7","203","2","","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H29 Mo N2 O3 P -","- C17 H29 Mo N2 O3 P -","- C34 H58 Mo2 N4 O6 P2 -","2","1","","Nakazawa, Hiroshi; Ohba, Masaharu; Itazaki, Masumi","Synthesis and Reactivity of a Phosphite−Boryl Complex of Molybdenum: Formation of (η5-C5Me5)Mo(CO)3(BH2·phosphite) and Its Mo−B, B−P, and B−H Bond Reactions","Organometallics","2006","25","12","2903","","10.1021/om0603159","","","0.7107","MoKα","","0.0497","0.0478","","","0.1214","0.1223","","","","","","1.169","","","","has coordinates,has disorder","178643","2020-10-21","18:00:00",""
"4075479","11.665","0.003","28.63","0.007","11.17","0.003","90","","117.252","0.005","90","","3316.4","1.5","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H48 Ir2 N2 S2 -","- C34 H39 Ir2 N2 S2 -","- C136 H156 Ir8 N8 S8 -","4","1","","Miranda-Soto, Valentín; Pérez-Torrente, Jesús J.; Oro, Luis A.; Lahoz, Fernando J.; Martín, M. Luisa; Parra-Hake, Miguel; Grotjahn, Douglas B.","Effects of the Heterocycle and Its Substituents on Structure and Fluxionality in Rhodium(I) and Iridium(I) Complexes with the Hindered Thiolates 6-tert-Butylpyridine-2-thiolate and 1-Alkyl-4-tert-butylimidazole-2-thiolate (alkyl = methyl andtert-butyl)","Organometallics","2006","25","18","4374","","10.1021/om060317t","","","0.71073","MoKα","","0.0872","0.0532","","","0.089","0.0989","","","","","","1.025","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075480","12.0428","0.0014","12.705","0.0014","18.72","0.002","81.561","0.002","72.552","0.002","69.439","0.002","2555.6","0.5","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C56 H54 N2 O2 P2 Rh2 S2 -","- C56 H54 N2 O2 P2 Rh2 S2 -","- C112 H108 N4 O4 P4 Rh4 S4 -","2","1","","Miranda-Soto, Valentín; Pérez-Torrente, Jesús J.; Oro, Luis A.; Lahoz, Fernando J.; Martín, M. Luisa; Parra-Hake, Miguel; Grotjahn, Douglas B.","Effects of the Heterocycle and Its Substituents on Structure and Fluxionality in Rhodium(I) and Iridium(I) Complexes with the Hindered Thiolates 6-tert-Butylpyridine-2-thiolate and 1-Alkyl-4-tert-butylimidazole-2-thiolate (alkyl = methyl andtert-butyl)","Organometallics","2006","25","18","4374","","10.1021/om060317t","","","0.71073","MoKα","","0.0397","0.0315","","","0.0712","0.0745","","","","","","1.024","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075481","11.2689","0.0009","16.9773","0.0014","18.2119","0.0015","101.952","0.001","105.602","0.001","90.245","0.001","3276.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H100 N8 Rh4 S4 -","- C64 H72 N8 Rh4 S4 -","- C128 H144 N16 Rh8 S8 -","2","1","","Miranda-Soto, Valentín; Pérez-Torrente, Jesús J.; Oro, Luis A.; Lahoz, Fernando J.; Martín, M. Luisa; Parra-Hake, Miguel; Grotjahn, Douglas B.","Effects of the Heterocycle and Its Substituents on Structure and Fluxionality in Rhodium(I) and Iridium(I) Complexes with the Hindered Thiolates 6-tert-Butylpyridine-2-thiolate and 1-Alkyl-4-tert-butylimidazole-2-thiolate (alkyl = methyl andtert-butyl)","Organometallics","2006","25","18","4374","","10.1021/om060317t","","","0.71073","MoKα","","0.0652","0.052","","","0.1192","0.1258","","","","","","1.056","","","","has coordinates,has disorder","178643","2020-10-21","18:00:00",""
"4075482","10.4217","0.0007","20.8686","0.0014","18.8799","0.0012","90","","96.62","0.001","90","","4078.7","0.5","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C39 H66 N4 O Rh2 S2 -","- C39 H62 N4 O Rh2 S2 -","- C156 H248 N16 O4 Rh8 S8 -","4","1","","Miranda-Soto, Valentín; Pérez-Torrente, Jesús J.; Oro, Luis A.; Lahoz, Fernando J.; Martín, M. Luisa; Parra-Hake, Miguel; Grotjahn, Douglas B.","Effects of the Heterocycle and Its Substituents on Structure and Fluxionality in Rhodium(I) and Iridium(I) Complexes with the Hindered Thiolates 6-tert-Butylpyridine-2-thiolate and 1-Alkyl-4-tert-butylimidazole-2-thiolate (alkyl = methyl andtert-butyl)","Organometallics","2006","25","18","4374","","10.1021/om060317t","","","0.71073","MoKα","","0.0577","0.0444","","","0.1033","0.1103","","","","","","1.037","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075483","9.243","0.005","9.618","0.005","16.901","0.005","99.912","0.005","94.141","0.005","104.632","0.005","1421.5","1.1","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C30 H34 Ir N2 O P S -","- C30 H34 Ir N2 O P S -","- C60 H68 Ir2 N4 O2 P2 S2 -","2","1","","Miranda-Soto, Valentín; Pérez-Torrente, Jesús J.; Oro, Luis A.; Lahoz, Fernando J.; Martín, M. Luisa; Parra-Hake, Miguel; Grotjahn, Douglas B.","Effects of the Heterocycle and Its Substituents on Structure and Fluxionality in Rhodium(I) and Iridium(I) Complexes with the Hindered Thiolates 6-tert-Butylpyridine-2-thiolate and 1-Alkyl-4-tert-butylimidazole-2-thiolate (alkyl = methyl andtert-butyl)","Organometallics","2006","25","18","4374","","10.1021/om060317t","","","0.71069","MoKα","","0.0392","0.0318","","","0.0627","0.065","","","","","","1.046","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075484","9.3604","0.0002","10.6617","0.0002","11.8605","0.0002","85.673","0.001","78.553","0.001","75.044","0.001","1120.44","0.04","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 F10 N2 Zn -","- C20 H22 F10 N2 Zn -","- C40 H44 F20 N4 Zn2 -","2","1","","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Light, Mark E.","The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc","Organometallics","2006","25","16","3837","","10.1021/om060319d","","","0.71073","MoKα","","0.0378","0.0314","","","0.0729","0.0761","","","","","","1.046","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075485","8.9718","0.001","10.7059","0.0014","12.7667","0.001","95.767","0.009","96.916","0.008","91.488","0.011","1210.3","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 F10 N2 Zn -","- C26 H18 F10 N2 Zn -","- C52 H36 F20 N4 Zn2 -","2","1","","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Light, Mark E.","The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc","Organometallics","2006","25","16","3837","","10.1021/om060319d","","","0.71073","MoKα","","0.104","0.0966","","","0.2525","0.2608","","","","","","1.055","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075486","17.2494","0.0003","6.8268","0.0002","16.9013","0.0004","90","","113.509","0.001","90","","1825.07","0.08","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H14 F10 N2 Zn -","- C16 H14 F10 N2 Zn -","- C64 H56 F40 N8 Zn4 -","4","0.5","","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Light, Mark E.","The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc","Organometallics","2006","25","16","3837","","10.1021/om060319d","","","0.71073","MoKα","","0.0206","0.0197","","","0.0534","0.0539","","","","","","1.057","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075487","10.1667","0.0003","12.6768","0.0002","21.2601","0.0006","90","","90.659","0.001","90","","2739.85","0.12","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H22 F10 N2 Zn -","- C28 H22 F10 N2 Zn -","- C112 H88 F40 N8 Zn4 -","4","1","","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Light, Mark E.","The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc","Organometallics","2006","25","16","3837","","10.1021/om060319d","","","0.71073","MoKα","","0.0557","0.0353","","","0.0797","0.0876","","","","","","1.015","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075488","11.14","0.0003","11.6904","0.0003","15.1739","0.0004","78.78","0.002","80.701","0.002","62.503","0.001","1713.52","0.08","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H30 F10 N2 Zn -","- C40 H30 F10 N2 Zn -","- C80 H60 F20 N4 Zn2 -","2","1","","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Light, Mark E.","The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc","Organometallics","2006","25","16","3837","","10.1021/om060319d","","","0.71073","MoKα","","0.046","0.0333","","","0.0733","0.0782","","","","","","1.047","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075489","10.3253","0.0002","13.5674","0.0003","14.9591","0.0003","90","","90","","90","","2095.58","0.07","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C20 H18 F10 N2 Zn -","- C20 H18 F10 N2 Zn -","- C80 H72 F40 N8 Zn4 -","4","0.5","","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Light, Mark E.","The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc","Organometallics","2006","25","16","3837","","10.1021/om060319d","","","0.71073","MoKα","","0.034","0.03","","","0.0744","0.0776","","","","","","1.056","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075490","7.075","0.009","18.435","0.009","17.723","0.009","90","","93.84","0.08","90","","2306","3","140","1","140","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 F10 N2 Zn -","- C22 H22 F10 N2 Zn -","- C88 H88 F40 N8 Zn4 -","4","1","","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Light, Mark E.","The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc","Organometallics","2006","25","16","3837","","10.1021/om060319d","","","0.71073","Mo-Kα","","0.0552","0.0434","","","0.0977","0.1011","","","","","","1.127","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075491","22.8942","0.0006","8.7771","0.0002","16.1559","0.0003","90","","118.437","0.001","90","","2854.73","0.12","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C30 H26 F10 N2 Zn -","- C30 H26 F10 N2 Zn -","- C120 H104 F40 N8 Zn4 -","4","0.5","","Mountford, Andrew J.; Lancaster, Simon J.; Coles, Simon J.; Horton, Peter N.; Hughes, David L.; Hursthouse, Michael B.; Light, Mark E.","The Synthesis, Molecular Structures, and Supramolecular Architecture of Amine Adducts of Bis(pentafluorophenyl)zinc","Organometallics","2006","25","16","3837","","10.1021/om060319d","","","0.71073","MoKα","","0.0317","0.0294","","","0.0756","0.0772","","","","","","1.084","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075492","13.183","0.005","10.707","0.005","13.35","0.005","90","","106.33","0.03","90","","1808.3","1.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(?5-cyclopentadienyl)iron(dicarbonyl)hexamethyltrisilacyclopentane","","- C13 H22 Fe O2 Si3 -","- C13 H22 Fe O2 Si3 -","- C52 H88 Fe4 O8 Si12 -","4","1","","Sharma, Hemant K.; Cervantes-Lee, Francisco; Pannell, Keith H.","Photochemical Ring-Contraction of a Tetrasilaferracyclohexane of the (η5-C5H4)Fe(CO)2System to Trisilaferracyclopentanes","Organometallics","2006","25","16","3969","","10.1021/om060320c","","","0.71073","MoKα","","0.0633","0.0426","","","0.0989","0.1103","","","","","","1.014","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075493","13.363","0.002","14.929","0.003","31.447","0.005","90","","98.188","0.003","90","","6209.6","1.8","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","(Eta5-cyclopentadienyl)iron(carbonyl)triphenylphosphine hexamethyltrisilacyclopentane","","- C30 H37 Fe O P Si3 -","- C30 H37 Fe O P Si3 -","- C240 H296 Fe8 O8 P8 Si24 -","8","1","","Sharma, Hemant K.; Cervantes-Lee, Francisco; Pannell, Keith H.","Photochemical Ring-Contraction of a Tetrasilaferracyclohexane of the (η5-C5H4)Fe(CO)2System to Trisilaferracyclopentanes","Organometallics","2006","25","16","3969","","10.1021/om060320c","","","0.71073","MoKα","","0.0827","0.0708","","","0.1572","0.1639","","","","","","1.252","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075494","10.7643","0.0004","18.1469","0.0008","14.5661","0.0007","90","","105.504","0.002","90","","2741.8","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H25 F2 Ir N2 O2 -","- C35 H25 F2 Ir N2 O2 -","- C140 H100 F8 Ir4 N8 O8 -","4","1","","Yang, Cheng-Hsien; Su, Wei-Lin; Fang, Kai-Hung; Wang, Shao-Pin; Sun, I-Wen","Studies of the 5‘-Substituted Phenylisoquinoline-Based Iridium Complexes Using Density Functional Theory","Organometallics","2006","25","19","4514","","10.1021/om060323p","","","0.71073","MoKα","","0.145","0.0812","","","0.1727","0.2089","","","","","","1.12","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075495","9.4672","0.0005","9.5559","0.0005","18.1476","0.0009","89.988","0.001","81.515","0.001","64.473","0.001","1461.59","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H10 O12 Os3 Sn -","- C24 H10 O12 Os3 Sn -","- C48 H20 O24 Os6 Sn2 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Cluster Fragmentation and Facile Cleavage of Phenyl Groups from the SnPh3Ligand in Reactions of Os3(CO)11(SnPh3)(μ-H) with CO and HSnPh3","Organometallics","2006","25","17","4183","","10.1021/om0603262","","","0.71073","MoKα","","0.0559","0.0349","","","0.0722","0.09","","","","","","1.043","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075496","32.3449","0.0012","10.1687","0.0004","17.0856","0.0006","90","","110.197","0.001","90","","5274","0.3","294","2","294","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 O16 Os4 Sn -","- C16 O16 Os4 Sn -","- C128 O128 Os32 Sn8 -","8","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Cluster Fragmentation and Facile Cleavage of Phenyl Groups from the SnPh3Ligand in Reactions of Os3(CO)11(SnPh3)(μ-H) with CO and HSnPh3","Organometallics","2006","25","17","4183","","10.1021/om0603262","","","0.71073","MoKα","","0.0516","0.0354","","","0.0693","0.0796","","","","","","1.053","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075497","11.224","0.0003","11.3303","0.0003","16.097","0.0004","93.721","0.001","109.943","0.001","110.146","0.001","1767.59","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C39 H31 O3 Os Sn2 -","- C39 H31 O3 Os Sn2 -","- C78 H62 O6 Os2 Sn4 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Cluster Fragmentation and Facile Cleavage of Phenyl Groups from the SnPh3Ligand in Reactions of Os3(CO)11(SnPh3)(μ-H) with CO and HSnPh3","Organometallics","2006","25","17","4183","","10.1021/om0603262","","","0.71073","MoKα","","0.0232","0.0198","","","0.0496","0.0572","","","","","","1.149","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075498","9.667","0.0004","10.8704","0.0004","11.2785","0.0004","67.827","0.001","88.862","0.001","83.898","0.001","1091.06","0.07","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 O4 Os Sn -","- C22 H16 O4 Os Sn -","- C44 H32 O8 Os2 Sn2 -","2","1","","Adams, Richard D.; Captain, Burjor; Zhu, Lei","Cluster Fragmentation and Facile Cleavage of Phenyl Groups from the SnPh3Ligand in Reactions of Os3(CO)11(SnPh3)(μ-H) with CO and HSnPh3","Organometallics","2006","25","17","4183","","10.1021/om0603262","","","0.71073","MoKα","","0.0224","0.0195","","","0.0469","0.0483","","","","","","1.051","","","","has coordinates","178643","2020-10-21","18:00:00",""
"4075499","22.2379","0.0011","7.6304","0.0004","10.6537","0.0005","90","","105.292","0.001","90","","1743.76","0.15","86","2","86","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Fec-CH2-triazole-AgNO3 polymer","","","- C16 H16 Ag Fe N7 O3 -","- C16 H16 Ag Fe N7 O3 -","- C64 H64 Ag4 Fe4 N28 O12 -","4","0.5","","Gao, Ye; Twamley, Brendan; Shreeve, Jean'ne M.","Supramolecular Networks Using Ferrocenyl Ditriazole and Diimidazole Bridges","Organometallics","2006","25","14","3364","","10.1021/om060327u","","","0.71073","MoKα","","0.031","0.0294","","","0.0651","0.0659","","","","","","1.04","","","","has coordinates,has disorder","178643","2020-10-21","18:00:00",""
"4075500","7.0577","0.0003","8.5381","0.0004","15.1071","0.0006","98.342","0.001","92.997","0.001","112.781","0.001","824.56","0.06","86","2","86","2","","","","","","","","6","P -1","-P 1","2","Fec-CH2-triazole-CdCl2)n polymer","","","- C32 H32 Cd Cl2 Fe2 N12 -","- C32 H32 Cd Cl2 Fe2 N12 -","- C32 H32 Cd Cl2 Fe2 N12 -","1","0.5","","Gao, Ye; Twamley, Brendan; Shreeve, Jean'ne M.","Supramolecular Networks Using Ferrocenyl Ditriazole and Diimidazole Bridges","Organometallics","2006","25","14","3364","","10.1021/om060327u","","","0.71073","MoKα","","0.0327","0.029","","","0.0648","0.0664","","","","","","1.05","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075501","7.3608","0.0004","11.1924","0.0006","12.0129","0.0006","71.008","0.001","75.759","0.001","84.464","0.001","906.91","0.08","86","2","86","2","","","","","","","","6","P -1","-P 1","2","(Fec-CH2-triazole)ZnCl2)n","","","- C16 H16 Cl2 Fe N6 Zn -","- C16 H16 Cl2 Fe N6 Zn -","- C32 H32 Cl4 Fe2 N12 Zn2 -","2","1","","Gao, Ye; Twamley, Brendan; Shreeve, Jean'ne M.","Supramolecular Networks Using Ferrocenyl Ditriazole and Diimidazole Bridges","Organometallics","2006","25","14","3364","","10.1021/om060327u","","","0.71073","MoKα","","0.0221","0.0211","","","0.0539","0.0545","","","","","","1.024","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075502","14.902","0.001","11.6328","0.0008","13.34","0.001","90","","117.339","0.001","90","","2054.2","0.3","86","2","86","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","(Fec-CH2-Me-imidazole-ZnCl2)n","","","- C20 H22 Cl2 Fe N4 Zn -","- C20 H22 Cl2 Fe N4 Zn -","- C80 H88 Cl8 Fe4 N16 Zn4 -","4","0.5","","Gao, Ye; Twamley, Brendan; Shreeve, Jean'ne M.","Supramolecular Networks Using Ferrocenyl Ditriazole and Diimidazole Bridges","Organometallics","2006","25","14","3364","","10.1021/om060327u","","","0.71073","MoKα","","0.0508","0.037","","","0.078","0.0828","","","","","","1.092","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075503","14.4482","0.0005","19.715","0.0009","16.8746","0.0007","90","","102.968","0.003","90","","4684.1","0.3","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C42 H52 B11 Cl2 Fe P3 Sn -","- C42 H50.567 B11 Cl2 Fe P3 Sn -","- C168 H202.268 B44 Cl8 Fe4 P12 Sn4 -","4","1","","Gädt, Torben; Eichele, Klaus; Wesemann, Lars","Bimetallic Zwitterionic Complexes with an Ambident Stanna-closo-dodecaborate Ligand: [1-{M(CO)5}-2,7,8-(μ-H)3-{Fe(triphos)}-SnB11H11] (M = Cr, Mo, W)","Organometallics","2006","25","16","3904","","10.1021/om060328m","","","0.71073","MoKα","","0.0482","0.0433","","","0.1007","0.1036","","","","","","1.1","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075504","23.164","0.0008","20.279","0.0009","27.1721","0.001","90","","112.21","0.003","90","","11816.9","0.8","173","2","173","2","","","","","","","","9","P 1 21/a 1","-P 2yab","14","","","","- C96 H108 B22 Cl8 Fe2 Mo2 O10 P6 Sn2 -","- C96 H108 B22 Cl8 Fe2 Mo2 O10 P6 Sn2 -","- C384 H432 B88 Cl32 Fe8 Mo8 O40 P24 Sn8 -","4","1","","Gädt, Torben; Eichele, Klaus; Wesemann, Lars","Bimetallic Zwitterionic Complexes with an Ambident Stanna-closo-dodecaborate Ligand: [1-{M(CO)5}-2,7,8-(μ-H)3-{Fe(triphos)}-SnB11H11] (M = Cr, Mo, W)","Organometallics","2006","25","16","3904","","10.1021/om060328m","","","0.71073","MoKα","","0.1622","0.0808","","","0.1256","0.1511","","","","","","1.055","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075505","16.7406","0.0006","17.863","0.0005","19.7267","0.0007","90","","90","","90","","5899","0.3","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C53 H68 B11 Fe N6 P3 Sn -","- C53 H68 B11 Fe N6 P3 Sn -","- C212 H272 B44 Fe4 N24 P12 Sn4 -","4","1","","Gädt, Torben; Eichele, Klaus; Wesemann, Lars","Bimetallic Zwitterionic Complexes with an Ambident Stanna-closo-dodecaborate Ligand: [1-{M(CO)5}-2,7,8-(μ-H)3-{Fe(triphos)}-SnB11H11] (M = Cr, Mo, W)","Organometallics","2006","25","16","3904","","10.1021/om060328m","","","0.71073","MoKα","","0.0812","0.0644","","","0.1166","0.1225","","","","","","1.142","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075506","12.0705","0.0009","13.263","0.001","21.0976","0.0016","76.283","0.006","77.687","0.006","70.274","0.006","3055.7","0.4","173","","173","2","","","","","","","","8","P -1","-P 1","2","","","","- C54 H66 B11 Cr Fe O7 P3 Sn -","- C54 H66 B11 Cr Fe O7 P3 Sn -","- C108 H132 B22 Cr2 Fe2 O14 P6 Sn2 -","2","1","","Gädt, Torben; Eichele, Klaus; Wesemann, Lars","Bimetallic Zwitterionic Complexes with an Ambident Stanna-closo-dodecaborate Ligand: [1-{M(CO)5}-2,7,8-(μ-H)3-{Fe(triphos)}-SnB11H11] (M = Cr, Mo, W)","Organometallics","2006","25","16","3904","","10.1021/om060328m","","","0.71073","MoKα","","0.1241","0.0812","","","0.1503","0.1692","","","","","","1.16","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075507","13.7646","0.0006","20.3159","0.0009","21.7745","0.0011","90","","102.298","0.004","90","","5949.3","0.5","173","2","173","2","","","","","","","","9","P 1 21/n 1","-P 2yn","14","","","","- C48 H54 B11 Cl4 Fe O5 P3 Sn W -","- C48 H54 B11 Cl4 Fe O5 P3 Sn W -","- C192 H216 B44 Cl16 Fe4 O20 P12 Sn4 W4 -","4","1","","Gädt, Torben; Eichele, Klaus; Wesemann, Lars","Bimetallic Zwitterionic Complexes with an Ambident Stanna-closo-dodecaborate Ligand: [1-{M(CO)5}-2,7,8-(μ-H)3-{Fe(triphos)}-SnB11H11] (M = Cr, Mo, W)","Organometallics","2006","25","16","3904","","10.1021/om060328m","","","0.71073","MoKα","","0.0962","0.0605","","","0.1148","0.1278","","","","","","1.052","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075508","15.4404","0.0004","14.5893","0.0005","18.4586","0.0005","90","","90","","90","","4158.1","0.2","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H40 Li N3 Zn -","- C17 H40 Li N3 Zn -","- C136 H320 Li8 N24 Zn8 -","8","1","","Graham, David V.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.","Lithium Dimethyl(amido)zinc Complexes: Contrasting Zincate (Amido = TMP) and Inverse Zincate (Amido = HMDS) Structures on Addition of TMEDA","Organometallics","2006","25","14","3297","","10.1021/om060334i","","","0.71073","MoKα","","0.102","0.0414","","","0.0664","0.0806","","","","","","1.006","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075509","11.3371","0.0003","19.7104","0.0005","15.9168","0.0004","90","","103.807","0.002","90","","3453.98","0.16","123","2","123","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H58 Li2 N4 Si4 Zn -","- C20 H58 Li2 N4 Si4 Zn -","- C80 H232 Li8 N16 Si16 Zn4 -","4","1","","Graham, David V.; Hevia, Eva; Kennedy, Alan R.; Mulvey, Robert E.","Lithium Dimethyl(amido)zinc Complexes: Contrasting Zincate (Amido = TMP) and Inverse Zincate (Amido = HMDS) Structures on Addition of TMEDA","Organometallics","2006","25","14","3297","","10.1021/om060334i","","","0.71073","MoKα","","0.0586","0.0362","","","0.0762","0.0863","","","","","","1.028","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075510","21.656","0.003","15.7285","0.0013","8.4351","0.0009","90","","90","","90","","2873.1","0.6","193","2","193","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C20 H30 Cu2 I2 Mo2 S4 -","- C20 H30 Cu2 I2 Mo2 S4 -","- C80 H120 Cu8 I8 Mo8 S16 -","4","0.5","","Ren, Zhi-Gang; Li, Hong-Xi; Liu, Guang-Fei; Zhang, Wen-Hua; Lang, Jian-Ping; Zhang, Yong; Song, Ying-Lin","Synthesis of Two Heterobimetallic Cluster Isomers [(η5-C5Me5)2Mo2(μ3-S)3S(CuI)2] and [(η5-C5Me5)2Mo2(μ3-S)4(CuI)2] fromtrans-[(η5-C5Me5)2Mo2(μ-S)2S2] and Theirtrans-to-cisIsomerization, Structures, and Third-Order NLO Properties","Organometallics","2006","25","18","4351","","10.1021/om060335a","","","0.7107","MoKα","","0.0263","0.0244","","","0.0501","0.0508","","","","","","1.227","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075511","8.9036","0.0018","10.776","0.002","20.028","0.004","83.35","0.03","87.73","0.03","68.51","0.03","1776","0.7","193","2","193","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H34 Cl4 Cu2 I2 Mo2 S4 -","- C22 H34 Cl4 Cu2 I2 Mo2 S4 -","- C44 H68 Cl8 Cu4 I4 Mo4 S8 -","2","1","","Ren, Zhi-Gang; Li, Hong-Xi; Liu, Guang-Fei; Zhang, Wen-Hua; Lang, Jian-Ping; Zhang, Yong; Song, Ying-Lin","Synthesis of Two Heterobimetallic Cluster Isomers [(η5-C5Me5)2Mo2(μ3-S)3S(CuI)2] and [(η5-C5Me5)2Mo2(μ3-S)4(CuI)2] fromtrans-[(η5-C5Me5)2Mo2(μ-S)2S2] and Theirtrans-to-cisIsomerization, Structures, and Third-Order NLO Properties","Organometallics","2006","25","18","4351","","10.1021/om060335a","","","0.71073","MoKα","","0.0417","0.0349","","","0.0813","0.086","","","","","","1.07","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075512","10.1149","0.0009","12.7796","0.0012","18.645","0.0017","106.17","0.002","90.244","0.002","100.614","0.002","2271.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H63 Li Mg O3 -","- C41 H63 Li Mg O3 -","- C82 H126 Li2 Mg2 O6 -","2","1","","Hsueh, Mao-Lin; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh; Wu, Tzong-Ming; Hsu, Sung-Fu","Synthesis, Structure, and Catalytic Studies of Mixed Lithium−Magnesium and Sodium−Magnesium Complexes: Highly Isospecific Initiators for Polymerization of Methyl Methacrylate","Organometallics","2006","25","17","4144","","10.1021/om0603363","","","0.71073","MoKα","","0.1501","0.0857","","","0.2349","0.2759","","","","","","1.033","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075513","23.051","0.002","17.2273","0.0016","24.441","0.002","90","","109.371","0.002","90","","9156.2","1.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C90 H134 Li2 Mg2 O8 -","- C90 H134 Li2 Mg2 O8 -","- C360 H536 Li8 Mg8 O32 -","4","1","","Hsueh, Mao-Lin; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh; Wu, Tzong-Ming; Hsu, Sung-Fu","Synthesis, Structure, and Catalytic Studies of Mixed Lithium−Magnesium and Sodium−Magnesium Complexes: Highly Isospecific Initiators for Polymerization of Methyl Methacrylate","Organometallics","2006","25","17","4144","","10.1021/om0603363","","","0.71073","MoKα","","0.2124","0.0631","","","0.1327","0.1664","","","","","","0.964","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075514","36.162","0.003","14.5967","0.001","28.07","0.002","90","","101.804","0.002","90","","14503.3","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C62 H93 Na4 O4.5 -","- C62 H93 Na4 O4.5 -","- C496 H744 Na32 O36 -","8","1","","Hsueh, Mao-Lin; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh; Wu, Tzong-Ming; Hsu, Sung-Fu","Synthesis, Structure, and Catalytic Studies of Mixed Lithium−Magnesium and Sodium−Magnesium Complexes: Highly Isospecific Initiators for Polymerization of Methyl Methacrylate","Organometallics","2006","25","17","4144","","10.1021/om0603363","","","0.71073","MoKα","","0.1198","0.0688","","","0.1818","0.2099","","","","","","1.046","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075515","20.7678","0.0012","21.2375","0.0011","18.4101","0.0011","90","","90","","90","","8119.9","0.8","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C38 H63 Mg Na O3 -","- C38 H63 Mg Na O3 -","- C304 H504 Mg8 Na8 O24 -","8","1","","Hsueh, Mao-Lin; Ko, Bao-Tsan; Athar, Taimur; Lin, Chu-Chieh; Wu, Tzong-Ming; Hsu, Sung-Fu","Synthesis, Structure, and Catalytic Studies of Mixed Lithium−Magnesium and Sodium−Magnesium Complexes: Highly Isospecific Initiators for Polymerization of Methyl Methacrylate","Organometallics","2006","25","17","4144","","10.1021/om0603363","","","0.71073","MoKα","","0.1418","0.0648","","","0.1723","0.2054","","","","","","1.013","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075516","15.6626","0.001","12.1938","0.0007","13.3061","0.0008","90","","111.5","0.001","90","","2364.5","0.2","153","2","153","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H29 B N7 O2 P W -","- C20 H29 B N7 O2 P W -","- C80 H116 B4 N28 O8 P4 W4 -","4","1","","Todd, Michael A.; Grachan, Melissa L.; Sabat, Michal; Myers, William H.; Harman, W. Dean","Common Electrophilic Addition Reactions at the Phenol Ring: The Chemistry of TpW(NO)(PMe3)(η2-phenol)","Organometallics","2006","25","16","3948","","10.1021/om060339f","","","0.71073","MoKα","","0.039","0.0325","","","0.076","0.0786","","","","","","1.062","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075517","10.0602","0.0006","10.2513","0.0006","25.4342","0.0016","90","","94.955","0.001","90","","2613.2","0.3","153","2","153","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 B N7 O2 P W -","- C25 H29 B N7 O2 P W -","- C100 H116 B4 N28 O8 P4 W4 -","4","1","","Todd, Michael A.; Grachan, Melissa L.; Sabat, Michal; Myers, William H.; Harman, W. Dean","Common Electrophilic Addition Reactions at the Phenol Ring: The Chemistry of TpW(NO)(PMe3)(η2-phenol)","Organometallics","2006","25","16","3948","","10.1021/om060339f","","","0.71073","MoKα","","0.0665","0.0387","","","0.0622","0.0665","","","","","","0.811","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075518","12.96","0.001","14.822","0.0011","20.9965","0.0016","90","","90","","90","","4033.3","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H71 O2 P4 Rh -","- C37 H71 O2 P4 Rh -","- C148 H284 O8 P16 Rh4 -","4","1","","Axtell, Alex T.; Klosin, Jerzy; Abboud, Khalil A.","Evaluation of Asymmetric Hydrogenation Ligands in Asymmetric Hydroformylation Reactions. Highly Enantioselective Ligands Based on Bis-phosphacycles","Organometallics","2006","25","21","5003","","10.1021/om060340e","","","0.71073","MoKα","","0.0839","0.0567","","","0.1241","0.1357","","","","","","1","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075519","11.0103","0.0004","11.0103","0.0004","33.178","0.003","90","","90","","120","","3483.2","0.4","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C21 H39 O2 P2 Rh -","- C21 H39 O2 P2 Rh -","- C126 H234 O12 P12 Rh6 -","6","1","","Axtell, Alex T.; Klosin, Jerzy; Abboud, Khalil A.","Evaluation of Asymmetric Hydrogenation Ligands in Asymmetric Hydroformylation Reactions. Highly Enantioselective Ligands Based on Bis-phosphacycles","Organometallics","2006","25","21","5003","","10.1021/om060340e","","","0.71073","MoKα","","0.0304","0.027","","","0.0561","0.057","","","","","","1.063","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075520","10.819","0.0003","10.464","0.0004","20.272","0.0006","90","","101.693","0.002","90","","2247.37","0.13","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","ana100","","","- C50 H34 F10 P2 Pt -","- C50 H34 F10 P2 Pt -","- C100 H68 F20 P4 Pt2 -","2","1","","García, Ana; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Contrasting Thermal and Photochemical Intramolecular Coupling in Alkynylphosphine Platinum(II) Complexes","Organometallics","2006","25","16","3926","","10.1021/om060342z","","","0.71073","MoKα","","0.0407","0.0349","","","0.0788","0.0823","","","","","","1.077","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075521","11.0706","0.0002","17.8513","0.0003","11.1888","0.0002","90","","93.491","0.001","90","","2207.08","0.07","173","1","173","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","agf41","","","- C48 H38 F10 P2 Pt -","- C48 H38 F10 P2 Pt -","- C96 H76 F20 P4 Pt2 -","2","0.5","","García, Ana; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Contrasting Thermal and Photochemical Intramolecular Coupling in Alkynylphosphine Platinum(II) Complexes","Organometallics","2006","25","16","3926","","10.1021/om060342z","","","0.71073","MoKα","","0.0554","0.0314","","","0.0705","0.0779","","","","","","1.036","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075522","11.7815","0.0002","12.7708","0.0003","15.9553","0.0004","73.604","0.001","83.716","0.001","71.13","0.001","2178.79","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","ana156","","","- C45 H27 Cl3 F10 P2 Pt -","- C45 H27 Cl3 F10 P2 Pt -","- C90 H54 Cl6 F20 P4 Pt2 -","2","1","","García, Ana; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Contrasting Thermal and Photochemical Intramolecular Coupling in Alkynylphosphine Platinum(II) Complexes","Organometallics","2006","25","16","3926","","10.1021/om060342z","","","0.71073","MoKα","","0.0676","0.0485","","","0.1144","0.1261","","","","","","1.026","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075523","10.6341","0.0002","15.9946","0.0003","22.678","0.0004","90","","91.355","0.001","90","","3856.18","0.12","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","ana145","","","- C44 H26 F10 P2 Pt -","- C44 H26 F10 P2 Pt -","- C176 H104 F40 P8 Pt4 -","4","1","","García, Ana; Gómez, Julio; Lalinde, Elena; Moreno, M. Teresa","Contrasting Thermal and Photochemical Intramolecular Coupling in Alkynylphosphine Platinum(II) Complexes","Organometallics","2006","25","16","3926","","10.1021/om060342z","","","0.71073","MoKα","","0.0838","0.0429","","","0.068","0.0788","","","","","","1.05","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075524","14.894","0.0006","15.0136","0.0006","23.2831","0.0009","90","","104.5","0.001","90","","5040.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H30 I Ir N2 -","- C27 H30 I Ir N2 -","- C216 H240 I8 Ir8 N16 -","8","2","","Corberán, Rosa; Sanaú, Mercedes; Peris, Eduardo","Aliphatic and Aromatic Intramolecular C−H Activation on Cp*Ir(NHC) Complexes","Organometallics","2006","25","16","4002","","10.1021/om060343r","","","0.71073","MoKα","","0.1487","0.0539","","","0.0965","0.1215","","","","","","0.953","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075525","11.3533","0.0009","8.4587","0.0006","26.431","0.002","90","","98.643","0.002","90","","2509.5","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 I Ir N2 -","- C27 H30 I Ir N2 -","- C108 H120 I4 Ir4 N8 -","4","1","","Corberán, Rosa; Sanaú, Mercedes; Peris, Eduardo","Aliphatic and Aromatic Intramolecular C−H Activation on Cp*Ir(NHC) Complexes","Organometallics","2006","25","16","4002","","10.1021/om060343r","","","0.71073","MoKα","","0.0392","0.0262","","","0.0512","0.0549","","","","","","1.037","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075526","9.4872","0.0006","21.0737","0.0013","11.7786","0.0007","90","","90.959","0.002","90","","2354.6","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 Cl Ir N2 -","- C24 H32 Cl Ir N2 -","- C96 H128 Cl4 Ir4 N8 -","4","1","","Corberán, Rosa; Sanaú, Mercedes; Peris, Eduardo","Aliphatic and Aromatic Intramolecular C−H Activation on Cp*Ir(NHC) Complexes","Organometallics","2006","25","16","4002","","10.1021/om060343r","","","0.71073","MoKα","","0.1078","0.047","","","0.0774","0.0914","","","","","","0.992","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075527","10.049","0.003","17.105","0.004","17.623","0.01","90","","95.5","0.04","90","","3015","2","143","2","143","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H37 N2 O7 P Si2 W -","- C23 H37 N2 O7 P Si2 W -","- C92 H148 N8 O28 P4 Si8 W4 -","4","1","","Streubel, Rainer; Wilkens, Hendrik; Ruthe, Frank; Jones, Peter G.","1,2-Azaphosphol-5-ene Complexes through Metal-Assisted Synthesis","Organometallics","2006","25","20","4830","","10.1021/om060344j","","","0.71073","MoKα","","0.0422","0.0329","","","0.0768","0.0822","","","","","","1.035","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075528","11.714","0.0006","13.5611","0.0007","25.5245","0.0012","90","","97.55","0.001","90","","4019.5","0.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","[RuCp(IPri)(CH3CN)2]PF6.CH3CN","","","- C38 H50 F6 N5 P Ru -","- C38 H50 F6 N5 P Ru -","- C152 H200 F24 N20 P4 Ru4 -","4","1","","Becker, Eva; Stingl, Verena; Mereiter, Kurt; Kirchner, Karl","Formation of a Half-Sandwich Triscarbene Ruthenium Complex: Oxidative Coupling of 2,7-Nonadiyne Mediated by [RuCp(IPri)(CH3CN)2]+(IPri= 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)","Organometallics","2006","25","17","4166","","10.1021/om060345b","","","0.71073","MoKα","","0.0376","0.0321","","","0.0853","0.0902","","","","","","1.049","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4075529","12.6022","0.0006","25.3077","0.0012","13.293","0.0006","90","","100.426","0.001","90","","4169.6","0.3","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","[RuCp(IPri)(=C2(CH3)2C2(CH2)3)]PF6.CH2Cl2","","","- C42 H55 Cl2 F6 N2 P Ru -","- C42 H54.686 Cl2.12 F6 N2 P Ru -","- C168 H218.744 Cl8.48 F24 N8 P4 Ru4 -","4","1","","Becker, Eva; Stingl, Verena; Mereiter, Kurt; Kirchner, Karl","Formation of a Half-Sandwich Triscarbene Ruthenium Complex: Oxidative Coupling of 2,7-Nonadiyne Mediated by [RuCp(IPri)(CH3CN)2]+(IPri= 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)","Organometallics","2006","25","17","4166","","10.1021/om060345b","","","0.71073","MoKα","","0.0339","0.0304","","","0.076","0.0783","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075530","17.4698","0.0008","24.6082","0.0011","7.3072","0.0003","90","","90","","90","","3141.4","0.2","136","2","136","2","","","","","","","","2","P c c n","-P 2ab 2ac","56","","","","- C21 H26 -","- C21 H26 -","- C168 H208 -","8","1","","Bazinet, Patrick; Tupper, Karl A.; Tilley, T. Don","Octa- and Nonamethylfluorene and an Electron-Rich Permethylfluorenyl Ruthenocene Derivative","Organometallics","2006","25","18","4286","","10.1021/om0603464","","","0.71073","MoKα","","0.0524","0.0387","","","0.0955","0.0988","","","","","","1.014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4075531","23.89","0.02","9.191","0.009","15.89","0.014","90","","101.06","0.02","90","","3424","5","157","2","157","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 -","- C22 H28 -","- C176 H224 -","8","1","","Bazinet, Patrick; Tupper, Karl A.; Tilley, T. Don","Octa- and Nonamethylfluorene and an Electron-Rich Permethylfluorenyl Ruthenocene Derivative","Organometallics","2006","25","18","4286","","10.1021/om0603464","","","0.71073","MoKα","","0.1228","0.0762","","","0.2175","0.2476","","","","","","1.219","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075532","11.262","0.003","31.713","0.01","7.774","0.002","90","","113.492","0.004","90","","2546.4","1.2","127","2","127","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C32 H42 Ru -","- C32 H42 Ru -","- C128 H168 Ru4 -","4","1","","Bazinet, Patrick; Tupper, Karl A.; Tilley, T. Don","Octa- and Nonamethylfluorene and an Electron-Rich Permethylfluorenyl Ruthenocene Derivative","Organometallics","2006","25","18","4286","","10.1021/om0603464","","","0.71073","MoKα","","0.0368","0.0343","","","0.0876","0.0899","","","","","","1.07","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075533","8.551","0.009","9.521","0.009","9.873","0.011","91.59","0.02","91.034","0.02","94.29","0.02","801.1","1.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H30 Cl P Pd -","- C13 H30 Cl P Pd -","- C26 H60 Cl2 P2 Pd2 -","2","1","","Yamashita, Makoto; Takamiya, Ikuko; Jin, Koichiro; Nozaki, Kyoko","Syntheses and Structures of Bulky Monophosphine-Ligated Methylpalladium Complexes: Application to Homo- and Copolymerization of Norbornene and/or Methoxycarbonylnorbornene","Organometallics","2006","25","19","4588","","10.1021/om060347w","","","0.7107","MoKα","","0.0322","0.0315","","","0.0916","0.0918","","","","","","1.213","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075534","9.385","0.018","10.88","0.02","11.97","0.02","81.62","0.09","80.91","0.09","83.78","0.09","1189","4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 Cl4 P Pd -","- C23 H25 Cl4 P Pd -","- C46 H50 Cl8 P2 Pd2 -","2","1","","Yamashita, Makoto; Takamiya, Ikuko; Jin, Koichiro; Nozaki, Kyoko","Syntheses and Structures of Bulky Monophosphine-Ligated Methylpalladium Complexes: Application to Homo- and Copolymerization of Norbornene and/or Methoxycarbonylnorbornene","Organometallics","2006","25","19","4588","","10.1021/om060347w","","","0.7107","MoKα","","0.0398","0.0357","","","0.0809","0.0823","","","","","","0.961","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075535","8.0898","0.001","16.728","0.0013","14.8439","0.0018","90","0.0013","104.996","0.0015","90","0.0013","1940.4","0.4","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C14 H30 F3 O3 P Pd S -","- C14 H30 F3 O3 P Pd S -","- C56 H120 F12 O12 P4 Pd4 S4 -","4","1","","Yamashita, Makoto; Takamiya, Ikuko; Jin, Koichiro; Nozaki, Kyoko","Syntheses and Structures of Bulky Monophosphine-Ligated Methylpalladium Complexes: Application to Homo- and Copolymerization of Norbornene and/or Methoxycarbonylnorbornene","Organometallics","2006","25","19","4588","","10.1021/om060347w","","","0.7107","MoKα","","0.023","0.0219","","","0.0522","0.0528","","","","","","1.078","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075536","9.727","0.002","10.568","0.002","13.079","0.003","67.835","0.011","74.702","0.012","72.953","0.011","1172.4","0.4","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H24 F3 O3 P Pd S -","- C23 H24 F3 O3 P Pd S -","- C46 H48 F6 O6 P2 Pd2 S2 -","2","1","","Yamashita, Makoto; Takamiya, Ikuko; Jin, Koichiro; Nozaki, Kyoko","Syntheses and Structures of Bulky Monophosphine-Ligated Methylpalladium Complexes: Application to Homo- and Copolymerization of Norbornene and/or Methoxycarbonylnorbornene","Organometallics","2006","25","19","4588","","10.1021/om060347w","","","0.7107","MoKα","","0.0211","0.0202","","","0.0519","0.0524","","","","","","1.055","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075537","8.2756","0.0005","15.8362","0.0009","16.2107","0.001","110.21","0.001","92.539","0.001","103.155","0.001","1923.7","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","bis-(eta2-corannulene)-tetracarbonyl-bis(trifluoroacetato-O,O')-diruthenium(I,I)","","- C48 H20 F6 O8 Ru2 -","- C48 H20 F6 O8 Ru2 -","- C96 H40 F12 O16 Ru4 -","2","1","","Petrukhina, Marina A.; Sevryugina, Yulia; Rogachev, Andrey Yu.; Jackson, Edward A.; Scott, Lawrence T.","Corannulene: A Preference forexo-Metal Binding. X-ray Structural Characterization of [Ru2(O2CCF3)2(CO)4·(η2-C20H10)2]","Organometallics","2006","25","22","5492","","10.1021/om060350f","","","0.71073","MoKα","","0.0378","0.0322","","","0.0792","0.0822","","","","","","1.006","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075538","12.6336","0.0009","13.1083","0.0009","30.389","0.002","80.198","0.001","83.597","0.001","75.799","0.001","4794.7","0.6","200","2","200","2","","","","","","","","8","P -1","-P 1","2","","","","- C105 H89 F6 N O9 P4 Pd2 S2 -","- C105 H89 F6 N O9 P4 Pd2 S2 -","- C210 H178 F12 N2 O18 P8 Pd4 S4 -","2","1","","Nama, Devendrababu; Schott, Daniele; Pregosin, Paul S.; Veiros, L. F.; Calhorda, M. J.","Diffusion and Overhauser NMR Studies on Dicationic Palladium Complexes of BINAP","Organometallics","2006","25","19","4596","","10.1021/om0603518","","","0.71073","MoKα","","0.1065","0.0763","","","0.2088","0.2294","","","","","","1.045","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4075539","10.976","0.004","16.162","0.004","19.627","0.004","71.845","0.008","89.785","0.008","77.397","0.008","3220.9","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 F12 O2 P2 Sn -","- C24 H40 F12 O2 P2 Sn -","- C96 H160 F48 O8 P8 Sn4 -","4","2","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†","Organometallics","2006","25","17","4170","","10.1021/om060355c","","","0.71073","MoKα","","0.0649","0.0522","","","0.1425","0.151","","","","","","1.051","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075540","29.6783","0.0015","11.4441","0.0006","20.1419","0.001","90","","95.619","0.001","90","","6808.2","0.6","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H40 F12 O2 P2 S2 Sn -","- C24 H40 F12 O2 P2 S2 Sn -","- C192 H320 F96 O16 P16 S16 Sn8 -","8","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†","Organometallics","2006","25","17","4170","","10.1021/om060355c","","","0.71073","MoKα","","0.0506","0.0338","","","0.0733","0.0802","","","","","","1.049","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075541","18.8933","0.0007","15.6929","0.0016","10.9181","0.0017","90","","104.105","0.004","90","","3139.5","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H21 F6 O2 P -","- C12 H21 F6 O2 P -","- C96 H168 F48 O16 P8 -","8","2","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†","Organometallics","2006","25","17","4170","","10.1021/om060355c","","","0.7107","MoKα","","0.0918","0.0576","","","0.1383","0.1499","","","","","","1.076","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075542","21.039","0.003","9.5275","0.0016","17.94","0.003","90","","92.505","0.002","90","","3592.6","1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27.5 H40 F12 O4 P2 Sn -","- C27.52 H40 F12 O4 P2 Sn -","- C110.08 H160 F48 O16 P8 Sn4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†","Organometallics","2006","25","17","4170","","10.1021/om060355c","","","0.71073","MoKα","","0.0495","0.0348","","","0.0828","0.0919","","","","","","0.948","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075543","10.4018","0.0018","11.635","0.002","17.737","0.003","81.55","0.002","77.711","0.002","81.393","0.002","2059","0.6","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C34 H55 F12 N3 O2 P2 Sn -","- C34 H55 F12 N3 O2 P2 Sn -","- C68 H110 F24 N6 O4 P4 Sn2 -","2","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†","Organometallics","2006","25","17","4170","","10.1021/om060355c","","","0.71069","MoKα","","0.1015","0.0572","","","0.1226","0.1439","","","","","","0.985","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075544","10.7537","0.001","16.0182","0.0015","19.8424","0.0018","71.33","0.001","89.796","0.002","80.542","0.002","3189.7","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H40 F12 Ge O2 P2 -","- C24 H40 F12 Ge O2 P2 -","- C96 H160 F48 Ge4 O8 P8 -","4","2","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†","Organometallics","2006","25","17","4170","","10.1021/om060355c","","","0.71073","MoKα","","0.0904","0.0601","","","0.1652","0.1794","","","","","","1.016","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075545","14.454","0.002","9.541","0.0017","20.829","0.004","90","","107.053","0.004","90","","2746.1","0.8","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H31 F12 Ge N O2 P2 -","- C20 H31 F12 Ge N O2 P2 -","- C80 H124 F48 Ge4 N4 O8 P8 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†","Organometallics","2006","25","17","4170","","10.1021/om060355c","","","0.71073","MoKα","","0.1225","0.0575","","","0.1191","0.1468","","","","","","0.963","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075546","25.888","0.005","9.7436","0.0019","21.499","0.004","90","0.03","108.26","0.03","90","0.03","5149.9","1.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24.5 H41 F6 Ge N O1.5 P -","- C24.5 H35 F6 Ge N O1.5 P -","- C196 H280 F48 Ge8 N8 O12 P8 -","8","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†","Organometallics","2006","25","17","4170","","10.1021/om060355c","","","0.71073","MoKα","","0.0995","0.0536","","","0.1184","0.1326","","","","","","0.898","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075547","8.5623","0.0013","16.439","0.003","16.93","0.003","90","","98.101","0.002","90","","2359.2","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H36 F6 N O P -","- C22 H36 F6 N O P -","- C88 H144 F24 N4 O4 P4 -","4","1","","Ionkin, Alex S.; Marshall, William J.; Fish, Brian M.","Divalent Germanium and Tin Compounds Stabilized by Sterically Bulky P∧O, PO∧O, PS∧O, and PN∧O Ligands: Synthesis and First Insights into Catalytic Application to Polyurethane Systems†","Organometallics","2006","25","17","4170","","10.1021/om060355c","","","0.71073","MoKα","","0.0669","0.0467","","","0.116","0.129","","","","","","1.039","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075548","8.147","0.005","10.658","0.005","13.759","0.005","77.278","0.005","76.152","0.005","70.892","0.005","1082.9","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(2-Me)C6H4CH2Co(dmgH)2Py","trans-bis(dimethylglyoximato)-ortho-methyl-benzyl-(pyridine)-cobalt(III)","","- C21 H28 Co N5 O4 -","- C21 H28 Co N5 O4 -","- C42 H56 Co2 N10 O8 -","2","1","","Mandal, Debaprasad; Gupta, B. D.","Hindered Rotation Leading to Nonequivalence in Cobaloximes","Organometallics","2006","25","14","3305","","10.1021/om060357x","","","0.71073","MoKα","","0.1033","0.0547","","","0.1224","0.1361","","","","","","0.933","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075549","10.0739","0.0014","11.3738","0.0016","12.1513","0.0017","110.607","0.002","100.011","0.002","109.289","0.002","1161.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","2-napthyl-Co(dmgH)2Py","2-Napthyl-bis(dimethylglyoximeto)(pyridine)cobalt(III)","","- C24 H28 Co N5 O4 -","- C24 H28 Co N5 O4 -","- C48 H56 Co2 N10 O8 -","2","1","","Mandal, Debaprasad; Gupta, B. D.","Hindered Rotation Leading to Nonequivalence in Cobaloximes","Organometallics","2006","25","14","3305","","10.1021/om060357x","","","0.71073","MoKα","","0.1147","0.0897","","","0.2085","0.2241","","","","","","1.04","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075550","12.499","0.0011","13.1051","0.0011","19.24","0.002","98.997","0.001","99.35","0.001","116.194","0.001","2696.1","0.4","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H20 Ag2 F36 N6 -","- C46 H20 Ag2 F36 N6 -","- C92 H40 Ag4 F72 N12 -","2","1","","Chiong, Hendrich A.; Daugulis, Olafs","Monomeric Silver(I) β-Diketiminate Complexes","Organometallics","2006","25","17","4054","","10.1021/om0603621","","","0.71073","MoKα","","0.061","0.0531","","","0.1306","0.1388","","","","","","1.003","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075551","22.3715","0.0013","10.3286","0.0006","25.7565","0.0015","90","","91.367","0.001","90","","5949.8","0.6","223","2","223","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C26 H14 Ag F18 N2 -","- C26 H14 Ag F18 N2 -","- C208 H112 Ag8 F144 N16 -","8","2","","Chiong, Hendrich A.; Daugulis, Olafs","Monomeric Silver(I) β-Diketiminate Complexes","Organometallics","2006","25","17","4054","","10.1021/om0603621","","","0.71073","MoKα","","0.0858","0.0623","","","0.1416","0.1666","","","","","","1.147","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075552","11.9423","0.0009","13.0201","0.001","14.6125","0.0011","85.74","0.001","75.357","0.001","63.587","0.001","1966.9","0.3","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H22 Ag F18 N2 P -","- C39 H22 Ag F18 N2 P -","- C78 H44 Ag2 F36 N4 P2 -","2","1","","Chiong, Hendrich A.; Daugulis, Olafs","Monomeric Silver(I) β-Diketiminate Complexes","Organometallics","2006","25","17","4054","","10.1021/om0603621","","","0.71073","MoKα","","0.0592","0.0534","","","0.134","0.14","","","","","","1.011","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075553","10.5729","0.0013","13.5428","0.0017","17.4597","0.0021","103.561","0.002","92.768","0.002","109.991","0.002","2261.2","0.5","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C47 H59 Ag Cl2 N4 -","- C47 H59 Ag Cl2 N4 -","- C94 H118 Ag2 Cl4 N8 -","2","1","","Chiong, Hendrich A.; Daugulis, Olafs","Monomeric Silver(I) β-Diketiminate Complexes","Organometallics","2006","25","17","4054","","10.1021/om0603621","","","0.71073","MoKα","","0.0736","0.045","","","0.1199","0.1388","","","","","","1.084","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075554","11.086","0.0002","17.6453","0.0004","12.0116","0.0003","90","","111.831","0.0013","90","","2181.15","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","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H36 Sn -","- C25 H36 Sn -","- C100 H144 Sn4 -","4","1","","Moss, James; Thomas, Jemima; Ashley, Andrew; Cowley, Andrew R.; O'Hare, Dermot","Bulk Synthesis of Octa- and Nonamethylfluorene (Flu‘ ‘H and Flu*H) and the Characterization of the Organometallic Derivatives Flu*SnMe3, [(FeCp)2Flu*H][PF6]2, and [(FeCp)2Flu‘ ‘H][PF6]2","Organometallics","2006","25","18","4279","","10.1021/om0603666","","","0.71073","MoKα","","0.0482","0.031","","0.053","0.034","0.034","","","","","","1.1174","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075555","13.3125","0.0003","17.3087","0.0005","6.7634","0.0002","90","","98.294","0.0012","90","","1542.14","0.07","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/m 1","-C 2y","12","","","","- C31 H36 F12 Fe2 P2 -","- C31 H36 F12 Fe2 P2 -","- C62 H72 F24 Fe4 P4 -","2","0.25","","Moss, James; Thomas, Jemima; Ashley, Andrew; Cowley, Andrew R.; O'Hare, Dermot","Bulk Synthesis of Octa- and Nonamethylfluorene (Flu‘ ‘H and Flu*H) and the Characterization of the Organometallic Derivatives Flu*SnMe3, [(FeCp)2Flu*H][PF6]2, and [(FeCp)2Flu‘ ‘H][PF6]2","Organometallics","2006","25","18","4279","","10.1021/om0603666","","","0.71073","MoKα","","0.0592","0.0485","","0.0648","0.0585","0.0585","","","","","","1.0821","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075556","10.2301","0.0004","19.895","0.0007","17.3484","0.0006","90","","94.168","0.001","90","","3521.5","0.2","147","2","147","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","MeLZn2(OC(=CMe2)iPr)2 (2a)","","","- C34 H52 N4 O3 Zn2 -","- C34 H52 N4 O3 Zn2 -","- C136 H208 N16 O12 Zn8 -","4","1","","Hlavinka, Mark L.; Hagadorn, John R.","Structures of Zinc Ketone Enolates","Organometallics","2006","25","14","3501","","10.1021/om060367y","","","0.71073","MoKα","","0.0932","0.0515","","","0.1082","0.1238","","","","","","1.005","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075557","18.6748","0.0005","13.3529","0.0004","16.9723","0.0004","90","","90","","90","","4232.3","0.2","147","2","147","2","","","","","","","","5","P n a 21","P 2c -2n","33","iPrLZn2(OC(=CMe2)iPr)2 (2b)","","","- C42 H68 N4 O3 Zn2 -","- C42 H68 N4 O3 Zn2 -","- C168 H272 N16 O12 Zn8 -","4","1","","Hlavinka, Mark L.; Hagadorn, John R.","Structures of Zinc Ketone Enolates","Organometallics","2006","25","14","3501","","10.1021/om060367y","","","0.71073","MoKα","","0.0837","0.0527","","","0.107","0.1187","","","","","","1.007","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075558","32.9488","0.0012","19.2436","0.0007","19.7699","0.0007","90","","121.501","0.001","90","","10687.9","0.7","145","2","145","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","iPrLZn2(OC(=CH2)C6Me5)2 (4b)","","","- C57.5 H80 N4 O3 Zn2 -","- C57.5 H80 N4 O3 Zn2 -","- C460 H640 N32 O24 Zn16 -","8","1","","Hlavinka, Mark L.; Hagadorn, John R.","Structures of Zinc Ketone Enolates","Organometallics","2006","25","14","3501","","10.1021/om060367y","","","0.71073","MoKα","","0.0874","0.0564","","","0.1438","0.1619","","","","","","1.03","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075559","12.7806","0.0001","14.2076","0.0001","17.5955","0.0001","90","","108.038","0.0003","90","","3037.98","0.04","173","1","173","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H43 Cl O2 Si Ti -","- C31 H43 Cl O2 Si Ti -","- C124 H172 Cl4 O8 Si4 Ti4 -","4","1","","González-Maupoey, Marta; Cuenca, Tomás; Herdtweck, Eberhardt","Monocyclopentadienyl Chloro Bisphenoxo Ti(η5-C5H4SiMe2Cl)(η2-MBMP)Cl Derivative: Ti−Cl, Ti−O, and Si−Cl Reactivity. Crystal Structure of Ti(η5-C5H4SiMe3)(η2-MBMP)Cl and Ti(η5-C5H4SiMe2-η1-MBMP)(CH2Ph)2","Organometallics","2006","25","18","4358","","10.1021/om060368q","","","0.71073","MoKα","","0.0388","0.0306","","","0.0739","0.0773","","","","","","1.035","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075560","16.2785","0.0002","16.9519","0.0002","27.6714","0.0005","90","","90","","90","","7635.96","0.19","173","1","173","1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C44 H54 O2 Si Ti -","- C44 H54 O2 Si Ti -","- C352 H432 O16 Si8 Ti8 -","8","1","","González-Maupoey, Marta; Cuenca, Tomás; Herdtweck, Eberhardt","Monocyclopentadienyl Chloro Bisphenoxo Ti(η5-C5H4SiMe2Cl)(η2-MBMP)Cl Derivative: Ti−Cl, Ti−O, and Si−Cl Reactivity. Crystal Structure of Ti(η5-C5H4SiMe3)(η2-MBMP)Cl and Ti(η5-C5H4SiMe2-η1-MBMP)(CH2Ph)2","Organometallics","2006","25","18","4358","","10.1021/om060368q","","","0.71073","MoKα","","0.0783","0.061","","","0.1089","0.1146","","","","","","1.204","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075561","9.581","0.002","9.2854","0.0014","12.74","0.003","90","","91.947","0.019","90","","1132.7","0.4","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 N O Zn -","- C11 H15 N O Zn -","- C44 H60 N4 O4 Zn4 -","4","1","","Meyer, Nils; Löhnwitz, Karolin; Zulys, Agustino; Roesky, Peter W.; Dochnahl, Maximilian; Blechert, Siegfried","Aminotroponate Zinc Complexes as Catalysts for the Intramolecular Hydroamination of Alkenes and Alkynes","Organometallics","2006","25","15","3730","","10.1021/om060369i","","","0.71073","MoKα","","0.0453","0.0353","","","0.0563","0.0567","","","","","","2.515","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075562","8.2534","0.001","8.7691","0.0011","9.6387","0.0013","77.741","0.01","87.096","0.011","61.936","0.009","600.56","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H17 N O Zn -","- C12 H17 N O Zn -","- C24 H34 N2 O2 Zn2 -","2","1","","Meyer, Nils; Löhnwitz, Karolin; Zulys, Agustino; Roesky, Peter W.; Dochnahl, Maximilian; Blechert, Siegfried","Aminotroponate Zinc Complexes as Catalysts for the Intramolecular Hydroamination of Alkenes and Alkynes","Organometallics","2006","25","15","3730","","10.1021/om060369i","","","0.71073","MoKα","","0.0321","0.0257","","","0.0598","0.0619","","","","","","1.028","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075563","10.3289","0.0006","13.7759","0.0008","22.9406","0.0013","90","","102.81","0.001","90","","3183","0.3","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 O4 P2 W -","- C37 H30 O4 P2 W -","- C148 H120 O16 P8 W4 -","4","1","","Shiue, Tsun-Wei; Yeh, Wen-Yann; Lee, Gene-Hsiang; Peng, Shie-Ming","Synthesis of Ph2PC⋮C(CH2)5C⋮CPPh2Ligand and Its Complexation with Tungsten Carbonyls to Form a Dinuclear Paddle-Wheel and a Tetranuclear Tripodal Compound","Organometallics","2006","25","17","4150","","10.1021/om0603722","","","0.71073","MoKα","","0.0239","0.0224","","","0.05","0.0506","","","","","","1.117","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075564","21.1762","0.0006","22.3612","0.0006","41.0111","0.001","90","","90.3001","0.0008","90","","19419.5","0.9","150","1","150","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C109.5 H101 Cl O7 P6 W2 -","- C109.5 H101 Cl O7 P6 W2 -","- C876 H808 Cl8 O56 P48 W16 -","8","2","","Shiue, Tsun-Wei; Yeh, Wen-Yann; Lee, Gene-Hsiang; Peng, Shie-Ming","Synthesis of Ph2PC⋮C(CH2)5C⋮CPPh2Ligand and Its Complexation with Tungsten Carbonyls to Form a Dinuclear Paddle-Wheel and a Tetranuclear Tripodal Compound","Organometallics","2006","25","17","4150","","10.1021/om0603722","","","0.71073","MoKα","","0.0779","0.0478","","","0.1125","0.1272","","","","","","1.02","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075565","12.1825","0.0004","12.2335","0.0004","18.1904","0.0007","95.15","0.001","94.223","0.001","92.027","0.001","2690.32","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C49 H59 N O9 Re2 Sn2 -","- C49 H59 N O9 Re2 Sn2 -","- C98 H118 N2 O18 Re4 Sn4 -","2","1","","Adams, Richard D.; Captain, Burjor; Hollandsworth, Carl B.; Johansson, Mikael; Smith, Jack L.","Synthesis and Structures of Oxo-Bridged Distannyl- and Digermyldirhenium Complexes","Organometallics","2006","25","16","3848","","10.1021/om060375e","","","0.71073","MoKα","","0.0402","0.0312","","","0.0682","0.072","","","","","","1.011","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075566","10.9276","0.0005","17.1569","0.0008","17.9091","0.0008","91.498","0.001","90.181","0.001","90.273","0.001","3356.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H23 Ge2 O9.5 Re2 -","- C32 H23 Ge2 O9.5 Re2 -","- C128 H92 Ge8 O38 Re8 -","4","2","","Adams, Richard D.; Captain, Burjor; Hollandsworth, Carl B.; Johansson, Mikael; Smith, Jack L.","Synthesis and Structures of Oxo-Bridged Distannyl- and Digermyldirhenium Complexes","Organometallics","2006","25","16","3848","","10.1021/om060375e","","","0.71073","MoKα","","0.0253","0.0212","","","0.0498","0.0519","","","","","","1.046","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075567","12.657","0.003","18.902","0.005","22.352","0.006","76.171","0.005","88.051","0.005","89.004","0.005","5189","2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H57 Ge2 N O9 Re2 -","- C48 H57 Ge2 N O9 Re2 -","- C192 H228 Ge8 N4 O36 Re8 -","4","2","","Adams, Richard D.; Captain, Burjor; Hollandsworth, Carl B.; Johansson, Mikael; Smith, Jack L.","Synthesis and Structures of Oxo-Bridged Distannyl- and Digermyldirhenium Complexes","Organometallics","2006","25","16","3848","","10.1021/om060375e","","","0.71073","MoKα","","0.0499","0.0343","","","0.0852","0.0946","","","","","","1.022","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075568","8.1062","0.0012","12.5379","0.0018","23.605","0.003","90","","90","","90","","2399.1","0.6","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Pentamethylcyclopentadienyldicarbonyldichloroboryliron 4-methylpyridine adduct","","","- C24 H28 B Cl2 Fe N O2 -","- C24 H27 B Cl2 Fe N O2 -","- C96 H108 B4 Cl8 Fe4 N4 O8 -","4","0.5","","Braunschweig, Holger; Radacki, Krzysztof; Seeler, Fabian; Whittell, George R.","Synthesis and Reactivity of Dihaloboryl Complexes","Organometallics","2006","25","19","4605","","10.1021/om060377z","","","0.71073","MoKα","","0.0426","0.0381","","","0.0954","0.0991","","","","","","1.057","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075569","8.1006","0.0004","12.6176","0.0007","23.7893","0.0013","90","","90","","90","","2431.5","0.2","193","2","193","2","","","","","","","","7","P n m a","-P 2ac 2n","62","Pentamethylcyclopentadienyldicarbonyldibromoboryliron 4-methylpyridine adduct","","","- C24 H28 B Br2 Fe N O2 -","- C24 H30 B Br2 Fe N O2 -","- C96 H120 B4 Br8 Fe4 N4 O8 -","4","0.5","","Braunschweig, Holger; Radacki, Krzysztof; Seeler, Fabian; Whittell, George R.","Synthesis and Reactivity of Dihaloboryl Complexes","Organometallics","2006","25","19","4605","","10.1021/om060377z","","","0.71073","MoKα","","0.0566","0.0497","","","0.1016","0.1042","","","","","","1.236","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075570","9.5242","0.0003","11.6613","0.0004","14.0952","0.0004","92.027","0.002","94.8","0.002","99.939","0.002","1534.59","0.08","100","2","100","2","","","","","","","","7","P -1","-P 1","2","Bromodi-4-methylpyridine (cyclopentadienyldicarbonyl)boroniumbromide","","","- C31 H37 B Br2 Fe N2 O2 -","- C31 H37 B Br2 Fe N2 O2 -","- C62 H74 B2 Br4 Fe2 N4 O4 -","2","1","","Braunschweig, Holger; Radacki, Krzysztof; Seeler, Fabian; Whittell, George R.","Synthesis and Reactivity of Dihaloboryl Complexes","Organometallics","2006","25","19","4605","","10.1021/om060377z","","","0.71073","MoKα","","0.0516","0.0364","","","0.0924","0.099","","","","","","1.032","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075571","23.778","0.005","6.7756","0.0015","12.024","0.003","90","","90","","90","","1937.2","0.8","173","2","173","2","","","","","","","","5","F d d 2","F 2 -2d","43","Pentacarbonyldichloroborylmanganese","","","- C5 B Cl2 Mn O5 -","- C5 B Cl2 Mn O5 -","- C40 B8 Cl16 Mn8 O40 -","8","0.5","","Braunschweig, Holger; Radacki, Krzysztof; Seeler, Fabian; Whittell, George R.","Synthesis and Reactivity of Dihaloboryl Complexes","Organometallics","2006","25","19","4605","","10.1021/om060377z","","","0.71073","MoKα","","0.0267","0.0263","","","0.0645","0.0646","","","","","","1.249","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075572","25.022","0.003","6.3286","0.0008","13.1563","0.0016","90","","120.051","0.002","90","","1803.3","0.4","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Bis[Bromo(pentacarbonylmanganese)boryl]oxide","","","- C10 B2 Br2 Mn2 O11 -","- C10 B2 Br2 Mn2 O11 -","- C40 B8 Br8 Mn8 O44 -","4","0.5","","Braunschweig, Holger; Radacki, Krzysztof; Seeler, Fabian; Whittell, George R.","Synthesis and Reactivity of Dihaloboryl Complexes","Organometallics","2006","25","19","4605","","10.1021/om060377z","","","0.71073","MoKα","","0.0199","0.0187","","","0.0497","0.0503","","","","","","1.063","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075573","10.992","0.005","11.339","0.005","13.26","0.006","107.244","0.004","96.233","0.005","115.175","0.005","1374.8","1.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H39 B9 Ir2 O S2 -","- C21 H39 B9 Ir2 O S2 -","- C42 H78 B18 Ir4 O2 S4 -","2","1","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.0506","0.0396","","","0.0994","0.1051","","","","","","1","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075574","12.388","0.008","17.128","0.01","19.889","0.012","90","","91.302","0.01","90","","4219","4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H51 B9 Ir2 O Se2 -","- C33 H51 B9 Ir2 O Se2 -","- C132 H204 B36 Ir8 O4 Se8 -","4","1","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.1293","0.0555","","","0.127","0.1555","","","","","","0.961","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075575","17.969","0.005","12.7","0.004","12.078","0.003","90","","90","","90","","2756.3","1.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C20 H36 B10 Ir2 S2 -","- C20 H36 B10 Ir2 S2 -","- C80 H144 B40 Ir8 S8 -","4","0.5","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.0291","0.0241","","","0.0646","0.0675","","","","","","1.079","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075576","12.803","0.003","12.046","0.003","18.726","0.005","90","","96.323","0.004","90","","2870.4","1.2","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C21 H39 B9 Ir O Rh S2 -","- C21 H39 B9 Ir O Rh S2 -","- C84 H156 B36 Ir4 O4 Rh4 S8 -","4","1","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.0574","0.0375","","","0.0785","0.085","","","","","","1.022","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075577","10.542","0.003","14.967","0.004","17.522","0.005","90","","93.321","0.005","90","","2760","1.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H36.5 B9.5 Ir Rh S2 -","- C20 H36.5 B9.5 Ir Rh S2 -","- C80 H146 B38 Ir4 Rh4 S8 -","4","1","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.0879","0.0473","","","0.0899","0.1024","","","","","","1.01","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075578","21.235","0.006","11.528","0.003","24.514","0.007","90","","90","","90","","6001","3","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C20 H38 B9 Cl3 Ir2 O S2 -","- C20 H38 B9 Cl3 Ir2 O S2 -","- C160 H304 B72 Cl24 Ir16 O8 S16 -","8","1","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.0653","0.0369","","","0.0732","0.0838","","","","","","1.012","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075579","11.587","0.003","12.647","0.003","12.776","0.003","86.511","0.004","74.525","0.004","68.482","0.004","1677.1","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H48 B9 Ir3 O Se2 -","- C27 H48 B9 Ir3 O Se2 -","- C54 H96 B18 Ir6 O2 Se4 -","2","1","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.0941","0.0609","","","0.0986","0.1109","","","","","","1.074","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075580","18.289","0.008","12.197","0.005","12.852","0.006","90","","107.713","0.006","90","","2731","2","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C20 H38 B10 Ir2 O2 Se2 -","- C20 H38 B10 Ir2 O2 Se2 -","- C80 H152 B40 Ir8 O8 Se8 -","4","1","","Wang, Jian-Qiang; Herberhold, Max; Jin, Guo-Xin","Formation of Cup-Shaped Metallic Clusters via B−H Activation at the B(3)/B(6) Site of anortho-Carborane-1,2-dichalcogenolato Ligand","Organometallics","2006","25","14","3508","","10.1021/om060381a","","","0.71073","MoKα","","0.0673","0.0513","","","0.1321","0.1388","","","","","","1.149","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075581","15.8718","0.0015","14.3618","0.0009","16.2998","0.0016","90","","95.892","0.009","90","","3695.9","0.6","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H43 Mo2 N3 O S2 -","- C39 H43 Mo2 N3 O S2 -","- C156 H172 Mo8 N12 O4 S8 -","4","1","","Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.","Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes","Organometallics","2006","25","16","4009","","10.1021/om060383v","","","0.71073","MoKα","","0.0897","0.0807","","","0.2125","0.2261","","","","","","1.089","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075582","9.9768","0.0009","13.286","0.0016","13.9137","0.0018","77.796","0.011","86.048","0.009","68.941","0.01","1682.2","0.4","170","2","170","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H43 Mo2 N3 O S2 -","- C35 H43 Mo2 N3 O S2 -","- C70 H86 Mo4 N6 O2 S4 -","2","1","","Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.","Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes","Organometallics","2006","25","16","4009","","10.1021/om060383v","","","0.71073","MoKα","","0.0894","0.0482","","","0.0875","0.1008","","","","","","0.956","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075583","16.2946","0.0008","13.4907","0.0006","16.0487","0.0007","90","","90","","90","","3527.9","0.3","300","2","300","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C35 H43 Mo2 N3 O S2 -","- C35 H43 Mo2 N3 O S2 -","- C140 H172 Mo8 N12 O4 S8 -","4","1","","Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.","Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes","Organometallics","2006","25","16","4009","","10.1021/om060383v","","","0.71073","MoKα","","0.0626","0.0427","","","0.0917","0.0988","","","","","","0.952","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075584","8.36","0.0001","16.956","0.0002","26.1569","0.0004","90","","94.3","0.001","90","","3697.36","0.08","120","","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H45 Mo2 N3 O1.143 S2 -","- C40 H45 Mo2 N3 O1.143 S2 -","- C160 H180 Mo8 N12 O4.572 S8 -","4","1","","Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.","Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes","Organometallics","2006","25","16","4009","","10.1021/om060383v","","","0.71073","MoKα","","0.0799","0.0469","","","0.1023","0.1179","","","","","","1.028","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075585","12.9957","0.001","18.5383","0.0014","16.2894","0.0015","90","0.007","95.627","0.007","90","0.006","3905.5","0.6","170","2","170","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C41 H47 Mo2 N3 O S2 -","- C41 H47 Mo2 N3 O S2 -","- C164 H188 Mo8 N12 O4 S8 -","4","1","","Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.","Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes","Organometallics","2006","25","16","4009","","10.1021/om060383v","","","0.71073","MoKα","","0.1061","0.065","","","0.1076","0.1218","","","","","","1.107","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075586","15.6163","0.0003","8.9018","0.0002","16.8896","0.0004","90","","93.291","0.001","90","","2344","0.09","120","2","120","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C22 H29 Mo2 N O S3 -","- C22 H29 Mo2 N O S3 -","- C88 H116 Mo8 N4 O4 S12 -","4","1","","Ojo, Wilfried-Solo; Paugam, Eddy; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean; Muir, Kenneth W.","Formation of C−C, C−N, and C−O Links between Isonitrile, Cyclopentadienyl, and Hydroxide Ligands Bound to Molybdenum(III): Syntheses and Crystal Structures of μ-Aminocarbyne and μ-Amino-oxycarbene Dimolybdenum Complexes","Organometallics","2006","25","16","4009","","10.1021/om060383v","","","0.71073","MoKα","","0.0879","0.0501","","","0.1121","0.1354","","","","","","1.081","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075587","13.481","0.002","17.536","0.003","23.734","0.004","90","","90","","90","","5610.8","1.6","123","2","123","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H45 I N2 Si4 Sn -","- C17 H45 I N2 Si4 Sn -","- C136 H360 I8 N16 Si32 Sn8 -","8","1","","Bartolin, Jeffrey M.; Kavara, Ajdin; Kampf, Jeff; Banaszak Holl, Mark M.","Tin-Mediated CH Activation and Cross-Coupling in a Single Flask","Organometallics","2006","25","20","4738","","10.1021/om060388s","","","0.71073","MoKα","","0.0243","0.0202","","","0.0475","0.0493","","","","","","1.104","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075588","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","","Althaus, Martin; Bonaccorsi, Cristina; Mezzetti, Antonio; Santoro, Francesco","Chiral Ruthenium PNNP Complexes of Non-Enolized 1,3-Dicarbonyl Compounds: Acidity and Involvement in Asymmetric Michael Addition","Organometallics","2006","25","13","3108","","10.1021/om060389k","","x-ray","0.71073","MoKα","","0.0573","0.0497","","","0.1364","0.1418","","","","","","1.041","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075589","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","","Althaus, Martin; Bonaccorsi, Cristina; Mezzetti, Antonio; Santoro, Francesco","Chiral Ruthenium PNNP Complexes of Non-Enolized 1,3-Dicarbonyl Compounds: Acidity and Involvement in Asymmetric Michael Addition","Organometallics","2006","25","13","3108","","10.1021/om060389k","","x-ray","0.71073","MoKα","","0.0848","0.062","","","0.1739","0.1924","","","","","","1.058","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075590","8.8372","0.0008","9.1967","0.0008","16.62","0.002","75.253","0.004","79.602","0.004","88.771","0.004","1284.4","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","Complex 6a","","","- C29 H35 N O W -","- C29 H35 N O W -","- C58 H70 N2 O2 W2 -","2","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Legzdins, Peter; Patrick, Brian O.","Ortho-Selective C−H Activation of Substituted Benzenes Effected by a Tungsten Alkylidene Complex without Substituent Coordination","Organometallics","2006","25","17","4215","","10.1021/om060390j","","","0.71073","MoKα","","0.0286","0.0245","","","0.0622","0.0686","","","","","","1.212","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075591","10.792","0.001","16.44","0.001","14.468","0.001","90","","91.629","0.003","90","","2565.9","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Complex 7","","","- C27 H45 N O W -","- C27 H45 N O W -","- C108 H180 N4 O4 W4 -","4","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Legzdins, Peter; Patrick, Brian O.","Ortho-Selective C−H Activation of Substituted Benzenes Effected by a Tungsten Alkylidene Complex without Substituent Coordination","Organometallics","2006","25","17","4215","","10.1021/om060390j","","","0.71073","MoKα","","0.0369","0.0328","","","0.0783","0.0809","","","","","","1.123","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075592","10.6196","0.0011","18.1403","0.0013","11.2112","0.001","90","","97.101","0.003","90","","2143.2","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Complex 5a","","","- C22 H33 N O2 W -","- C22 H33 N O2 W -","- C88 H132 N4 O8 W4 -","4","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Legzdins, Peter; Patrick, Brian O.","Ortho-Selective C−H Activation of Substituted Benzenes Effected by a Tungsten Alkylidene Complex without Substituent Coordination","Organometallics","2006","25","17","4215","","10.1021/om060390j","","","0.71073","MoKα","","0.0369","0.0356","","","0.0907","0.0925","","","","","","1.096","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075593","8.2185","0.0009","9.2843","0.0009","14.5576","0.0015","74.26","0.004","89.287","0.004","77.311","0.004","1041.71","0.19","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Complex 2a","","","- C21 H30 F N O W -","- C21 H30 F0.982 N O W -","- C42 H60 F1.964 N2 O2 W2 -","2","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Legzdins, Peter; Patrick, Brian O.","Ortho-Selective C−H Activation of Substituted Benzenes Effected by a Tungsten Alkylidene Complex without Substituent Coordination","Organometallics","2006","25","17","4215","","10.1021/om060390j","","","0.71073","MoKα","","0.0244","0.0221","","","0.0569","0.0586","","","","","","1.092","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075594","8.0777","0.0006","9.4908","0.0008","14.7275","0.0013","72.039","0.003","89.092","0.002","77.726","0.002","1047.99","0.15","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Complex 10c","","","- C21 H29 F2 N O W -","- C21 H29 F2 N O W -","- C42 H58 F4 N2 O2 W2 -","2","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Legzdins, Peter; Patrick, Brian O.","Ortho-Selective C−H Activation of Substituted Benzenes Effected by a Tungsten Alkylidene Complex without Substituent Coordination","Organometallics","2006","25","17","4215","","10.1021/om060390j","","","0.71073","MoKα","","0.0143","0.0126","","","0.0305","0.031","","","","","","1.052","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075595","11.8892","0.0015","15.8619","0.0018","12.0429","0.0014","90","","108.061","0.005","90","","2159.2","0.4","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Complex 16","","","- C22 H30 F N O2 W -","- C22 H30 F N O2 W -","- C88 H120 F4 N4 O8 W4 -","4","1","","Tsang, Jenkins Y. K.; Buschhaus, Miriam S. A.; Legzdins, Peter; Patrick, Brian O.","Ortho-Selective C−H Activation of Substituted Benzenes Effected by a Tungsten Alkylidene Complex without Substituent Coordination","Organometallics","2006","25","17","4215","","10.1021/om060390j","","","0.71073","MoKα","","0.0553","0.0308","","","0.0606","0.067","","","","","","1.031","","","","has coordinates,has disorder","178644","2020-10-21","18:00:00",""
"4075596","14.0065","0.0003","14.0128","0.0003","26.8447","0.0006","85.955","0.001","78.652","0.001","66.771","0.001","4746.9","0.18","165","2","165","2","","","","","","","","6","P -1","-P 1","2","","","","- C113.5 H95 O3 P3 Pt3 Si3 -","- C113.5 H91 O3 P3 Pt3 Si3 -","- C227 H182 O6 P6 Pt6 Si6 -","2","1","","Braddock-Wilking, Janet; Corey, Joyce Y.; French, Lisa M.; Choi, Eunwoo; Speedie, Victoria J.; Rutherford, Michael F.; Yao, Shu; Xu, Huan; Rath, Nigam P.","Si−H Bond Activation by (Ph3P)2Pt(η2-C2H4) in Dihydrosilicon Tricycles that Also Contain O and N Heteroatoms","Organometallics","2006","25","16","3974","","10.1021/om060391b","","","0.71073","MoKα","","0.1735","0.057","","","0.0894","0.1238","","","","","","0.957","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075597","21.9536","0.0003","18.1694","0.0003","24.4386","0.0003","90","","116.137","0.001","90","","8751.3","0.2","150","2","150","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C101 H89 Br4 N2 P3 Pt2 Si2 -","- C101 H89 Br4 N2 P3 Pt2 Si2 -","- C404 H356 Br16 N8 P12 Pt8 Si8 -","4","1","","Braddock-Wilking, Janet; Corey, Joyce Y.; French, Lisa M.; Choi, Eunwoo; Speedie, Victoria J.; Rutherford, Michael F.; Yao, Shu; Xu, Huan; Rath, Nigam P.","Si−H Bond Activation by (Ph3P)2Pt(η2-C2H4) in Dihydrosilicon Tricycles that Also Contain O and N Heteroatoms","Organometallics","2006","25","16","3974","","10.1021/om060391b","","","0.71073","MoKα","","0.0705","0.0374","","","0.0713","0.0844","","","","","","1.087","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075598","10.7502","0.0003","12.5014","0.0003","12.6776","0.0003","68.33","0.001","71.997","0.001","66.945","0.001","1429.7","0.06","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C69 H62 N2 P2 Pt2 Si2 -","- C69 H54 N2 P2 Pt2 Si2 -","- C69 H54 N2 P2 Pt2 Si2 -","1","0.5","","Braddock-Wilking, Janet; Corey, Joyce Y.; French, Lisa M.; Choi, Eunwoo; Speedie, Victoria J.; Rutherford, Michael F.; Yao, Shu; Xu, Huan; Rath, Nigam P.","Si−H Bond Activation by (Ph3P)2Pt(η2-C2H4) in Dihydrosilicon Tricycles that Also Contain O and N Heteroatoms","Organometallics","2006","25","16","3974","","10.1021/om060391b","","","0.71073","MoKα","","0.0871","0.0533","","","0.1068","0.1201","","","","","","1.054","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075599","8.5","0.003","13.382","0.006","16.361","0.009","90","","90","","90","","1861","1.5","200","2","200","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","Cp*RhCl2(PTA)","Bischloro-Pentamethylcyclodienyl-1,3,5-Triaza-7-phosphaadamantane- Rhodium(III)","","- C16 H27 Cl2 N3 P Rh -","- C16 H27 Cl2 N3 P Rh -","- C64 H108 Cl8 N12 P4 Rh4 -","4","1","","Dorcier, Antoine; Ang, Wee Han; Bolaño, Sandra; Gonsalvi, Luca; Juillerat-Jeannerat, Lucienne; Laurenczy, Gàbor; Peruzzini, Maurizio; Phillips, Andrew D.; Zanobini, Fabrizio; Dyson, Paul J.","In Vitro Evaluation of Rhodium and Osmium RAPTA Analogues: The Case for Organometallic Anticancer Drugs Not Based on Ruthenium","Organometallics","2006","25","17","4090","","10.1021/om060394o","","x-ray","0.71073","MoKα","","0.0223","0.019","","","0.0472","0.048","","","","","","1.047","","","","has coordinates","178644","2020-10-21","18:00:00",""
"4075600","11.985","0.001","30.388","0.002","13.002","0.0009","90","","107.8","0.007","90","","4508.6","0.6","90","2","90","2","","","","","","","synthesis as described","8","P 1 21/c 1","-P 2ybc","14","Cp*Rh(PTA)2Cl BPh4 MeOH","Chloro-Pentamethylcyclodienyl-Bis-1,3,5-Triaza-7-phosphaadamantane- Rhodium(III) Tetraphenylborate with methanol solvate","","- C46.7 H61.81 B Cl N6 O0.705 P2 Rh -","- C46.704 H61.816 B Cl N6 O0.704 P2 Rh -","- C186.816 H247.264 B4 Cl4 N24 O2.816 P8 Rh4 -","4","1","","Dorcier, Antoine; Ang, Wee Han; Bolaño, Sandra; Gonsalvi, Luca; Juillerat-Jeannerat, Lucienne; Laurenczy, Gàbor; Peruzzini, Maurizio; Phillips, Andrew D.; Zanobini, Fabrizio; Dyson, Paul J.","In Vitro Evaluation of Rhodium and Osmium RAPTA Analogues: The Case for Organometallic Anticancer Drugs Not Based on Ruthenium","Organometallics","2006","25","17","4090","","10.1021/om060394o","","","0.71073","MoKα","","0.046","0.0454","","","0.0967","0.0971","","","","","","1.164","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075601","9.1729","0.0018","12.325","0.003","13.028","0.003","78.66","0.03","83.11","0.03","70.94","0.03","1362.5","0.6","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","Cp*Rh(PTA)2Cl Cl 2HOH","Chloro-Pentamethylcyclodienyl-Bis-1,3,5-Triaza-7-phosphaadamantane- Rhodium(III) Chloride with Water Solvate","","- C22 H43 Cl2 N6 O2 P2 Rh -","- C22 H43 Cl2 N6 O2 P2 Rh -","- C44 H86 Cl4 N12 O4 P4 Rh2 -","2","1","","Dorcier, Antoine; Ang, Wee Han; Bolaño, Sandra; Gonsalvi, Luca; Juillerat-Jeannerat, Lucienne; Laurenczy, Gàbor; Peruzzini, Maurizio; Phillips, Andrew D.; Zanobini, Fabrizio; Dyson, Paul J.","In Vitro Evaluation of Rhodium and Osmium RAPTA Analogues: The Case for Organometallic Anticancer Drugs Not Based on Ruthenium","Organometallics","2006","25","17","4090","","10.1021/om060394o","","","0.71073","MoKα","","0.1525","0.0635","","","0.0967","0.1218","","","","","","0.982","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075602","10.7119","0.0014","14.3315","0.0019","29.82","0.004","90","","93.256","0.003","90","","4570.5","1","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44 H67 Cl O2 Os P2 Sn -","- C44 H59 Cl O2 Os P2 Sn -","- C176 H236 Cl4 O8 Os4 P8 Sn4 -","4","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat","Preparation, X-ray Structures, and NMR Spectra of Elongated Dihydrogen Complexes with Four- and Five-Coordinate Tin Centers","Organometallics","2006","25","19","4691","","10.1021/om060395g","","","0.71073","MoKα","","0.1151","0.0412","","","0.0807","0.1074","","","","","","0.789","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075603","11.6836","0.0005","15.6616","0.0007","21.8655","0.001","90","","90","","90","","4001","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C38 H59 Cl O4 Os P2 Sn -","- C38 H59 Cl O4 Os P2 Sn -","- C152 H236 Cl4 O16 Os4 P8 Sn4 -","4","1","","Eguillor, Beatriz; Esteruelas, Miguel A.; Oliván, Montserrat","Preparation, X-ray Structures, and NMR Spectra of Elongated Dihydrogen Complexes with Four- and Five-Coordinate Tin Centers","Organometallics","2006","25","19","4691","","10.1021/om060395g","","","0.71073","MoKα","","0.0399","0.0342","","","0.0512","0.0526","","","","","","0.909","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075604","20.9579","0.0014","9.4999","0.0006","22.4791","0.0016","90","","115.389","0.003","90","","4043.3","0.5","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 N4 O15 P Pt -","- C39 H39 N4 O15 P Pt -","- C156 H156 N16 O60 P4 Pt4 -","4","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.0375","0.0228","","","0.0494","0.0529","","","","","","0.992","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075605","12.2189","0.0008","13.1105","0.001","18.824","0.0014","88.649","0.004","76.049","0.004","63.967","0.004","2617.9","0.3","133","2","133","2","","","","","","","","7","P -1","-P 1","2","","","","- C54.5 H48.5 Cl1.5 N4 O14 P2 Pt -","- C54.5 H48.5 Cl1.5 N4 O14 P2 Pt -","- C109 H97 Cl3 N8 O28 P4 Pt2 -","2","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.0415","0.0298","","","0.0641","0.0686","","","","","","1.056","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4075606","9.3407","0.0008","34.741","0.003","8.6","0.0006","90","","103.794","0.003","90","","2710.3","0.4","143","2","143","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N4 O15 Pt S -","- C20 H24 N4 O15 Pt S -","- C80 H96 N16 O60 Pt4 S4 -","4","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.03","0.0263","","","0.0515","0.0523","","","","","","1.23","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075607","9.9644","0.0015","13.156","0.002","17.352","0.003","84.802","0.003","74.979","0.003","85.99","0.003","2185.4","0.6","143","2","143","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H37 Cl3 N6 O14 Pt -","- C37 H37 Cl3 N6 O14 Pt -","- C74 H74 Cl6 N12 O28 Pt2 -","2","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.0318","0.0274","","","0.0617","0.0635","","","","","","1.028","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075608","21.1834","0.0016","11.2289","0.0008","16.2941","0.0012","90","","93.091","0.002","90","","3870.2","0.5","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N6 O14 Pt -","- C36 H36 N6 O14 Pt -","- C144 H144 N24 O56 Pt4 -","4","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.0393","0.0255","","","0.0517","0.0554","","","","","","1.001","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075609","32.917","0.003","8.544","0.0008","51.357","0.005","90","","104.698","0.008","90","","13971","2","133","2","133","2","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C28 H28 Cl3 N5 O14 Pt -","- C27 H27 N5 O14 Pt -","- C432 H432 N80 O224 Pt16 -","16","4","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.1276","0.0725","","","0.1691","0.1838","","","","","","0.992","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075610","10.5115","0.0008","9.5613","0.0006","26.9995","0.0018","90","","92.123","0.003","90","","2711.7","0.3","143","2","143","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 Cl2 N4 O15 Pt -","- C20 H20 Cl2 N4 O15 Pt -","- C80 H80 Cl8 N16 O60 Pt4 -","4","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.0353","0.0285","","","0.066","0.068","","","","","","1.085","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075611","9.0734","0.0006","10.5091","0.0008","15.3912","0.0011","72.588","0.003","88.431","0.003","83.9","0.003","1392.41","0.17","133","2","133","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H25 N4 O15 Pt -","- C22 H25 N4 O15 Pt -","- C44 H50 N8 O30 Pt2 -","2","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.0205","0.0172","","","0.0422","0.043","","","","","","1.004","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075612","18.1068","0.0011","20.7282","0.0013","20.7627","0.0013","90","","90","","90","","7792.7","0.8","133","2","133","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C37 H33 N4 O15 P Pt -","- C37 H33 N4 O15 P Pt -","- C296 H264 N32 O120 P8 Pt8 -","8","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.027","0.0191","","","0.0462","0.0495","","","","","","1.028","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075613","9.9072","0.0008","40.753","0.003","10.6809","0.0008","90","","103.874","0.003","90","","4186.6","0.6","133","2","133","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C38 H34 Cl3 N4 O15 P Pt -","- C38 H34 Cl3 N4 O15 P Pt -","- C152 H136 Cl12 N16 O60 P4 Pt4 -","4","1","","Vicente, José; Arcas, Aurelia; Gálvez-López, María-Dolores; Jones, Peter G.","Bis(2,6-dinitroaryl)platinum(II) Complexes. Cis/Trans Isomerization†","Organometallics","2006","25","18","4247","","10.1021/om060398t","","","0.71073","MoKα","","0.0518","0.0436","","","0.0877","0.0897","","","","","","1.226","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075614","14.957","0.0009","15.2972","0.001","18.6367","0.0012","90","","96.821","0.001","90","","4233.9","0.5","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H60 P4 Pt2 Si4 -","- C34 H60 P4 Pt2 Si4 -","- C136 H240 P16 Pt8 Si16 -","4","1","","Shimada, Shigeru; Li, Yong-Hua; Rao, Maddali L. N.; Tanaka, Masato","A PtIII2Si2Four-Membered Cycle and a Dinuclear Platinum Complex Bridged by a Cyclodisiloxane Ring","Organometallics","2006","25","16","3796","","10.1021/om0604019","","","0.71069","MoKα","","","0.0208","","","","0.0507","","","","","","1.027","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4075615","8.8853","0.0013","10.264","0.0009","11.3562","0.0013","98.945","0.01","109.916","0.008","97.737","0.01","942.1","0.2","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H52 O2 P4 Pt2 Si4 -","- C28 H52 O2 P4 Pt2 Si4 -","- C28 H52 O2 P4 Pt2 Si4 -","1","0.5","","Shimada, Shigeru; Li, Yong-Hua; Rao, Maddali L. N.; Tanaka, Masato","A PtIII2Si2Four-Membered Cycle and a Dinuclear Platinum Complex Bridged by a Cyclodisiloxane Ring","Organometallics","2006","25","16","3796","","10.1021/om0604019","","","0.71069","MoKα","","","0.0273","","","","0.0631","","","","","","1.001","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075616","12.047","0.003","15.9","0.003","21.476","0.005","90","","90","","90","","4113.7","1.6","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(2-phenyl-6-(2-amino-(3',3'-dimethyl)-propyl)pyridine,C,N,N')- [1,4-bis(diphenylphosphino)-buthane,P,P']chloro-ruthenium(II)","","- C44 H47 Cl N2 P2 Ru -","- C44 H47 Cl N2 P2 Ru -","- C176 H188 Cl4 N8 P8 Ru4 -","4","1","","Baratta, Walter; Bosco, Marco; Chelucci, Giorgio; Del Zotto, Alessandro; Siega, Katia; Toniutti, Micaela; Zangrando, Ennio; Rigo, Pierluigi","Terdentate RuX(CNN)(PP) (X = Cl, H, OR) Complexes: Synthesis, Properties, and Catalytic Activity in Fast Transfer Hydrogenation","Organometallics","2006","25","19","4611","","10.1021/om060408q","","","0.71073","Mokα","","0.0416","0.034","","","0.0832","0.0858","","","","","","0.975","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075617","10.1166","0.0009","16.5993","0.0017","10.9799","0.0011","90","","110.6","0.002","90","","1725.9","0.3","295","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","(SIPr)Cu(OAc)","","","- C35 H47 Cu N2 O2 -","- C35 H47 Cu N2 O2 -","- C70 H94 Cu2 N4 O4 -","2","1","","Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R.; Petersen, Jeffrey L.","Single-Electron Oxidation of Monomeric Copper(I) Alkyl Complexes: Evidence for Reductive Elimination through Bimolecular Formation of Alkanes","Organometallics","2006","25","17","4097","","10.1021/om060409i","","","0.71073","MoKα","","0.0859","0.0593","","","0.1361","0.1548","","","","","","1.013","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075618","9.428","0.0006","20.0375","0.0012","11.9928","0.0008","90","","104.074","0.001","90","","2197.6","0.2","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","(IMes)Cu(OAc)","","","- C23 H27 Cu N2 O2 -","- C23 H27 Cu N2 O2 -","- C92 H108 Cu4 N8 O8 -","4","1","","Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R.; Petersen, Jeffrey L.","Single-Electron Oxidation of Monomeric Copper(I) Alkyl Complexes: Evidence for Reductive Elimination through Bimolecular Formation of Alkanes","Organometallics","2006","25","17","4097","","10.1021/om060409i","","","0.71073","MoKα","","0.0754","0.0565","","","0.1591","0.1773","","","","","","1.031","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075619","15.1868","0.0009","15.6168","0.0009","16.0275","0.001","98.396","0.001","98.581","0.001","99.305","0.001","3652.4","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","(dtbpe)Cu(OAc)","","","- C20 H43 Cu O2 P2 -","- C20 H43 Cu O2 P2 -","- C120 H258 Cu6 O12 P12 -","6","3","","Goj, Laurel A.; Blue, Elizabeth D.; Delp, Samuel A.; Gunnoe, T. Brent; Cundari, Thomas R.; Petersen, Jeffrey L.","Single-Electron Oxidation of Monomeric Copper(I) Alkyl Complexes: Evidence for Reductive Elimination through Bimolecular Formation of Alkanes","Organometallics","2006","25","17","4097","","10.1021/om060409i","","","0.71073","MoKα","","0.0684","0.0434","","","0.1122","0.1262","","","","","","1.035","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075620","13.002","0.002","16.534","0.003","13.345","0.002","90","","95.971","0.003","90","","2853.3","0.8","143","2","143","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H38 N2 Pt -","- C36 H38 N2 Pt -","- C144 H152 N8 Pt4 -","4","1","","Young, Kenneth J. H.; Meier, Steven K.; Gonzales, Jason M.; Oxgaard, Jonas; Goddard, William A.; Periana, Roy A.","Heterolytic CH Activation with a Cyclometalated Platinum(II) 6-Phenyl-4,4‘-di-tert-butyl-2,2-Bipyridine Complex","Organometallics","2006","25","20","4734","","10.1021/om060410h","","","0.71073","MoKα","","0.0417","0.0298","","","0.0638","0.0677","","","","","","1.002","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075621","13.317","0.003","16.389","0.003","23.527","0.005","93.51","0.03","100.28","0.03","109.95","0.03","4708","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H54 B10 O0.5 P2 Ru -","- C48 H50 B10 O0.5 P2 Ru -","- C192 H200 B40 O2 P8 Ru4 -","4","2","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction Scope and Mechanism of Sterically Induced Ruthenium-Mediated Intramolecular Coupling ofo-Carboranyl with Cyclopentadienyl. Synthesis and Structure of Ruthenium Complexes Incorporating Doubly Linked Cyclopentadienyl−Carboranyl Ligands","Organometallics","2006","25","17","4188","","10.1021/om0604122","","","0.71073","MoKα","","0.0523","0.0475","","","0.1308","0.1358","","","","","","1.035","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4075622","10.3347","0.0015","12.5767","0.0018","16.789","0.002","81.816","0.003","81.231","0.003","84.432","0.003","2128.4","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H48 B10 P2 Ru -","- C45 H48 B10 P2 Ru -","- C90 H96 B20 P4 Ru2 -","2","1","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction Scope and Mechanism of Sterically Induced Ruthenium-Mediated Intramolecular Coupling ofo-Carboranyl with Cyclopentadienyl. Synthesis and Structure of Ruthenium Complexes Incorporating Doubly Linked Cyclopentadienyl−Carboranyl Ligands","Organometallics","2006","25","17","4188","","10.1021/om0604122","","","0.71073","MoKα","","0.0863","0.0517","","","0.1106","0.1273","","","","","","1.007","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075623","17.534","0.001","12.2962","0.0007","21.3743","0.0011","90","","102.497","0.001","90","","4499.1","0.4","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C47 H52 B10 P2 Ru -","- C47 H52 B10 P2 Ru -","- C188 H208 B40 P8 Ru4 -","4","1","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction Scope and Mechanism of Sterically Induced Ruthenium-Mediated Intramolecular Coupling ofo-Carboranyl with Cyclopentadienyl. Synthesis and Structure of Ruthenium Complexes Incorporating Doubly Linked Cyclopentadienyl−Carboranyl Ligands","Organometallics","2006","25","17","4188","","10.1021/om0604122","","","0.71073","MoKα","","0.0472","0.0326","","","0.0812","0.0877","","","","","","1.001","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075624","14.7615","0.0008","14.7615","0.0008","31.863","0.003","90","","90","","90","","6943","0.8","294","2","294","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C54 H70 B20 N2 P2 Ru2 Si2 -","- C54 H70 B20 N2 P2 Ru2 Si2 -","- C216 H280 B80 N8 P8 Ru8 Si8 -","4","0.5","","Sun, Yi; Chan, Hoi-Shan; Xie, Zuowei","Reaction Scope and Mechanism of Sterically Induced Ruthenium-Mediated Intramolecular Coupling ofo-Carboranyl with Cyclopentadienyl. Synthesis and Structure of Ruthenium Complexes Incorporating Doubly Linked Cyclopentadienyl−Carboranyl Ligands","Organometallics","2006","25","17","4188","","10.1021/om0604122","","","0.71073","MoKα","","0.0663","0.0463","","","0.1353","0.1534","","","","","","1.134","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075625","10.2229","0.0019","14.716","0.003","17.344","0.003","105.489","0.007","102.955","0.008","94.604","0.008","2423","0.8","110","2","110","2","","","","","","","","8","P -1","-P 1","2","","","","- C48 H44 B9 N O5 P2 Re Rh -","- C48 H44 B9 N O5 P2 Re Rh -","- C96 H88 B18 N2 O10 P4 Re2 Rh2 -","2","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Lu, Xiu Lian; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 1. Synthesis and Structures of Bimetallic Precursors§","Organometallics","2006","25","19","4444","","10.1021/om060417z","","","0.71073","MoKα","","0.0397","0.0304","","","0.068","0.0721","","","","","","1.037","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075626","10.539","0.003","27.952","0.007","17.337","0.004","90","","99.897","0.009","90","","5031","2","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 B9 Ir N O6 P2 Re -","- C49 H44 B9 Ir N O6 P2 Re -","- C196 H176 B36 Ir4 N4 O24 P8 Re4 -","4","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Lu, Xiu Lian; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 1. Synthesis and Structures of Bimetallic Precursors§","Organometallics","2006","25","19","4444","","10.1021/om060417z","","","0.71073","MoKα","","0.0432","0.0325","","","0.079","0.0834","","","","","","1.023","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075627","10.295","0.002","28.103","0.005","17.398","0.004","90","","99.739","0.008","90","","4961.1","1.7","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 B9 N O6 P2 Re Rh -","- C49 H44 B9 N O6 P2 Re Rh -","- C196 H176 B36 N4 O24 P8 Re4 Rh4 -","4","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Lu, Xiu Lian; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 1. Synthesis and Structures of Bimetallic Precursors§","Organometallics","2006","25","19","4444","","10.1021/om060417z","","","0.71073","MoKα","","0.0449","0.0289","","","0.0554","0.0579","","","","","","1.044","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075628","44.096","0.01","9.566","0.002","31.963","0.007","90","","120.92","0.009","90","","11567","5","110","2","110","2","","","","","","","","9","C 1 2/c 1","-C 2yc","15","","","","- C53 H53 B9 Cl3 Ir Mn N O6 P2 -","- C53 H47 B9 Cl3 Ir Mn N O6 P2 -","- C424 H376 B72 Cl24 Ir8 Mn8 N8 O48 P16 -","8","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Lu, Xiu Lian; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 1. Synthesis and Structures of Bimetallic Precursors§","Organometallics","2006","25","19","4444","","10.1021/om060417z","","","0.71073","MoKα","","0.2105","0.0821","","","0.1548","0.1954","","","","","","0.93","","","","has coordinates,has disorder","178645","2020-10-21","18:00:00",""
"4075629","10.2676","0.0011","28.011","0.002","17.3581","0.0019","90","","99.232","0.004","90","","4927.6","0.8","110","2","110","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C49 H44 B9 Mn N O6 P2 Rh -","- C49 H44 B9 Mn N O6 P2 Rh -","- C196 H176 B36 Mn4 N4 O24 P8 Rh4 -","4","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Lu, Xiu Lian; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 1. Synthesis and Structures of Bimetallic Precursors§","Organometallics","2006","25","19","4444","","10.1021/om060417z","","","0.71073","MoKα","","0.1354","0.0605","","","0.0983","0.1168","","","","","","0.957","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4075630","11.2164","0.0003","15.8298","0.0005","18.7704","0.0006","80.508","0.002","75.686","0.002","79.363","0.002","3148.8","0.17","110","2","110","2","","","","","","","","9","P -1","-P 1","2","","","","- C63 H63 B9 Cl2 Ir N2 O5 P2 Re -","- C63.65 H55 B9 Cl2 Ir N2 O5 P2 Re -","- C127.3 H110 B18 Cl4 Ir2 N4 O10 P4 Re2 -","2","1","","McGrath, Thomas D.; Du, Shaowu; Hodson, Bruce E.; Lu, Xiu Lian; Stone, F. Gordon A.","Construction of Metal Butterflies on a Metallacarborane Scaffold. 1. Synthesis and Structures of Bimetallic Precursors§","Organometallics","2006","25","19","4444","","10.1021/om060417z","","","0.71073","MoKα","","0.0831","0.045","","","0.0745","0.0873","","","","","","1.006","","","","has coordinates","178645","2020-10-21","18:00:00",""
"4082246","12.1903","0.0002","12.9598","0.0001","16.9421","0.0003","84.033","0.001","88.025","0.001","70.33","0.001","2506.74","0.07","84","2","84","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H50 O4 Os P2 S -","- C60 H50 O4 Os P2 S -","- C120 H100 O8 Os2 P4 S2 -","2","1","","Clark, George R.; Johns, Paul M.; Roper, Warren R.; Wright, L. James","An Osmabenzofuran from Reaction between Os(PhC⋮CPh)(CS)(PPh3)2and Methyl Propiolate and the C-Protonation of this Compound to Form a Tethered Osmabenzene","Organometallics","2006","25","7","1771","","10.1021/om0510371","","","0.71073","MoKα","","0.0431","0.0326","","","0.0743","0.0794","","","","","","1.052","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4082248","8.495","0.001","16.87","0.001","11.447","0.001","90","","106.974","0.001","90","","1569","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H35 Cl2 N P2 Pd -","- C35 H35 Cl2 N P2 Pd -","- C70 H70 Cl4 N2 P4 Pd2 -","2","1","","Boubekeur, Leila; Ricard, Louis; Mézailles, Nicolas; Demange, Matthieu; Auffrant, Audrey; Le Floch, Pascal","Nitrogen-Assisted Ortho Lithiation: One-Pot Synthesis of New Classes of Bidentate and Tetradentate Mixed Pσim N Ligands","Organometallics","2006","25","12","3091","","10.1021/om060208e","","","0.71069","MoKα","","0.0197","0.0191","","","0.0517","0.0522","","","","","","1.007","","","","has coordinates","178711","2020-10-21","18:00:00",""
"4083789","10.877","0.002","12.461","0.003","13.788","0.003","71.98","0.03","87.58","0.03","77.87","0.03","1736.9","0.7","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H102 F12 Ir2 N4 P6 -","- C62 H102 F12 Ir2 N4 P6 -","- C62 H102 F12 Ir2 N4 P6 -","1","0.5","","Ben-Ari, Eyal; Cohen, Revital; Gandelman, Mark; Shimon, Linda J. W.; Martin, Jan M. L.; Milstein, David","orthoC−H Activation of Haloarenes and Anisole by an Electron-Rich Iridium(I) Complex: Mechanism and Origin of Regio- and Chemoselectivity. An Experimental and Theoretical Study","Organometallics","2006","25","13","3190","","10.1021/om060078+","","","0.71073","MoKα","","0.0338","0.0287","","","0.0679","0.0699","","","","","","1.088","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083790","13.587","0.0019","13.587","0.0019","35.221","0.007","90","","90","","90","","6502","1.8","120","2","120","2","","","","","","","","7","P 43 21 2","P 4nw 2abw","96","","","","- C31.5 H34.5 B0.5 F12 Ir0.5 N0.5 P -","- C31.5 H34.5 B0.5 F12 Ir0.5 N0.5 P -","- C252 H276 B4 F96 Ir4 N4 P8 -","8","1","","Ben-Ari, Eyal; Cohen, Revital; Gandelman, Mark; Shimon, Linda J. W.; Martin, Jan M. L.; Milstein, David","orthoC−H Activation of Haloarenes and Anisole by an Electron-Rich Iridium(I) Complex: Mechanism and Origin of Regio- and Chemoselectivity. An Experimental and Theoretical Study","Organometallics","2006","25","13","3190","","10.1021/om060078+","","","0.71073","MoKα","","0.0333","0.0284","","","0.0641","0.0653","","","","","","1.047","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4083791","18","0.004","18.742","0.004","19.172","0.004","90","","94.42","0.03","90","","6449","2","120","2","120","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C62 H63 B F24 Ir N O P2 -","- C62 H63 B F24 Ir N O P2 -","- C248 H252 B4 F96 Ir4 N4 O4 P8 -","4","1","","Ben-Ari, Eyal; Cohen, Revital; Gandelman, Mark; Shimon, Linda J. W.; Martin, Jan M. L.; Milstein, David","orthoC−H Activation of Haloarenes and Anisole by an Electron-Rich Iridium(I) Complex: Mechanism and Origin of Regio- and Chemoselectivity. An Experimental and Theoretical Study","Organometallics","2006","25","13","3190","","10.1021/om060078+","","","0.71073","MoKα","","0.0691","0.0391","","","0.0852","0.0978","","","","","","1.012","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083792","14.9114","0.0011","14.087","0.0011","14.9432","0.0011","90","","117.789","0.001","90","","2776.9","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H44 Fe P2 Se2 -","- C26 H44 Fe P2 Se2 -","- C104 H176 Fe4 P8 Se8 -","4","1","","Blanco, Fawn N.; Hagopian, Laura E.; McNamara, William R.; Golen, James A.; Rheingold, Arnold L.; Nataro, Chip","Anodic Electrochemistry of Free and Coordinated 1,1‘-Bis(di-tert-butylphosphino)ferrocene","Organometallics","2006","25","18","4292","","10.1021/om051011+","","","0.71073","MoKα","","0.0293","0.0247","","","0.0612","0.0633","","","","","","1.027","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083793","12.0758","0.0013","15.8867","0.0017","18.513","0.002","90","","90","","90","","3551.6","0.7","213","2","213","2","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","- C27 H46 B2 Cl2 F8 Fe O0 P2 Se2 -","- C27 H46 B2 Cl2 F8 Fe P2 Se2 -","- C108 H184 B8 Cl8 F32 Fe4 P8 Se8 -","4","1","","Blanco, Fawn N.; Hagopian, Laura E.; McNamara, William R.; Golen, James A.; Rheingold, Arnold L.; Nataro, Chip","Anodic Electrochemistry of Free and Coordinated 1,1‘-Bis(di-tert-butylphosphino)ferrocene","Organometallics","2006","25","18","4292","","10.1021/om051011+","","","0.71073","MoKα","","0.0406","0.0347","","","0.0897","0.0922","","","","","","1.072","","","","has coordinates","178726","2020-10-21","18:00:00",""
"4083795","9.3543","0.0002","15.8642","0.0003","16.9042","0.0004","87.6752","0.0014","86.2064","0.0015","77.4549","0.001","2442.42","0.09","103","2","103","2","","","","","","","","4","P -1","-P 1","2","9-germaanthracene","","","- C43 H76 Ge Si7 -","- C43 H76 Ge Si7 -","- C86 H152 Ge2 Si14 -","2","1","","Sasamori, Takahiro; Inamura, Koji; Hoshino, Wataru; Nakata, Norio; Mizuhata, Yoshiyuki; Watanabe, Yasuaki; Furukawa, Yukio; Tokitoh, Norihiro","Synthesis and Characterization of Two Isomers of 14π-Electron Germaaromatics: Kinetically Stabilized 9-Germaanthracene and 9-Germaphenanthrene","Organometallics","2006","25","15","3533","","10.1021/om060371+","","","0.71069","MoKα","","0.0354","0.0306","","","0.0792","0.0815","","","","","","1.055","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083796","45.4641","0.0006","9.3634","0.0002","43.3349","0.0007","90","","91.0317","0.0005","90","","18444.6","0.6","103","2","103","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","9-germaphenanthrene","","","- C40 H68 Ge Si6 -","- C40 H68 Ge Si6 -","- C640 H1088 Ge16 Si96 -","16","2","","Sasamori, Takahiro; Inamura, Koji; Hoshino, Wataru; Nakata, Norio; Mizuhata, Yoshiyuki; Watanabe, Yasuaki; Furukawa, Yukio; Tokitoh, Norihiro","Synthesis and Characterization of Two Isomers of 14π-Electron Germaaromatics: Kinetically Stabilized 9-Germaanthracene and 9-Germaphenanthrene","Organometallics","2006","25","15","3533","","10.1021/om060371+","","","0.71069","MoKα","","0.0634","0.0434","","","0.0892","0.0986","","","","","","1.054","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083797","16.9585","0.0011","16.6614","0.001","20.4281","0.0015","90","","112.585","0.002","90","","5329.4","0.6","103","2","103","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","9-germaanthracene_dimer","","","- C100 H168 Ge2 Si14 -","- C100 H168 Ge2 Si14 -","- C200 H336 Ge4 Si28 -","2","0.5","","Sasamori, Takahiro; Inamura, Koji; Hoshino, Wataru; Nakata, Norio; Mizuhata, Yoshiyuki; Watanabe, Yasuaki; Furukawa, Yukio; Tokitoh, Norihiro","Synthesis and Characterization of Two Isomers of 14π-Electron Germaaromatics: Kinetically Stabilized 9-Germaanthracene and 9-Germaphenanthrene","Organometallics","2006","25","15","3533","","10.1021/om060371+","","","0.7107","MoKα","","0.0446","0.0401","","","0.0869","0.0891","","","","","","1.136","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4083798","8.7967","0.0018","13.448","0.003","15.832","0.003","86.44","0.03","88.89","0.03","71.43","0.03","1772","0.7","100","2","100","2","","","","","","","","8","P -1","-P 1","2","","","","- C34 H23 B Cl4 F4 N4 O4 Ru2 -","- C34 H23 B Cl4 F4 N4 O4 Ru2 -","- C68 H46 B2 Cl8 F8 N8 O8 Ru4 -","2","1","","Patra, Sanjib K.; Bera, Jitendra K.","Axial Interaction of the [Ru2(CO)4]2+Core with the Aryl C−H Bond: Route to Cyclometalated Compounds Involving a Metal−Metal-Bonded Diruthenium Unit","Organometallics","2006","25","26","6054","","10.1021/om060774+","","","0.71073","MoKα","","0.0724","0.0496","","","0.1095","0.1208","","","","","","1","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4083799","11.6387","0.0007","20.9611","0.0013","28.5005","0.0017","90","","90","","90","","6953","0.7","100","2","100","2","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C33 H25 B Cl2 F4 N4 O6 Ru2 -","- C33 H25 B Cl2 F4 N4 O6 Ru2 -","- C264 H200 B8 Cl16 F32 N32 O48 Ru16 -","8","1","","Patra, Sanjib K.; Bera, Jitendra K.","Axial Interaction of the [Ru2(CO)4]2+Core with the Aryl C−H Bond: Route to Cyclometalated Compounds Involving a Metal−Metal-Bonded Diruthenium Unit","Organometallics","2006","25","26","6054","","10.1021/om060774+","","","0.71073","MoKα","","0.0729","0.0597","","","0.112","0.1166","","","","","","1.241","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4083800","10.9954","0.0014","20.666","0.003","15.687","0.002","90","","106.961","0.002","90","","3409.5","0.8","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C28 H15 B F4 N4 O4 Ru2 S2 -","- C28 H15 B F4 N4 O4 Ru2 S2 -","- C112 H60 B4 F16 N16 O16 Ru8 S8 -","4","1","","Patra, Sanjib K.; Bera, Jitendra K.","Axial Interaction of the [Ru2(CO)4]2+Core with the Aryl C−H Bond: Route to Cyclometalated Compounds Involving a Metal−Metal-Bonded Diruthenium Unit","Organometallics","2006","25","26","6054","","10.1021/om060774+","","","0.71073","MoKα","","0.0924","0.061","","","0.1411","0.1543","","","","","","0.961","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4083801","16.2584","0.0008","8.3","0.0004","19.3585","0.001","90","","109.431","0.001","90","","2463.5","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 Cl3 N2 O6 Rh2 -","- C21 H19 Cl3 N2 O6 Rh2 -","- C84 H76 Cl12 N8 O24 Rh8 -","4","1","","Patra, Sanjib K.; Bera, Jitendra K.","Axial Interaction of the [Ru2(CO)4]2+Core with the Aryl C−H Bond: Route to Cyclometalated Compounds Involving a Metal−Metal-Bonded Diruthenium Unit","Organometallics","2006","25","26","6054","","10.1021/om060774+","","","0.71073","MoKα","","0.0386","0.0355","","","0.0928","0.0949","","","","","","1.065","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4083802","11.6974","0.0017","22.563","0.003","21.13","0.003","90","","95.951","0.003","90","","5546.8","1.3","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C47 H42 B2 Cl6 F8 N6 O4 Rh2 -","- C47 H42 B2 Cl6 F8 N6 O4 Rh2 -","- C188 H168 B8 Cl24 F32 N24 O16 Rh8 -","4","1","","Patra, Sanjib K.; Bera, Jitendra K.","Axial Interaction of the [Ru2(CO)4]2+Core with the Aryl C−H Bond: Route to Cyclometalated Compounds Involving a Metal−Metal-Bonded Diruthenium Unit","Organometallics","2006","25","26","6054","","10.1021/om060774+","","","0.71073","MoKα","","0.1353","0.0866","","","0.1777","0.2016","","","","","","1.067","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4083803","6.7464","0.0005","14.2479","0.001","8.4038","0.0006","90","","112.833","0.004","90","","744.49","0.1","200","2","200","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H18 I N3 Pt -","- C13 H18 I N3 Pt -","- C26 H36 I2 N6 Pt2 -","2","0.5","","Zhang, Fenbao; Prokopchuk, Ernest M.; Broczkowski, Michael E.; Jennings, Michael C.; Puddephatt, Richard J.","Hydridodimethylplatinum(IV) Complexes with Bis(pyridine) Ligands: Effect of Chelate Ring Size on Reactivity","Organometallics","2006","25","7","1583","","10.1021/om050982m","","","0.71073","MoKα","","0.053","0.0323","","","0.0556","0.0594","","","","","","0.925","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083804","4.0239","0.0003","19.5685","0.0014","15.3161","0.001","90","","96.298","0.004","90","","1198.74","0.15","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 Cl N2 O Pt -","- C12 H11 Cl N2 O Pt -","- C48 H44 Cl4 N8 O4 Pt4 -","4","1","","Zhang, Fenbao; Prokopchuk, Ernest M.; Broczkowski, Michael E.; Jennings, Michael C.; Puddephatt, Richard J.","Hydridodimethylplatinum(IV) Complexes with Bis(pyridine) Ligands: Effect of Chelate Ring Size on Reactivity","Organometallics","2006","25","7","1583","","10.1021/om050982m","","","0.71073","MoKα","","0.1144","0.0988","","","0.2624","0.2705","","","","","","1.083","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083805","9.9704","0.0003","10.1342","0.0003","11.7173","0.0004","90","","94.027","0.002","90","","1181.02","0.06","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 Cl2 N3 Pt -","- C10 H9 Cl2 N3 Pt -","- C40 H36 Cl8 N12 Pt4 -","4","1","","Zhang, Fenbao; Prokopchuk, Ernest M.; Broczkowski, Michael E.; Jennings, Michael C.; Puddephatt, Richard J.","Hydridodimethylplatinum(IV) Complexes with Bis(pyridine) Ligands: Effect of Chelate Ring Size on Reactivity","Organometallics","2006","25","7","1583","","10.1021/om050982m","","","0.71073","MoKα","","0.0577","0.0334","","","0.0606","0.0664","","","","","","0.967","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083806","8.2846","0.0002","14.8183","0.0004","16.5","0.0004","90","","90","","90","","2025.6","0.09","150","2","150","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 F6 N2 O9 Pt S2 -","- C13 H12 F6 N2 O9 Pt S2 -","- C52 H48 F24 N8 O36 Pt4 S8 -","4","1","","Zhang, Fenbao; Prokopchuk, Ernest M.; Broczkowski, Michael E.; Jennings, Michael C.; Puddephatt, Richard J.","Hydridodimethylplatinum(IV) Complexes with Bis(pyridine) Ligands: Effect of Chelate Ring Size on Reactivity","Organometallics","2006","25","7","1583","","10.1021/om050982m","","","0.71073","MoKα","","0.0397","0.0333","","","0.0726","0.075","","","","","","1.083","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083807","22.1033","0.0004","21.9063","0.0003","12.9826","0.0002","90","","90","","90","","6286.19","0.17","150","2","150","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C26 H22 F6 N4 O10.5 Pt2 S2 -","- C26 H22 F6 N4 O10.5 Pt2 S2 -","- C208 H176 F48 N32 O84 Pt16 S16 -","8","1","","Zhang, Fenbao; Prokopchuk, Ernest M.; Broczkowski, Michael E.; Jennings, Michael C.; Puddephatt, Richard J.","Hydridodimethylplatinum(IV) Complexes with Bis(pyridine) Ligands: Effect of Chelate Ring Size on Reactivity","Organometallics","2006","25","7","1583","","10.1021/om050982m","","","0.71073","MoKα","","0.0776","0.0485","","","0.1147","0.1265","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083808","15.7153","0.0008","12.44","0.0005","8.7904","0.0004","90","","90","","90","","1718.51","0.14","150","2","150","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C14 H17 Cl3 N2 O Pt -","- C15 H17 Cl3 N2 O Pt -","- C60 H68 Cl12 N8 O4 Pt4 -","4","0.5","","Zhang, Fenbao; Prokopchuk, Ernest M.; Broczkowski, Michael E.; Jennings, Michael C.; Puddephatt, Richard J.","Hydridodimethylplatinum(IV) Complexes with Bis(pyridine) Ligands: Effect of Chelate Ring Size on Reactivity","Organometallics","2006","25","7","1583","","10.1021/om050982m","","","0.71073","MoKα","","0.0757","0.0473","","","0.1105","0.1215","","","","","","1.043","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083809","10.572","0.001","13.172","0.001","13.501","0.001","86.396","0.001","67.056","0.001","87.169","0.001","1727.3","0.2","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C42 H40 O2 P2 -","- C42 H40 O2 P2 -","- C84 H80 O4 P4 -","2","1","","Siutkowski, Magali; Mercier, François; Ricard, Louis; Mathey, François","C2-BIPNOR: An Easily Accessible Homologue of BIPNOR for Asymmetric Catalysis","Organometallics","2006","25","10","2585","","10.1021/om060118+","","","0.71069","MoKα","","0.0591","0.0461","","","0.1357","0.1455","","","","","","1.074","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083810","17.66","0.005","18.503","0.005","19.066","0.005","90","","90","","90","","6230","3","150","1","150","1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C64 H70 Cl6 N2 P2 Pd2 -","- C64 H70 Cl6 N2 P2 Pd2 -","- C256 H280 Cl24 N8 P8 Pd8 -","4","1","","Siutkowski, Magali; Mercier, François; Ricard, Louis; Mathey, François","C2-BIPNOR: An Easily Accessible Homologue of BIPNOR for Asymmetric Catalysis","Organometallics","2006","25","10","2585","","10.1021/om060118+","","","0.71069","MoKα","","0.0704","0.0601","","","0.1609","0.1694","","","","","","1.034","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083811","12.737","0.005","16.766","0.005","20.593","0.005","90","0.005","90","0.005","90","0.005","4398","2","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C50 H50 F6 P3 Rh -","- C50 H50 F6 P3 Rh -","- C200 H200 F24 P12 Rh4 -","4","1","","Siutkowski, Magali; Mercier, François; Ricard, Louis; Mathey, François","C2-BIPNOR: An Easily Accessible Homologue of BIPNOR for Asymmetric Catalysis","Organometallics","2006","25","10","2585","","10.1021/om060118+","","","0.71069","MoKα","","0.0558","0.049","","","0.1243","0.1293","","","","","","1.004","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083812","9.7577","0.001","12.6044","0.0014","18.6464","0.0019","94.371","0.003","94.356","0.003","96.86","0.003","2261.9","0.4","295","2","295","2","","","","","","","","7","P -1","-P 1","2","","","","- C51 H64 Cl0 Fe N Ni P -","- C51 H64 Fe N Ni P -","- C102 H128 Fe2 N2 Ni2 P2 -","2","1","","Weng, Zhiqiang; Teo, Shihui; Hor, T. S. Andy","Stabilization of Nickel(0) by Hemilabile P,N-Ferrocene Ligands and Their Ethylene Oligomerization Activities","Organometallics","2006","25","20","4878","","10.1021/om060607+","","","0.71073","MoKα","","0.1436","0.0999","","","0.1957","0.2125","","","","","","1.16","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083813","11.0651","0.0008","15.21","0.0011","17.6504","0.0012","86.609","0.002","80.427","0.002","83.41","0.002","2907.4","0.4","223","2","223","2","","","","","","","","8","P -1","-P 1","2","","","","- C66 H52 F10 Fe2 N2 Ni O2 P2 -","- C66 H52 F10 Fe2 N2 Ni O2 P2 -","- C132 H104 F20 Fe4 N4 Ni2 O4 P4 -","2","1","","Weng, Zhiqiang; Teo, Shihui; Hor, T. S. Andy","Stabilization of Nickel(0) by Hemilabile P,N-Ferrocene Ligands and Their Ethylene Oligomerization Activities","Organometallics","2006","25","20","4878","","10.1021/om060607+","","","0.71073","MoKα","","0.0978","0.0652","","","0.1586","0.1741","","","","","","1.032","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083814","11.877","0.01","12.266","0.01","13.875","0.011","90.175","0.012","94.556","0.009","99.764","0.012","1985","3","173.1","","","","","","","","","","","7","P -1","-P 1","2","","","","- C43 H37 Cl2 I O2 P2 Pd -","- C43 H37 Cl2 I O2 P2 Pd -","- C86 H74 Cl4 I2 O4 P4 Pd2 -","2","1","","Kimura, Tsutomu; Uozumi, Yasuhiro","PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route","Organometallics","2006","25","20","4883","","10.1021/om060506b","","","0.7107","MoKα","","","0.086","","","","0.123","","","","","","1.247","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083815","16.616","0.003","10.991","0.002","16.714","0.003","90","","117.461","0.002","90","","2708.5","0.8","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 I O2 P2 Pd -","- C30 H23 I O2 P2 Pd -","- C120 H92 I4 O8 P8 Pd4 -","4","1","","Kimura, Tsutomu; Uozumi, Yasuhiro","PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route","Organometallics","2006","25","20","4883","","10.1021/om060506b","","","0.7107","MoKα","","","0.027","","","","0.045","","","","","","0.992","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083816","10.403","0.002","15.074","0.003","19.608","0.004","90","","94.774","0.003","90","","3064.2","1.1","173.1","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H31 I O2 P2 Pd -","- C34 H31 I O2 P2 Pd -","- C136 H124 I4 O8 P8 Pd4 -","4","1","","Kimura, Tsutomu; Uozumi, Yasuhiro","PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route","Organometallics","2006","25","20","4883","","10.1021/om060506b","","","0.7107","MoKα","","","0.062","","","","0.091","","","","","","1.392","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083817","29.0236","0.0011","14.3539","0.0007","13.7154","0.0008","90","","90","","90","","5713.9","0.5","173.1","","","","","","","","","","","6","P b c n","-P 2n 2ab","60","","","","- C14 H23 I O2 P2 Pd -","- C14 H23 I O2 P2 Pd -","- C168 H276 I12 O24 P24 Pd12 -","12","1.5","","Kimura, Tsutomu; Uozumi, Yasuhiro","PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route","Organometallics","2006","25","20","4883","","10.1021/om060506b","","","0.7107","MoKα","","","0.028","","","","0.037","","","","","","0.544","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083818","8.343","0.002","12.441","0.003","22.069","0.005","87.899","0.005","83.911","0.005","82.008","0.005","2255.1","0.9","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H31 I O2 P2 Pd -","- C18 H31 I O2 P2 Pd -","- C72 H124 I4 O8 P8 Pd4 -","4","2","","Kimura, Tsutomu; Uozumi, Yasuhiro","PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route","Organometallics","2006","25","20","4883","","10.1021/om060506b","","","0.7107","MoKα","","","0.027","","","","0.042","","","","","","0.714","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083819","10.0692","0.0011","10.389","0.0011","15.644","0.002","94.457","0.005","94.32","0.004","104.988","0.006","1568.3","0.3","173.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H47 I O2 P2 Pd -","- C30 H47 I O2 P2 Pd -","- C60 H94 I2 O4 P4 Pd2 -","2","1","","Kimura, Tsutomu; Uozumi, Yasuhiro","PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route","Organometallics","2006","25","20","4883","","10.1021/om060506b","","","0.7107","MoKα","","","0.036","","","","0.059","","","","","","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083820","32.95","0.007","10.67","0.002","16.74","0.004","90","","90","","90","","5885","2","173.1","","","","","","","","","","","7","P c c n","-P 2ab 2ac","56","","","","- C22 H43 I N4 O2 P2 Pd -","- C22 H43 I N4 O2 P2 Pd -","- C176 H344 I8 N32 O16 P16 Pd8 -","8","1","","Kimura, Tsutomu; Uozumi, Yasuhiro","PCP Pincer Palladium Complexes and Their Catalytic Properties: Synthesis via the Electrophilic Ligand Introduction Route","Organometallics","2006","25","20","4883","","10.1021/om060506b","","","0.7107","MoKα","","","0.042","","","","0.081","","","","","","1.006","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4083822","7.7014","0.0008","12.2733","0.0006","16.2955","0.0008","90","","97.224","0.006","90","","1528.05","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 Br2 N5 Ni -","- C13 H13 Br2 N5 Ni -","- C52 H52 Br8 N20 Ni4 -","4","1","","Inamoto, Kiyofumi; Kuroda, Jun-ichi; Hiroya, Kou; Noda, Yukio; Watanabe, Masashi; Sakamoto, Takao","Synthesis and Catalytic Activity of a Pincer-Type Bis(imidazolin-2-ylidene) Nickel(II) Complex","Organometallics","2006","25","12","3095","","10.1021/om060043+","","","0.71069","MoKα","","0.0542","0.0414","","","0.0881","0.0934","","","","","","1.034","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083823","12.2933","0.0011","48.841","0.004","16.6524","0.0016","90","","96.913","0.002","90","","9925.7","1.5","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C105 H102 Au4 Cl6 O4 P4 -","- C105 H102 Au4 Cl6 O4 P4 -","- C420 H408 Au16 Cl24 O16 P16 -","4","1","","Habermehl, Nicolle C.; Eisler, Dana J.; Kirby, Christopher W.; Yue, Nancy L.-S.; Puddephatt, Richard J.","A Structural Probe for Organogold(I) Rings and [2]Catenanes","Organometallics","2006","25","12","2921","2928","10.1021/om0601706","","","0.71073","MoKα","","0.1608","0.0657","","","0.1469","0.1755","","","","","","0.92","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083824","11.3845","0.0008","17.4859","0.0012","16.5863","0.0011","90","","106.129","0.001","90","","3171.8","0.4","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H56 B2 P2 Si2 Sn -","- C22 H56 B2 P2 Si2 Sn -","- C88 H224 B8 P8 Si8 Sn4 -","4","1","","Izod, Keith; McFarlane, William; Tyson, Brent V.; Carr, Ian; Clegg, William; Harrington, Ross W.","Stabilization of a Dialkylstannylene by Unusual B‒H···Sn γ-Agostic-Type Interactions. A Structural, Spectroscopic, and DFT Study","Organometallics","2006","25","5","1135","1143","10.1021/om0600036","","","0.6898","synchrotron","","0.0222","0.0213","","","0.0543","0.0547","","","","","","1.041","","","","has coordinates","209840","2020-10-21","18:00:00",""
"4083825","7.0626","0.0004","11.9388","0.0006","37.699","0.002","90","","93.165","0.002","90","","3173.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H56 B2 P2 Si2 Sn -","- C22 H56 B2 P2 Si2 Sn -","- C88 H224 B8 P8 Si8 Sn4 -","4","1","","Izod, Keith; McFarlane, William; Tyson, Brent V.; Carr, Ian; Clegg, William; Harrington, Ross W.","Stabilization of a Dialkylstannylene by Unusual B‒H···Sn γ-Agostic-Type Interactions. A Structural, Spectroscopic, and DFT Study","Organometallics","2006","25","5","1135","1143","10.1021/om0600036","","","0.71073","MoKα","","0.0571","0.0487","","","0.0994","0.1028","","","","","","1.196","","","","has coordinates","209840","2020-10-21","18:00:00",""
"4083826","13.5277","0.0003","13.5151","0.0003","20.3801","0.0005","90","","107.892","0.001","90","","3545.86","0.14","100","2","100","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C30 H33 Cl2 Cr I3 N O4 P2 -","- C30 H33 Cl2 Cr I3 N O4 P2 -","- C120 H132 Cl8 Cr4 I12 N4 O16 P8 -","4","1","","Agapie, Theodor; Day, Michael W.; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E.","A Chromium-Diphosphine System for Catalytic Ethylene Trimerization: Synthetic and Structural Studies of Chromium Complexes with a Nitrogen-Bridged Diphosphine Ligand withortho-Methoxyaryl Substituents","Organometallics","2006","25","11","2733","","10.1021/om050605+","","","0.71073","MoKα","","0.0533","0.0335","","","0.0499","0.0516","","","","","","1.405","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4083827","9.7683","0.0006","16.6273","0.001","20.9934","0.0013","90","","94.99","0.001","90","","3396.8","0.4","98","2","98","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C31 H36 Cl4 Cr N O4 P2 -","- C31 H36 Cl4 Cr N O4 P2 -","- C124 H144 Cl16 Cr4 N4 O16 P8 -","4","1","","Agapie, Theodor; Day, Michael W.; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E.","A Chromium-Diphosphine System for Catalytic Ethylene Trimerization: Synthetic and Structural Studies of Chromium Complexes with a Nitrogen-Bridged Diphosphine Ligand withortho-Methoxyaryl Substituents","Organometallics","2006","25","11","2733","","10.1021/om050605+","","","0.71073","MoKα","","0.0899","0.0618","","","0.0988","0.1013","","","","","","2.76","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4083828","11.7105","0.0005","16.3059","0.0008","19.3321","0.0009","90","","102.333","0.001","90","","3606.3","0.3","98","2","98","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H39 Cr N O9 P2 -","- C37 H39 Cr N O9 P2 -","- C148 H156 Cr4 N4 O36 P8 -","4","1","","Agapie, Theodor; Day, Michael W.; Henling, Lawrence M.; Labinger, Jay A.; Bercaw, John E.","A Chromium-Diphosphine System for Catalytic Ethylene Trimerization: Synthetic and Structural Studies of Chromium Complexes with a Nitrogen-Bridged Diphosphine Ligand withortho-Methoxyaryl Substituents","Organometallics","2006","25","11","2733","","10.1021/om050605+","","","0.71073","MoKα","","0.0638","0.0394","","","0.062","0.0642","","","","","","1.755","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4083829","9.652","0.001","12.3096","0.0012","12.1615","0.0012","90","","90","","90","","1444.9","0.3","193","2","193","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H23 Cr N O -","- C15 H23 Cr N O -","- C60 H92 Cr4 N4 O4 -","4","0.5","","Norman, David W.; Ferguson, Michael J.; McDonald, Robert; Stryker, Jeffrey M.","s-trans-Diene Complexes of a First-Row Transition Metal. Half-Sandwichs-trans-η4-1,3-Diene Nitrosyl Complexes of Chromium","Organometallics","2006","25","11","2705","","10.1021/om050847+","","","0.71073","MoKα","","0.0455","0.0418","","","0.1177","0.1212","","","","","","1.158","","","","has coordinates,has disorder","178727","2020-10-21","18:00:00",""
"4083830","8.5929","0.0007","23.7465","0.0019","8.5735","0.0007","90","","116.89","0.0011","90","","1560.3","0.2","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H25 Cr N O -","- C16 H25 Cr N O -","- C64 H100 Cr4 N4 O4 -","4","1","","Norman, David W.; Ferguson, Michael J.; McDonald, Robert; Stryker, Jeffrey M.","s-trans-Diene Complexes of a First-Row Transition Metal. Half-Sandwichs-trans-η4-1,3-Diene Nitrosyl Complexes of Chromium","Organometallics","2006","25","11","2705","","10.1021/om050847+","","","0.71073","MoKα","","0.0611","0.0466","","","0.1242","0.1376","","","","","","1.074","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083831","12.3077","0.0015","13.0033","0.0015","12.7883","0.0015","90","","106.697","0.002","90","","1960.4","0.4","193","2","193","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H29 Cr N O2 Si -","- C17 H29 Cr N O2 Si -","- C68 H116 Cr4 N4 O8 Si4 -","4","1","","Norman, David W.; Ferguson, Michael J.; McDonald, Robert; Stryker, Jeffrey M.","s-trans-Diene Complexes of a First-Row Transition Metal. Half-Sandwichs-trans-η4-1,3-Diene Nitrosyl Complexes of Chromium","Organometallics","2006","25","11","2705","","10.1021/om050847+","","","0.71073","MoKα","","0.0909","0.0473","","","0.1004","0.1165","","","","","","1","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083832","12.4644","0.0014","7.3878","0.0008","12.7022","0.0014","90","","115.484","0.002","90","","1055.9","0.2","123","2","123","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H8 B Cr N O3 -","- C10 H8 B Cr N O3 -","- C40 H32 B4 Cr4 N4 O12 -","4","1","","Pan, Jun; Wang, Jia; Banaszak Holl, Mark M.; Kampf, Jeff W.; Ashe, Arthur J.","Haptotropic Migration from the Six- to the Five-Membered Ring of (3a,7a-Azaborindenyl)tricarbonylchromium Anion","Organometallics","2006","25","14","3463","","10.1021/om060239+","","","0.71073","MoKα","","0.0254","0.0245","","","0.0683","0.0691","","","","","","1.062","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083833","17.603","0.004","6.8267","0.0016","14.229","0.003","90","","113.281","0.003","90","","1570.7","0.6","123","2","123","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 B Cr N O3 Sn -","- C13 H16 B Cr N O3 Sn -","- C52 H64 B4 Cr4 N4 O12 Sn4 -","4","1","","Pan, Jun; Wang, Jia; Banaszak Holl, Mark M.; Kampf, Jeff W.; Ashe, Arthur J.","Haptotropic Migration from the Six- to the Five-Membered Ring of (3a,7a-Azaborindenyl)tricarbonylchromium Anion","Organometallics","2006","25","14","3463","","10.1021/om060239+","","","0.71073","MoKα","","0.0255","0.0197","","","0.0488","0.0515","","","","","","1.094","","","","has coordinates","178727","2020-10-21","18:00:00",""
"4083834","12.183","0.001","14.839","0.002","15.701","0.002","90","","91.057","0.002","90","","2838","0.6","153.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H42 Ir N2 P2 Si -","- C25 H43 Ir N2 P2 Si -","- C100 H172 Ir4 N8 P8 Si4 -","4","1","","Karshtedt, Dmitry; Bell, Alexis T.; Tilley, T. Don","Stoichiometric and Catalytic Reactions Involving Si−H Bond Activations by Rh and Ir Complexes Containing a Pyridylindolide Ligand","Organometallics","2006","25","19","4471","","10.1021/om060492+","","","0.7107","MoKα","","0.0619","0.0315","","0.0424","","0.0355","","","","","","1.106","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083835","12.3332","0.0009","10.7187","0.0008","24.159","0.002","90","","93.879","0.001","90","","3186.4","0.4","119.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 Rh -","- C21 H21 N2 Rh -","- C168 H168 N16 Rh8 -","8","2","","Karshtedt, Dmitry; Bell, Alexis T.; Tilley, T. Don","Stoichiometric and Catalytic Reactions Involving Si−H Bond Activations by Rh and Ir Complexes Containing a Pyridylindolide Ligand","Organometallics","2006","25","19","4471","","10.1021/om060492+","","","0.7107","MoKα","","","0.0368","","","","0.0388","","","","","","1.27","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083836","10.746","0.0007","11.5942","0.0008","14.648","0.001","98.463","0.001","98.369","0.001","110.232","0.001","1655.39","0.19","161.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H37 Ir N2 Si2 -","- C39 H37 Ir N2 Si2 -","- C78 H74 Ir2 N4 Si4 -","2","1","","Karshtedt, Dmitry; Bell, Alexis T.; Tilley, T. Don","Stoichiometric and Catalytic Reactions Involving Si−H Bond Activations by Rh and Ir Complexes Containing a Pyridylindolide Ligand","Organometallics","2006","25","19","4471","","10.1021/om060492+","","","0.7107","MoKα","","0.0283","0.0229","","0.0276","","0.0266","","","","","","1.158","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4083837","10.979","0.001","15.36","0.001","19.484","0.002","90","","90","","90","","3285.7","0.5","143.2","","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C37 H40 Ir N2 P Si -","- C37 H40 Ir N2 P Si -","- C148 H160 Ir4 N8 P4 Si4 -","4","1","","Karshtedt, Dmitry; Bell, Alexis T.; Tilley, T. Don","Stoichiometric and Catalytic Reactions Involving Si−H Bond Activations by Rh and Ir Complexes Containing a Pyridylindolide Ligand","Organometallics","2006","25","19","4471","","10.1021/om060492+","","","0.7107","MoKα","","0.0463","0.0341","","0.04","","0.0368","","","","","","1.163","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4086068","11.8617","","11.8617","","5.6519","","90","","90","","90","","795.222","","","","","","","","","","","","","4","I 41/a :2","-I 4ad","88","","Si (C H2 O H)4","","- C4 H12 O4 Si -","- C4 H12 O4 Si -","- C16 H48 O16 Si4 -","4","0.25","","Ilg, R.; Troegel, D.; Burschka, C.; Tacke, R.","Tetrafunctional silanes of the formula type Si (C H2)4 X (X = S Ac, S H, O Ac, O H, Br, I)","Organometallics","2006","25","","548","551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086069","9.3971","","9.4013","","27.0781","","90","","90","","90","","2392.21","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Si (C H2 I)4","","- C4 H8 I4 Si -","- C4 H8 I4 Si -","- C32 H64 I32 Si8 -","8","2","","Ilg, R.; Troegel, D.; Burschka, C.; Tacke, R.","Tetrafunctional silanes of the formula type Si (C H2)4 X (X = S Ac, S H, O Ac, O H, Br, I)","Organometallics","2006","25","","548","551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4086070","8.7291","","8.7291","","6.8619","","90","","90","","90","","522.857","","","","","","","","","","","","","4","P -4 21 c","P -4 2n","114","","Si (C H2 Br)4","","- C4 H8 Br4 Si -","- C4 H8 Br4 Si -","- C8 H16 Br8 Si2 -","2","0.25","","Ilg, R.; Troegel, D.; Burschka, C.; Tacke, R.","Tetrafunctional silanes of the formula type Si (C H2)4 X (X = S Ac, S H, O Ac, O H, Br, I)","Organometallics","2006","25","","548","551","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"4089345","10.638","0.004","11.351","0.003","12.251","0.004","97.89","0.02","110.574","0.008","91.28","0.02","1367.9","0.8","213.2","","213","","","","","","","","","7","P -1","-P 1","2","","","","- C27 H27 B F4 N3 P Pd2 -","- C27 H22 B F4 N3 P Pd2 -","- C54 H44 B2 F8 N6 P2 Pd4 -","2","1","","Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka","Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M‘L‘]BF4. 1. Specific Synthesis of Isomeric Heterodinuclear Complexes with Switched Metal Arrangements","Organometallics","2006","25","6","1344","","10.1021/om050896m","","","0.7107","MoKα","","","0.0658","","","","0.1746","","","","","","0.882","","","","has coordinates","243614","2020-10-21","18:00:00",""
"4089346","12.795","0.003","13.033","0.004","14.044","0.005","99.43","0.01","103.25","0.02","91.89","0.02","2242.7","1.2","213","","213","","","","","","","","","9","P -1","-P 1","2","","","","- C39 H45 B Cl4 F4 Ir N3 P Rh -","- C39 H41 B Cl4 F4 Ir N3 P Rh -","- C78 H82 B2 Cl8 F8 Ir2 N6 P2 Rh2 -","2","1","","Dubs, Christian; Yamamoto, Toshiki; Inagaki, Akiko; Akita, Munetaka","Synthesis of a Library of Iridium-Containing Dinuclear Complexes with Bridging PNNN and PNNP Ligands (BL), [LM(μ-BL)M‘L‘]BF4. 1. Specific Synthesis of Isomeric Heterodinuclear Complexes with Switched Metal Arrangements","Organometallics","2006","25","6","1344","","10.1021/om050896m","","","0.7107","MoKα","","","0.0907","","","","0.266","","","","","","1.983","","","","has coordinates","243614","2020-10-21","18:00:00",""
"4089347","13.3185","0.0009","13.5907","0.0011","20.569","0.0019","81.075","0.004","88.287","0.005","63.849","0.004","3298.5","0.5","200","2","200","2","","","","","","","","8","P 1","P 1","1","","","","- C60 H60 B2 F8 N4 P2 Pd2 S2 -","- C60 H60 B2 F8 N4 P2 Pd2 S2 -","- C120 H120 B4 F16 N8 P4 Pd4 S4 -","2","2","","Cabeza, Javier A.; del Río, Ignacio; Sánchez-Vega, M. Gabriela; Suárez, Marta","Methyl Levamisolium Triflate as a Precursor to a Chiral Bifunctional N-Heterocyclic Carbene-Thiolate Ligand: Palladium(II) Complexes†","Organometallics","2006","25","7","1831","","10.1021/om060042h","","","1.5418","CuKα","","0.139","0.1281","","","0.3591","0.4123","","","","","","1.017","","","","has coordinates","243615","2020-10-21","18:00:00",""
"4503031","7.815","0.002","10.746","0.003","13.028","0.005","70.845","0.007","72.778","0.004","88.703","0.005","983.8","0.5","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C18.5 H10 N4 O4 Zn -","- C18.47 H10 N3.74 O4 Zn -","- C36.94 H20 N7.48 O8 Zn2 -","2","1","","Mulfort, Karen L.; Wilson, Thea M.; Wasielewski, Michael R.; Hupp, Joseph T.","Framework reduction and alkali-metal doping of a triply catenating metal-organic framework enhances and then diminishes H2 uptake.","Langmuir : the ACS journal of surfaces and colloids","2009","25","1","503","508","10.1021/la803014k","","","0.71073","MoKα","","0.1558","0.1351","","","0.3601","0.3686","","","","","","1.112","","","","has coordinates","176467","2020-10-21","18:00:00",""
"5000021","4.86","0.005","13.91","0.01","16.32","0.01","90","","90","","90","","1103.27","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 N2 O5 -","- C10 H14 N2 O5 -","- C40 H56 N8 O20 -","4","1","","Young, D. W.; Tollin, P.; Wilson, H. R.","The crystal and molecular structure of thymidine","Acta Crystallographica Section B","1969","25","8","1423","1432","10.1107/S056774086900416X","","","","","","","","","","","","","","","","","","","","","has coordinates","175309","2020-10-21","18:00:00",""
"5000028","9.824","0.008","8.879","0.004","11.245","0.004","90","","91.7","0.1","90","","980.44","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C3 Cl6 O3 -","- C3 Cl6 O3 -","- C12 Cl24 O12 -","4","1","","Sørensen, Alex Mehlsen","The Crystal Structure of Bistrichloromethylcarbonate, Triphosgene","Acta Chemica Scandinavica","1971","25","","169","174","10.3891/acta.chem.scand.25-0169","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000063","12.817","0.016","5.628","0.007","11.465","0.015","90","","111.22","0.1","90","","770.94","","","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C6 H8 O7 -","- C6 H8 O7 -","- C24 H32 O28 -","4","1","","Glusker, J. P.; Minkin, J. A.; Patterson, A. L.","X-ray crystal analysis of the substrates of aconitase. IX. A refinement of the structure of anhydrous citric acid","Acta Crystallographica Section B","1969","25","6","1066","1072","10.1107/S0567740869003542","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""
"5000082","7.696","0.005","10.227","0.002","23.688","0.005","90","","90","","90","","1864.41","","","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","tetrahydrocortisol","","","- C21 H34 O5 -","- C21 H34 O5 -","- C84 H136 O20 -","4","1","","Ribár, B.; Vladimirov, S.; Živanov-Stakić, D.; Strumpel, M.","Crystal structure of tetrahydrocortisol","Journal of Chemical Crystallography","1995","25","8","499","503","10.1007/BF01665707","","","","","","","","","","","","","","","","","","","","","has coordinates","187370","2020-10-21","18:00:00",""
"5000131","15.294","0.002","7.732","0.001","12.379","0.001","90","","101.64","0.01","90","","1433.75","","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C5 H6 N4 O S -","- C5 H6 N4 O S -","- C40 H48 N32 O8 S8 -","8","1","","Sletten, E.; Sletten, J.; Jensen, L. H.","The crystal and molecular structure of 6-mercaptopurine monohydrate","Acta Crystallographica Section B","1969","25","7","1330","1338","10.1107/S0567740869004018","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000152","9.543","0.001","8.201","0.001","7.498","","90","","124.25","0.01","90","","485.05","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H5 N3 O4 -","- C H5 N3 O4 -","- C4 H20 N12 O16 -","4","1","","Worsham, Jr, J. E.; Busing, W. R.","The crystal structure of uronium nitrate (urea nitrate) by neutron diffraction","Acta Crystallographica Section B","1969","25","3","572","578","10.1107/S0567740869002573","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000153","4.74","0.01","15.53","0.02","7.19","0.01","90","","122.4","0.1","90","","446.88","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C H6 N4 S -","- C H6 N4 S -","- C4 H24 N16 S4 -","4","1","","Braibanti, A.; Tiripicchio, A.; Camellini, M. T.","Crystal and molecular structure of thiocarbohydrazide","Acta Crystallographica Section B","1969","25","11","2286","2290","10.1107/S0567740869005589","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000157","4.645","0.004","8.407","0.006","6.664","0.007","90","","100","0.08","90","","256.28","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C2 H4 O -","- C2 H4 O -","- C8 H16 O4 -","4","1","","Luger, Peter; Zaki, Chakib; Buschmann, Jürgen; Rudert, Rainer","Ethylene Oxide‒X-Ray Structure Analysis (at 150 K) and ab initio Calculations","Angewandte Chemie, International Edition","1986","25","3","276","277","10.1002/anie.198602761","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"5000184","5.28","0.002","12.972","0.005","16.707","0.007","90","","90","","90","","1144.3","","","","","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 -","- C18 H12 -","- C72 H48 -","4","1","","Collings, Jonathan C.; Roscoe, Karl P.; Thomas, Rhodri Ll.; Batsanov, Andrei S.; Stimson, Lorna M.; Howard, Judith A. K.; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering. Part 3. Single-crystal structures of 1:1 complexes of octafluoronaphthalene with fused-ring polyaromatic hydrocarbons","New Journal of Chemistry","2001","25","11","1410","1417","10.1039/b105502j","","","","","","","","","","","","","","","","","","","","","has coordinates","175430","2020-10-21","18:00:00",""
"6000665","9.7984","","8.2759","","9.6138","","90","","90","","90","","779.59","","","","","","","","","","","","","4","P n n a","","","","","","- B2 H3 Li O5 -","","","","","","Louer, D.; Louer, M.; Touboul, M.","Crystal-structure determination of lithium diborate hydrate, LIB2O3(OH).H2O, from X-ray-powder diffraction data collected with a curved position-sensitive detector","Journal of Applied Crystallography","1992","25","","617","623","10.1107/S0021889892004801","","","","","","","","","","","","","","","","","","","","","","176292","2020-10-21","18:00:00",""
"7051011","13.152","0.002","18.72","0.003","20.918","0.003","90","","99.4","0.02","90","","5081","1.4","120","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C44.5 H27 B4 Cl3 F24 O Ta -","- C44.5 H27 B Cl3 F24 O Ta -","- C178 H108 B4 Cl12 F96 O4 Ta4 -","4","1","","Sabo-Etienne, Sylviane; Rodriguez, Venancio; Donnadieu, Bruno; Chaudret, Bruno; Abou el Makarim, Hassna; Barthelat, Jean-Claude; Ulrich, Stefan; Limbach, Hans-Heinrich; Moïse, Claude","Synthesis, X-ray crystal structure, NMR characterization and theoretical calculations on [Cp2Ta(η2-H2)(CO)]+, the first thermally stable group 5 dihydrogen complex","New Journal of Chemistry","2001","25","1","55","","10.1039/b002073g","","","0.71073","MoK(","","","0.0512","","","0.0623","","","","","0.9868","0.9868","","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051012","10.844","0.002","20.697","0.004","22.722","0.005","91.629","0.013","91.462","0.013","101.89","0.012","4985.7","1.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Bis-(Methyltropp)rhodium-hexafluorophosphate","","","- C58 H49 F6 N P3 Rh -","- C58 H49 F6 N P3 Rh -","- C232 H196 F24 N4 P12 Rh4 -","4","2","","Deblon, Stephan; Rüegger, Heinz; Schönberg, Hartmut; Loss, Sandra; Gramlich, Volker; Grützmacher, Hansjörg","Highly distorted d8-rhodium(+I) and d10-rhodium(-I) complexes: synthesis, reactivity, and structures in solution and solid state","New Journal of Chemistry","2001","25","1","83","","10.1039/b002906h","","","0.71073","MoKα","","0.0706","0.0361","","0.0769","0.0721","","","","0.751","0.964","0.964","","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051013","45.899","0.051","10.159","0.01","19.773","0.019","90","","102.27","0.08","90","","9009","16","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Allyltropp-methyltropp-rhodium","","","- C56.5 H45.5 Cl1.5 P2 Rh -","- C56.5 H45.5 Cl1.5 P2 Rh -","- C452 H364 Cl12 P16 Rh8 -","8","1","","Deblon, Stephan; Rüegger, Heinz; Schönberg, Hartmut; Loss, Sandra; Gramlich, Volker; Grützmacher, Hansjörg","Highly distorted d8-rhodium(+I) and d10-rhodium(-I) complexes: synthesis, reactivity, and structures in solution and solid state","New Journal of Chemistry","2001","25","1","83","","10.1039/b002906h","","","1.54178","CuKα","","0.0605","0.0455","","0.1218","0.1132","","","","1.073","1.122","1.122","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051014","17.293","0.002","9.7528","0.0013","17.6784","0.0006","90","","115.284","0.0009","90","","2695.9","0.5","180.2","","180.2","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H30 N2 O2 P2 Pd -","- C32 H30 N2 O2 P2 Pd -","- C128 H120 N8 O8 P8 Pd4 -","4","1","","Pierre Braunstein; Frédéric Naud; Steven J. Rettig","A new class of anionic phosphinooxazoline ligands in palladium and ruthenium complexes: catalytic properties for the transfer hydrogenation of acetophenone","New J. Chem.","2001","25","1","32","39","10.1039/b004786o","","","0.7107","MoKα","","0.0773","0.0773","","0.0675","","0.0675","","","1.365","","","1.365","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051015","9.743","0.002","13.474","0.007","18.902","0.011","90","","107.08","0.03","90","","2372","2","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","choline tetraphenylborate","","- C29 H34 B N O -","- C29 H34 B N O -","- C116 H136 B4 N4 O4 -","4","1","","Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan","Making very short O‒H···Ph hydrogen bonds: the example of tetraphenylborate salts","New Journal of Chemistry","2001","25","1","174","","10.1039/b004932h","","","0.71073","MoKα","","0.1526","0.0871","","","0.1811","0.2231","","","","","","1.144","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051016","11.2759","0.0006","11.6163","0.0004","13.0526","0.0006","69.066","0.003","70.612","0.002","61.747","0.003","1378.77","0.12","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","triethanolammonium tetraphenylborate dihydrate","","- C30 H40 B N O5 -","- C30 H40 B N O5 -","- C60 H80 B2 N2 O10 -","2","1","","Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan","Making very short O‒H···Ph hydrogen bonds: the example of tetraphenylborate salts","New Journal of Chemistry","2001","25","1","174","","10.1039/b004932h","","","0.71073","MoKα","","0.0692","0.0509","","","0.1121","0.1246","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051017","33.832","0.016","10.11","0.02","17.45","0.04","90","","117.75","0.005","90","","5282","16","125","2","125","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","6-ammonium-n-hexanoic acid tetraphenylborate monohydrate","","- C30 H36 B N O3 -","- C30 H36 B N O3 -","- C240 H288 B8 N8 O24 -","8","1","","Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan","Making very short O‒H···Ph hydrogen bonds: the example of tetraphenylborate salts","New Journal of Chemistry","2001","25","1","174","","10.1039/b004932h","","","0.71073","MoKα","","0.0812","0.0553","","","0.125","0.1408","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051018","7.455","0.003","10.0294","0.0013","10.568","0.005","90","","109.2","0.02","90","","746.2","0.5","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","ferroceneylaspartic acid","","","- C15 H15.668 Fe N O5.334 -","- C15 H15 Fe N O5.334 -","- C30 H30 Fe2 N2 O10.668 -","2","1","","Baker, Murray V.; Kraatz, Heinz-Bernhard; Wilson Quail, J.","Solvent effects on the redox properties of ferrocenoyl-dipeptides","New Journal of Chemistry","2001","25","3","427","","10.1039/b005125j","","","0.71069","MoKα","","0.0296","0.0216","","","0.0544","0.0565","","","","","","1.042","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7051019","8.892","0.001","8.892","0.001","8.892","0.001","65.63","0.017","65.63","0.017","65.63","0.017","557.92","0.15","293","2","293","2","","","","","","","","6","R -3 :R","-P 3*","148","K[Re6Se5Cl9](H2O)2","potassium penta-μ~eq~3-seleno-tri-μ~eq~3-chloro- hexachloro-octahedro-hexarhenate(III) dihydrate","","- Cl9 H4 K O2 Re6 Se5 -","- Cl8.9 K O2 Re6 Se5.078 -","- Cl8.9 K O2 Re6 Se5.078 -","1","0.166667","","Santiago Uriel; Kamal Boubekeur; Patrick Batail; Jesus Orduna; André Perrin","Inertness of the [Re6Se5Cl3]5+ cluster core to substitution by OH− in organic solutions: synthesis, structural and liquid secondary ion mass spectroscopy characterization of K(H2O)2[Re6Se5Cl9] and (n-Bu4N)[Re6Se5Cl9] and the crystal structure of (n-Bu4N)2[Re6Se6Cl8]","New J. Chem.","2001","25","5","737","740","10.1039/b005231k","","","0.71073","MoKα","","0.0577","0.0401","","","0.0489","0.0558","","","","","","0.872","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051020","10.775","0.002","17.101","0.003","10.602","0.002","100.83","0.03","99.62","0.03","87.51","0.03","1891.6","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(nBu4N)[Re6Se5Cl9]","tetra-n-butylammonium penta-μ~eq~3-seleno-tri-μ~eq~3-chloro- hexachloro-octahedro-hexarhenate(III)","","- C16 H36 Cl9 N Re6 Se5 -","- C16 H36 Cl9.05 N Re6 Se4.95 -","- C32 H72 Cl18.1 N2 Re12 Se9.9 -","2","1","","Santiago Uriel; Kamal Boubekeur; Patrick Batail; Jesus Orduna; André Perrin","Inertness of the [Re6Se5Cl3]5+ cluster core to substitution by OH− in organic solutions: synthesis, structural and liquid secondary ion mass spectroscopy characterization of K(H2O)2[Re6Se5Cl9] and (n-Bu4N)[Re6Se5Cl9] and the crystal structure of (n-Bu4N)2[Re6Se6Cl8]","New J. Chem.","2001","25","5","737","740","10.1039/b005231k","","","0.71073","MoKα","","0.1","0.0345","","0.1545","","0.1295","","","1.188","","","1.311","","","","has coordinates,has disorder","180064","2020-10-21","18:00:00",""
"7051021","12.833","0.003","11.588","0.002","18.563","0.004","90","","90.04","0.03","90","","2760.5","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","(nBu4N)2[Re6Se6Cl8]","bis-tetra-n-butylammonium hexa-μ~eq~3-seleno-di-μ~eq~3-chloro- hexachloro-octahedro-hexarhenate(III)","","- C32 H72 Cl8 N2 Re6 Se6 -","- C32 H72 Cl8.14 N2 Re6 Se5.848 -","- C64 H144 Cl16.28 N4 Re12 Se11.696 -","2","0.5","","Santiago Uriel; Kamal Boubekeur; Patrick Batail; Jesus Orduna; André Perrin","Inertness of the [Re6Se5Cl3]5+ cluster core to substitution by OH− in organic solutions: synthesis, structural and liquid secondary ion mass spectroscopy characterization of K(H2O)2[Re6Se5Cl9] and (n-Bu4N)[Re6Se5Cl9] and the crystal structure of (n-Bu4N)2[Re6Se6Cl8]","New J. Chem.","2001","25","5","737","740","10.1039/b005231k","","","0.71073","MoKα","","0.1272","0.0539","","","0.1588","0.1885","","","","","","1.201","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051022","8.4308","0.0004","10.5457","0.0005","15.6538","0.0008","90","","90","","90","","1391.76","0.12","200","","","","","","","","","","Local laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O6 -","- C13 H20 O6 -","- C52 H80 O24 -","4","1","","Banwell, Martin G.; Bray, Andrew M.; Edwards, Alison J.; Wong, David J.","Chemoenzymatic synthesis of the epimeric 6C-methyl-D-mannoses from toluene","New Journal of Chemistry","2001","25","1","3","","10.1039/b005312k","","","0.71073","MoKα","","","0.049","","","","0.0224","","","","","","0.9997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051023","6.9393","0.0005","10.5584","0.0008","19.7333","0.0008","90","","90","","90","","1445.82","0.16","200","","","","","","","","","","Local laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H22 O6 -","- C13 H22 O6 -","- C52 H88 O24 -","4","1","","Banwell, Martin G.; Bray, Andrew M.; Edwards, Alison J.; Wong, David J.","Chemoenzymatic synthesis of the epimeric 6C-methyl-D-mannoses from toluene","New Journal of Chemistry","2001","25","1","3","","10.1039/b005312k","","","0.71073","MoKα","","","0.0397","","","","0.0463","","","","","","0.9641","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051024","6.5102","0.0002","8.9104","0.0004","23.7859","0.0009","90","","90","","90","","1379.78","0.09","200","","","","","","","","","","Local laboratory","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O6 -","- C13 H20 O6 -","- C52 H80 O24 -","4","1","","Banwell, Martin G.; Bray, Andrew M.; Edwards, Alison J.; Wong, David J.","Chemoenzymatic synthesis of the epimeric 6C-methyl-D-mannoses from toluene","New Journal of Chemistry","2001","25","1","3","","10.1039/b005312k","","","0.71073","MoKα","","","0.0307","","","","0.0204","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051025","9.612","0.009","15.884","0.015","15.884","0.015","105.35","0.02","92.65","0.03","92.65","0.03","2332","4","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H46 N8 O4 Zn -","- C47.5 H36 N8 O4 Zn -","- C95 H72 N16 O8 Zn2 -","2","1","","Che, Chi-Ming; Wan, Chun-Wai; Ho, Kin-Ying; Zhou, Zhong-Yun","Strongly luminescent metal‒organic compounds: spectroscopic properties and crystal structure of substituted 1,8-naphthyridine and its zinc(II) complex","New Journal of Chemistry","2001","25","1","63","","10.1039/b005644h","","","0.71073","MoKα","","0.3155","0.0851","","","0.2129","0.3072","","","","","","0.818","","","","has coordinates,has disorder","180064","2020-10-21","18:00:00",""
"7051026","6.632","0.002","19.859","0.002","34.049","0.004","90","","90","","90","","4484.4","1.5","293","2","293","2","","","","","","","","4","P b c 21","P 2c -2b","29","","4-phenil-4-(N-ciclohexyl)imidoyl-6-(4-methylphenyl)- 2-methoxi-3,4-dihydropyridin","","- C26 H30 N2 O -","- C26 H30 N2 O -","- C208 H240 N16 O8 -","8","2","","José Barluenga; Miguel Tomás; Alfredo Ballesteros; Javier Santamaría; Raúl Corzo-Suárez; Santiago García-Granda","Reaction of Fischer alkynylcarbene complexes with 1-azadiene derivatives: unexpected formation of 3,4-dihydropyridines","New J. Chem.","2001","25","1","8","10","10.1039/b005648k","","","0.71073","MoKα","","0.245","0.0591","","","0.1485","0.2829","","","1.029","","","1.306","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051027","6.486","0.004","12.445","0.001","18.327","0.002","90","","90","","90","","1479.3","0.9","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S)-4-Benzyl-3-(4,5-dimethyl-3-pyrazolyl)-1,3-oxazolidin-2-one","","- C15 H17 N3 O2 -","- C15 H17 N3 O2 -","- C60 H68 N12 O8 -","4","1","","Marcial Moreno-Mañas; Rosa M. Sebastián; Adelina Vallribera; Juan F. Piniella; Angel Álvarez-Larena; María Luisa Jimeno; José Elguero","Structure of chiral pyrazoles in the solid state and in solution","New J. Chem.","2001","25","2","329","335","10.1039/b005920j","","","0.71069","MoKα","","0.0479","0.0414","","","0.111","0.113","","","","","","1.009","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051028","6.601","0.009","14.743","0.004","18.895","0.009","90","","90","","90","","1839","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(4S)-4-Benzyl-3-(4-benzyl-5-methyl-3-pyrazolyl)-1,3-oxazolidin-2-one","","- C21 H21 N3 O2 -","- C21 H21 N3 O2 -","- C84 H84 N12 O8 -","4","1","","Marcial Moreno-Mañas; Rosa M. Sebastián; Adelina Vallribera; Juan F. Piniella; Angel Álvarez-Larena; María Luisa Jimeno; José Elguero","Structure of chiral pyrazoles in the solid state and in solution","New J. Chem.","2001","25","2","329","335","10.1039/b005920j","","","0.71069","MoKα","","0.08","0.0463","","","0.0984","0.1022","","","","","","0.886","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051029","9.309","0.002","12.306","0.004","13.322","0.003","90","","104.8","0.02","90","","1475.5","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(2R)-N-(5-methyl-3-pyrazolyl)bornane-10,2-sultam","","- C14 H21 N3 O2 S -","- C14 H21 N3 O2 S -","- C56 H84 N12 O8 S4 -","4","2","","Marcial Moreno-Mañas; Rosa M. Sebastián; Adelina Vallribera; Juan F. Piniella; Angel Álvarez-Larena; María Luisa Jimeno; José Elguero","Structure of chiral pyrazoles in the solid state and in solution","New J. Chem.","2001","25","2","329","335","10.1039/b005920j","","","0.71069","MoKα","","0.033","0.0301","","","0.0816","0.0823","","","","","","1.049","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051030","16.795","0.003","12.09","0.003","17.268","0.002","90","","116.549","0.012","90","","3136.6","1.1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H29 Cl4 N O3 P Pd -","- C30 H29 Cl4 N O3 P Pd -","- C120 H116 Cl16 N4 O12 P4 Pd4 -","4","1","","Carlos Cativiela; Larry R. Falvello; Juan Carlos Ginés; Rafael Navarro; Esteban P. Urriolabeitia","Synthesis, structure and reactivity of PdII complexes with the terdentate imino alcohol ligand C6H3-3,4-(OMe)2‒C(H)NCH2CH2OH","New J. Chem.","2001","25","2","344","352","10.1039/b006140i","","","0.71073","MoKα","","0.0448","0.034","","","0.0826","0.0864","","","","","","1.032","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051031","23.732","0.002","8.039","0.002","14.922","0.002","90","","90","","90","","2846.8","0.8","293","2","293","2","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C29 H29 Cl N O7 P Pd -","- C29 H29 Cl N O7 P Pd -","- C116 H116 Cl4 N4 O28 P4 Pd4 -","4","1","","Carlos Cativiela; Larry R. Falvello; Juan Carlos Ginés; Rafael Navarro; Esteban P. Urriolabeitia","Synthesis, structure and reactivity of PdII complexes with the terdentate imino alcohol ligand C6H3-3,4-(OMe)2‒C(H)NCH2CH2OH","New J. Chem.","2001","25","2","344","352","10.1039/b006140i","","","0.71073","MoKα","","0.0927","0.0506","","","0.1054","0.117","","","","","","0.963","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051032","16.504","0.007","7.561","0.005","12.142","0.003","90","","92.54","0.02","90","","1513.7","1.2","130","2","130","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H26 Cl O3 P -","- C13 H26 Cl O3 P -","- C52 H104 Cl4 O12 P4 -","4","1","","Berrigan, Rebecca A.; Russell, Douglas K.; Henderson, William; Leach, Meto T.; Nicholson, Brian K.; Woodward, Gary; Harris, Christopher","Camphene-derived primary and hydroxymethyl phosphines","New Journal of Chemistry","2001","25","2","322","","10.1039/b006252i","","","0.71073","MoKα","","0.0927","0.0467","","0.11","0.0936","","","","1.023","1.104","1.104","","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051033","11.344","0.01","12.614","0.016","9.846","0.013","112.43","0.1","96.62","0.1","98.5","0.09","1265","3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","nickelbis(triethylphosphine)(eta2‒1,2-octafluoronaphthalene)","","- C22 H30 F8 Ni P2 -","- C22 H30 F8 Ni P2 -","- C44 H60 F16 Ni2 P4 -","2","1","","Braun, Thomas; Cronin, Leroy; Higgitt, Catherine L.; McGrady, John E.; Perutz, Robin N.; Reinhold, Meike","Coordination and oxidative addition of octafluoronaphthalene at a nickel centre: isolation of an intermediate in C‒F bond activation","New Journal of Chemistry","2001","25","1","19","","10.1039/b006368l","","","0.71069","MoKα","","0.0857","0.0442","","0.1334","","0.1114","","","1.014","","","1.04","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051035","20.712","0.004","14.805","0.003","21.362","0.004","90","","111.5","0.03","90","","6095","2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C56 H94 N4 O11 W2 -","- C56 H84 N4 O11 W2 -","- C224 H336 N16 O44 W8 -","4","1","","Wong, Yee-Lok; Yang, Qingchuan; Zhou, Zhong-Yuan; Kay Lee, Hung; Mak, Thomas C. W.; Ng, Dennis K. P.","Synthesis, structure and oxo-transfer properties of dioxotungsten(VI) complexes with pyridine-based NO-and NS-bidentate ligands","New Journal of Chemistry","2001","25","2","353","","10.1039/b006979p","","","0.71073","MoKα","","0.0536","0.0468","","","0.1264","0.1336","","","","","","0.894","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051036","13.467","0.003","24.756","0.005","11.723","0.002","90","","100.04","0.03","90","","3848.5","1.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 N4 O6 W -","- C42 H28 N4 O6 W -","- C168 H112 N16 O24 W4 -","4","1","","Wong, Yee-Lok; Yang, Qingchuan; Zhou, Zhong-Yuan; Kay Lee, Hung; Mak, Thomas C. W.; Ng, Dennis K. P.","Synthesis, structure and oxo-transfer properties of dioxotungsten(VI) complexes with pyridine-based NO-and NS-bidentate ligands","New Journal of Chemistry","2001","25","2","353","","10.1039/b006979p","","","0.71073","MoKα","","0.0777","0.0531","","0.1639","0.1487","","","","1.058","1.056","1.056","","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051037","17.66","0.003","16.118","0.001","19.974","0.003","90","","106.76","0.003","90","","5444","1.3","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C53.5 H63.5 N2.5 O4.5 W -","- C53.5 H63.5 N2.5 O4.5 W -","- C214 H254 N10 O18 W4 -","4","1","","Wong, Yee-Lok; Yang, Qingchuan; Zhou, Zhong-Yuan; Kay Lee, Hung; Mak, Thomas C. W.; Ng, Dennis K. P.","Synthesis, structure and oxo-transfer properties of dioxotungsten(VI) complexes with pyridine-based NO-and NS-bidentate ligands","New Journal of Chemistry","2001","25","2","353","","10.1039/b006979p","","","0.71073","MoKα","","0.1285","0.0845","","","0.1741","0.1951","","","","","","1.17","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051038","24.684","0.004","15.202","0.002","25.368","0.004","90","","97.78","0.003","90","","9432","2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H68 Fe N18 Ni2 O8 -","- C30 H44 Fe N18 Ni2 O8 -","- C240 H352 Fe8 N144 Ni16 O64 -","8","1","","Lu, Tongbu; Xiang, Hua; Su, Chengyong; Cheng, Peng; Mao, Zongwan; Ji, Liangnian","[NiL]2[Fe(CN)6]·4H2O [L = 3,10-bis(2-hydroxyethyl)-1,3,5,8,10,12-hexaazacyclotetradecane]: a novel three-dimensional iron(II)‒nickel(II) cyanide-bridged bimetallic assembly with a vat-like structure","New Journal of Chemistry","2001","25","2","216","","10.1039/b007406n","","","0.71073","MoKα","","0.1235","0.0789","","","0.1783","0.2047","","","","","","1.035","","","","has coordinates,has disorder","180064","2020-10-21","18:00:00",""
"7051039","39.72","0.04","10.198","0.013","24.59","0.03","90","","123.777","0.01","90","","8279","17","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C45 H40 Cl Cu N2 O4 P2 -","- C45 H40 Cl Cu N2 O4 P2 -","- C360 H320 Cl8 Cu8 N16 O32 P16 -","8","1","","Hati, Sanchita; Patra, Goutam K.; Naskar, Jnan P.; Drew, Michael G. B.; Datta, Dipankar","First structurally characterised metal complex of a 2H-benzimidazole derivative. Copper mediated synthesis of 2,2-dimethyl-2H-benzimidazole from 1,2-phenylenediamine and acetone","New Journal of Chemistry","2001","25","2","218","","10.1039/b007410l","","","0.71073","MoKα","","0.0907","0.0599","","","0.1591","0.1775","","","","","","1.084","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051040","18.0285","0.0013","10.6208","0.0007","7.7084","0.0005","90","","98.223","0.002","90","","1460.81","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 Fe N O2 -","- C18 H15 Fe N O2 -","- C72 H60 Fe4 N4 O8 -","4","1","","Jose A. Mata; Eduardo Peris; Inge Asselberghs; Roel Van Boxel; André Persoons","Syntheses, characterization and second-order nonlinear optical behavior of new ferrocenyl-terminated phenylethenyl oligomers with a pendant nitro group","New J. Chem.","2001","25","2","299","304","10.1039/b007411j","","","0.71073","MoKα","","0.0591","0.0306","","","0.0679","0.0833","","","","","","0.946","","","","has coordinates","192781","2020-10-21","18:00:00",""
"7051041","16.1351","0.0007","16.3746","0.0006","19.6653","0.0007","109.763","0.003","93.411","0.003","90.83","0.003","4877.7","0.3","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C114 H90 Cl4 N8 Ni2 O4 -","- C114 H82 Cl4 N8 Ni2 O4 -","- C228 H164 Cl8 N16 Ni4 O8 -","2","1","","François Jérôme; Jean-Michel Barbe; Claude P. Gros; Roger Guilard; Jean Fischer; Raymond Weiss","Peculiar reactivity of face to face biscorrole and porphyrin‒corrole with a nickel(II) salt. X-Ray structural characterization of a new nickel(II) bisoxocorrole","New J. Chem.","2001","25","1","93","101","10.1039/b007623f","","","0.71073","Mo-Kα","","0.121","0.073","","0.137","","0.107","","","1.348","","","1.04","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051042","8.8875","0.0009","11.9248","0.0012","26.99","0.003","91.405","0.011","94.482","0.011","99.522","0.011","2810.4","0.5","180","2","180","2","","","","","","","synthesized as described","5","P -1","-P 1","2","","","","- C60 H68 I2 N4 O11 -","- C60 H68 I2 N4 O11 -","- C120 H136 I4 N8 O22 -","2","1","","Lacroix, Pascal G.; Lepetit, Christine; Claude Daran, Jean","Switching nonlinear optical properties by proton transfer in hydrogen-bonded merocyanine dyes: a theoretical investigation at the semi-empirical level","New Journal of Chemistry","2001","25","3","451","","10.1039/b007726g","","","0.71073","MoKα","","","0.0282","","","","0.0329","","","","","","0.9349","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051043","13.1025","0.0001","13.5227","0.0001","16.4607","0.0001","94.579","0.001","102.822","0.001","105.621","0.001","2708.33","0.04","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H42 B4 F16 N10 Ru -","- C52 H42 B4 F16 N10 Ru -","- C104 H84 B8 F32 N20 Ru2 -","2","1","","Benniston, Andrew C.; Mackie, Philip R.; Farrugia, Louis J.; Smith, Graeme; Teat, Simon J.; McLean, Andrew J.","Detailed photophysical properties of a functionalized ruthenium(II) polypyridyl complex: through-space solvent effects","New Journal of Chemistry","2001","25","3","458","","10.1039/b007962f","","","0.6849","synchrotron","","0.0772","0.0595","","","0.1555","0.1643","","","","","","0.984","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051044","6.3652","0.0009","35.256","0.011","7.6591","0.0017","90","","108.033","0.017","90","","1634.4","0.7","160","2","160","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 F12 N6 P2 -","- C32 H26 F12 N6 P2 -","- C64 H52 F24 N12 P4 -","2","0.5","","Benniston, Andrew C.; Mackie, Philip R.; Farrugia, Louis J.; Smith, Graeme; Teat, Simon J.; McLean, Andrew J.","Detailed photophysical properties of a functionalized ruthenium(II) polypyridyl complex: through-space solvent effects","New Journal of Chemistry","2001","25","3","458","","10.1039/b007962f","","","0.6875","synchrotron","","0.173","0.0973","","","0.1556","0.1812","","","","","","1.068","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051045","7.4721","0.001","7.531","0.001","11.0761","0.0009","93.4149","0.0008","102.042","0.001","100.486","0.001","596.29","0.12","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H40 N6 Ni O4 -","- C16 H40 N6 Ni O4 -","- C16 H40 N6 Ni O4 -","1","0.5","","Rahaman Laskar, Inamur; Das, Debasis; Mostafa, Golam; Lu, Tian-Huey; Keng, Tai-Chiun; Wang, Ju-Chun; Ghosh, Ashutosh; Ray Chaudhuri, Nirmalendu","First report on thermally induced nitro→nitrito(O,O) linkage isomerization in diamine complexes of nickel(II) in the solid state: X-ray single crystal structural analyses of nitro and nitrito isomers","New Journal of Chemistry","2001","25","5","764","","10.1039/b008254f","","","0.71073","MoKα","","0.082","0.0803","","0.2157","0.2134","","","","1.094","1.115","1.115","","","","","has coordinates,has disorder","180064","2020-10-21","18:00:00",""
"7051046","10.283","0.0009","19.467","0.002","12.124","0.002","90","","95.4","0.01","90","","2416.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 N6 Ni O4 -","- C16 H40 N6 Ni O4 -","- C64 H160 N24 Ni4 O16 -","4","1","","Rahaman Laskar, Inamur; Das, Debasis; Mostafa, Golam; Lu, Tian-Huey; Keng, Tai-Chiun; Wang, Ju-Chun; Ghosh, Ashutosh; Ray Chaudhuri, Nirmalendu","First report on thermally induced nitro→nitrito(O,O) linkage isomerization in diamine complexes of nickel(II) in the solid state: X-ray single crystal structural analyses of nitro and nitrito isomers","New Journal of Chemistry","2001","25","5","764","","10.1039/b008254f","","","0.71073","MoKα","","0.1082","0.0521","","0.1372","0.1086","","","","1.006","1.048","1.048","","","","","has coordinates,has disorder","180064","2020-10-21","18:00:00",""
"7051047","10.3131","0.0007","19.2548","0.0012","12.0523","0.0008","90","","96.47","0.01","90","","2378.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H40 N6 Ni O4 -","- C16 H40 N6 Ni O4 -","- C64 H160 N24 Ni4 O16 -","4","1","","Rahaman Laskar, Inamur; Das, Debasis; Mostafa, Golam; Lu, Tian-Huey; Keng, Tai-Chiun; Wang, Ju-Chun; Ghosh, Ashutosh; Ray Chaudhuri, Nirmalendu","First report on thermally induced nitro→nitrito(O,O) linkage isomerization in diamine complexes of nickel(II) in the solid state: X-ray single crystal structural analyses of nitro and nitrito isomers","New Journal of Chemistry","2001","25","5","764","","10.1039/b008254f","","","0.71073","MoKα","","0.0423","0.0404","","0.1095","0.1069","","","","1.05","1.049","1.049","","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051049","15.669","0.001","15.669","0.001","11.4392","0.0004","90","","90","","90","","2808.5","0.3","294","","294","","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C60 H60 N4 -","- C60 H60 N4 -","- C120 H120 N8 -","2","0.25","","Cédric Klein; Ernest Graf; Mir Wais Hosseini; André De Cian","Design and structural analysis of interpenetrated 3-D co-ordination networks formed by self-assembly using tetrapyridinoocyclophane and silver cations","New J. Chem.","2001","25","2","207","209","10.1039/b008259g","","","0.71073","Mo-Kα","","0.15","0.084","","0.302","","0.119","","","2.938","","","1.128","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7051050","24.4478","0.0004","24.4478","0.0004","68.74","0.001","90","","90","","90","","41085.5","1.1","173","","173","","","","","","","","","8","I 41/a c d :2","-I 4bd 2c","142","","","","- C36 H44 Ag Cl2 F6 N2 O5 P -","- C35.75 H30 Ag Cl2 F6 N2 O5 P -","- C1144 H960 Ag32 Cl64 F192 N64 O160 P32 -","32","1","","Cédric Klein; Ernest Graf; Mir Wais Hosseini; André De Cian","Design and structural analysis of interpenetrated 3-D co-ordination networks formed by self-assembly using tetrapyridinoocyclophane and silver cations","New J. Chem.","2001","25","2","207","209","10.1039/b008259g","","","0.71073","Mo-Kα","","0.291","0.134","","0.798","","0.173","","","25.92","","","1.179","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051057","13.612","0.002","15.789","0.004","10.172","0.004","100.5","0.03","102.23","0.02","97.16","0.02","2070.2","1.1","298.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H41.5 Ag3 Cl3 N8.5 O12 -","- C31 H40 Ag3 Cl3 N8.5 O12 -","- C62 H80 Ag6 Cl6 N17 O24 -","2","1","","Fei, Bao-Li; Sun, Wei-Yin; Okamura, Taka-aki; Tang, Wen-Xia; Ueyama, Norikazu","Synthesis and crystal structure of a luminescent infinite 2D brick-wall network with two- and three-coordinate silver(I) atoms and ligand-unsupported silver‒silver interactions","New Journal of Chemistry","2001","25","2","210","","10.1039/b008266j","","","0.7107","MoKα","","","0.0421","","","","0.1517","","","","","","1.063","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051058","8.7139","0.0004","12.6362","0.0005","16.8896","0.0007","81.778","0.001","80.395","0.001","78.851","0.001","1787.22","0.13","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H29 Cl2 N7 O10 Ru -","- C36 H29 Cl2 N7 O10 Ru -","- C72 H58 Cl4 N14 O20 Ru2 -","2","1","","Rice, Craig R.; Guerrero, Ana; Bell, Zöe R.; Paul, Rowena L.; Motson, Graham R.; Jeffery, John C.; Ward, Michael D.","New hybrid ditopic ligands containing fused phenanthroline and crown ether units","New Journal of Chemistry","2001","25","2","185","","10.1039/b008378j","","","0.71073","MoKα","","0.0451","0.0356","","","0.0888","0.0932","","","","","","1.028","","","","has coordinates,has disorder","180064","2020-10-21","18:00:00",""
"7051059","11.83","0.004","13.271","0.005","17.791","0.006","97.664","0.006","92.213","0.006","115.897","0.006","2475.4","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H46 Cl2 N10 O12 Ru -","- C47 H34 Cl2 N9 O12 Ru -","- C94 H68 Cl4 N18 O24 Ru2 -","2","1","","Rice, Craig R.; Guerrero, Ana; Bell, Zöe R.; Paul, Rowena L.; Motson, Graham R.; Jeffery, John C.; Ward, Michael D.","New hybrid ditopic ligands containing fused phenanthroline and crown ether units","New Journal of Chemistry","2001","25","2","185","","10.1039/b008378j","","","0.71073","MoKα","","0.1009","0.0525","","","0.1149","0.1252","","","","","","0.894","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051060","12.748","0.004","13.181","0.004","13.847","0.004","90","0.03","107.04","0.03","90","0.02","2224.6","1.2","173","2","173","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C44 H45 Cl2 F0 N7 Na0 O14 P0 Ru -","- C44 H45 Cl2 N7 O14 Ru -","- C88 H90 Cl4 N14 O28 Ru2 -","2","1","","Rice, Craig R.; Guerrero, Ana; Bell, Zöe R.; Paul, Rowena L.; Motson, Graham R.; Jeffery, John C.; Ward, Michael D.","New hybrid ditopic ligands containing fused phenanthroline and crown ether units","New Journal of Chemistry","2001","25","2","185","","10.1039/b008378j","","","0.71073","MoKα","","0.0795","0.055","","","0.1326","0.1469","","","","","","1.025","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051061","12.485","0.002","13.085","0.004","17.988","0.004","71.249","0.014","76.915","0.016","82.05","0.02","2703.6","1.1","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C48 H50 Cl3 Li N10 O17 Ru -","- C48 H47 Cl3 Li N10 O17 Ru -","- C96 H94 Cl6 Li2 N20 O34 Ru2 -","2","1","","Rice, Craig R.; Guerrero, Ana; Bell, Zöe R.; Paul, Rowena L.; Motson, Graham R.; Jeffery, John C.; Ward, Michael D.","New hybrid ditopic ligands containing fused phenanthroline and crown ether units","New Journal of Chemistry","2001","25","2","185","","10.1039/b008378j","","","0.71073","MoKα","","0.0977","0.0633","","","0.1769","0.1932","","","","","","0.985","","","","has coordinates,has disorder","180064","2020-10-21","18:00:00",""
"7051064","9.593","0.002","10.825","0.002","19.936","0.004","89.54","0.03","80.41","0.03","68.45","0.03","1895.4","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H30 Au2 P2 Se4 W -","- C36 H31 Au2 P2 Se4 W -","- C72 H62 Au4 P4 Se8 W2 -","2","1","","Zhang, Qian-Feng; Leung, Wa-Hung; Song, Ying-Lin; Hong, Mao-Chun; Kennard, Colin H. L.; Xin, Xin-Quan","Skeleton atomic effect on nonlinear optical properties of linear trinuclear heteroselenometallic compounds with univalent coinage metals","New Journal of Chemistry","2001","25","3","465","","10.1039/b008466m","","","0.71073","MoKα","","0.0713","0.0656","","0.1452","0.1213","","","","1.008","1.085","1.085","","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051065","17.921","0.007","17.472","0.003","18.196","0.007","90","","95.86","0.02","90","","5668","3","293","2","293","2","","","","","","","","7","P 1 21/a 1","-P 2yab","14","","","","- C54.5 H45 Ag2 Cl P3 Se4 W -","- C54.5 H45 Ag2 Cl P3 Se4 W -","- C218 H180 Ag8 Cl4 P12 Se16 W4 -","4","1","","Zhang, Qian-Feng; Leung, Wa-Hung; Song, Ying-Lin; Hong, Mao-Chun; Kennard, Colin H. L.; Xin, Xin-Quan","Skeleton atomic effect on nonlinear optical properties of linear trinuclear heteroselenometallic compounds with univalent coinage metals","New Journal of Chemistry","2001","25","3","465","","10.1039/b008466m","","","0.71069","MoKα","","0.0921","0.0507","","0.1614","0.112","","","","0.998","1.152","1.152","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051066","12.183","0.0006","12.955","0.0006","14.3375","0.0007","85.988","0.001","89.019","0.001","68.267","0.001","2096.81","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H51 N4 O24 P5 Zn4 -","- C16 H11 N4 O24 P5 Zn4 -","- C32 H22 N8 O48 P10 Zn8 -","2","1","","Ayi, Ayi A.; Choudhury, Amitava; Natarajan, Srinivasan; Rao, C. N. R.","Cyclic acetate dimers formed by C‒H···O hydrogen bonds in an open-framework zinc phosphate-acetate","New Journal of Chemistry","2001","25","2","213","","10.1039/b008498k","","","0.71073","MoKα","","0.0971","0.0661","","0.187","0.1684","","","","0.978","1.088","1.088","","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051067","13.334","0.0012","5.8545","0.0005","21.617","0.002","90","","90.761","0.002","90","","1687.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 Cl N2 P -","- C18 H16 Cl N2 P -","- C72 H64 Cl4 N8 P4 -","4","1","","Coles, Simon J.; Durran, Sean E.; Hursthouse, Michael B.; Slawin, Alexandra M. Z.; Smith, Martin B.","Late transition metal complexes of a new P-N ligand Ph~2~PCH~2~N(H)C~5~H~3~(Cl-5)N: synthesis and structural studies","New Journal of Chemistry","2001","25","3","416","422","10.1039/b008502m","","","0.71073","MoKα","","0.1537","0.0881","","0.3183","0.1656","","","","1.142","1.197","1.197","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051068","9.849","0.003","11.647","0.003","9.054","0.002","109.31","0.02","95.75","0.03","102.41","0.03","940.6","0.5","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Au Cl2 N2 P -","- C18 H16 Au Cl2 N2 P -","- C36 H32 Au2 Cl4 N4 P2 -","2","1","","Coles, Simon J.; Durran, Sean E.; Hursthouse, Michael B.; Slawin, Alexandra M. Z.; Smith, Martin B.","Late transition metal complexes of a new P-N ligand Ph~2~PCH~2~N(H)C~5~H~3~(Cl-5)N: synthesis and structural studies","New Journal of Chemistry","2001","25","3","416","422","10.1039/b008502m","","","0.7107","MoKα","","0.0258","0.0258","","0.0245","","0.0245","","","1.349","","","1.349","","","","has coordinates","191941","2020-10-21","18:00:00",""
"7051069","11.944","0.003","14.623","0.002","16.14","0.002","90","","91.36","0.02","90","","2818.1","0.9","293.2","","293.2","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 Cl2 N3 P Pd -","- C30 H28 Cl2 N3 P Pd -","- C120 H112 Cl8 N12 P4 Pd4 -","4","1","","Coles, Simon J.; Durran, Sean E.; Hursthouse, Michael B.; Slawin, Alexandra M. Z.; Smith, Martin B.","Late transition metal complexes of a new P-N ligand Ph~2~PCH~2~N(H)C~5~H~3~(Cl-5)N: synthesis and structural studies","New Journal of Chemistry","2001","25","3","416","422","10.1039/b008502m","","","0.7107","MoKα","","0.0369","0.0369","","0.0481","","0.0481","","","1.438","","","1.438","","","","has coordinates","191941","2020-10-21","18:00:00",""
"7051070","9.226","0.002","12.365","0.006","8.559","0.004","98.9","0.04","107.85","0.02","106.17","0.03","861.3","0.6","293.2","","293.2","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cl N2 O P -","- C18 H16 Cl N2 O P -","- C36 H32 Cl2 N4 O2 P2 -","2","1","","Coles, Simon J.; Durran, Sean E.; Hursthouse, Michael B.; Slawin, Alexandra M. Z.; Smith, Martin B.","Late transition metal complexes of a new P-N ligand Ph~2~PCH~2~N(H)C~5~H~3~(Cl-5)N: synthesis and structural studies","New Journal of Chemistry","2001","25","3","416","422","10.1039/b008502m","","","0.7107","MoKα","","0.0342","0.0342","","0.0332","","0.0332","","","2.399","","","2.399","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051071","12.8214","0.0001","18.0482","0.0002","17.5951","0.0002","90","","93.954","0.0005","90","","4061.87","0.07","150","2","150","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C36 H32 B2 Cl2 F8 N4 P2 Pt -","- C36 H32 B2 Cl2 F8 N4 P2 Pt -","- C144 H128 B8 Cl8 F32 N16 P8 Pt4 -","4","1","","Coles, Simon J.; Durran, Sean E.; Hursthouse, Michael B.; Slawin, Alexandra M. Z.; Smith, Martin B.","Late transition metal complexes of a new P-N ligand Ph~2~PCH~2~N(H)C~5~H~3~(Cl-5)N: synthesis and structural studies","New Journal of Chemistry","2001","25","3","416","422","10.1039/b008502m","","","0.71073","MoKα","","0.0534","0.043","","","0.1176","0.1251","","","","","","0.958","","","","has coordinates","191941","2020-10-21","18:00:00",""
"7051072","8.0095","0.0019","17.599","0.003","8.826","0.002","90","","105.42","0.03","90","","1199.3","0.5","213","2","213","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Eastmond, Geoffrey C.; Gilchrist, Thomas L.; Paprotny, Jerzy; Steiner, Alexander","Cyano-activated fluoro displacement reactions in the synthesis of cyanophenoxazines and related compounds","New Journal of Chemistry","2001","25","3","385","","10.1039/b008503k","","","0.71073","MoKα","","0.1225","0.0651","","","0.169","0.194","","","","","","0.918","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051073","8.6688","0.0013","9.4019","0.001","19.222","0.002","90","","90","","90","","1566.7","0.3","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Eastmond, Geoffrey C.; Paprotny, Jerzy; Steiner, Alexander; Swanson, Linda","Synthesis of cyanodibenzo[1,4]dioxines and their derivatives by cyano-activated fluoro displacement reactions","New Journal of Chemistry","2001","25","3","379","","10.1039/b008508l","","","0.71073","MoKα","","0.0407","0.0322","","","0.0712","0.0735","","","","","","0.982","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051074","34.48","0.09","8.96","0.02","17.67","0.03","90","","96.82","0.09","90","","5420","2","","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H36 F3 P2 Rh -","- C27 H36 F3 P2 Rh -","- C216 H288 F24 P16 Rh8 -","8","1","","Herber, Ulrich; Guerrero Sanchez, Rita; Gevert, Olaf; Laubender, Matthias; Werner, Helmut","PX3-induced migratory insertion reactions of half-sandwich-type carbenerhodium(I) complexes","New Journal of Chemistry","2001","25","3","396","","10.1039/b008601k","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051075","10.17","0.003","11.177","0.002","17.401","0.003","85.68","0.01","84.78","0.02","88.03","0.02","1963.4","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C45 H51 O3 P2 Rh -","- C45 H51 O3 P2 Rh -","- C90 H102 O6 P4 Rh2 -","2","1","","Herber, Ulrich; Guerrero Sanchez, Rita; Gevert, Olaf; Laubender, Matthias; Werner, Helmut","PX3-induced migratory insertion reactions of half-sandwich-type carbenerhodium(I) complexes","New Journal of Chemistry","2001","25","3","396","","10.1039/b008601k","","","0.71073","MoKα","","0.1115","0.073","","0.1943","0.1633","","","","1.068","1.084","1.084","","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051081","9.708","0.003","10.855","0.002","20.083","0.005","82.78","0.02","86.35","0.02","77.9","0.02","2051.4","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H50 Fe2 O6 P2 -","- C44 H50 Fe2 O6 P2 -","- C88 H100 Fe4 O12 P4 -","2","1","","Richard Frantz; Francis Carré; Jean-Olivier Durand; Gérard F. Lanneau","New phosphonates containing a π-conjugated ferrocenyl unit","New J. Chem.","2001","25","2","188","190","10.1039/b008937k","","","0.71069","MoKα","","0.0629","0.0421","","0.112","0.1094","","","","0.939","1.066","1.066","","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051082","7.181","0.002","12.321","0.002","14.958","0.003","88.55","0.02","83.61","0.02","86.5","0.02","1312.5","0.5","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H72 Co3 Cu2 N4 O24 -","- C36 H66 Co3 Cu2 N4 O24 -","- C36 H66 Co3 Cu2 N4 O24 -","1","0.5","","Valeriya G. Makhankova; Olga Yu. Vassilyeva; Volodymyr N. Kokozay; Brian W. Skelton; Jan Reedijk; Gerard A. Van Albada; Lorenzo Sorace; Dante Gatteschi","A unique heteropentanuclear CuII2CoIICoIII2 complex, synthesised from metallic Cu and Co acetate in the presence of triethanolamine. Magnetic properties and a strong H-bond stabilised lattice","New J. Chem.","2001","25","5","685","689","10.1039/b009194o","","","0.71073","MoKα","","0.114","0.062","","0.076","","0.066","","","1.19","","","1.318","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7051086","14.358","0.0007","14.358","0.0007","37.944","0.002","90","","90","","90","","7822.2","0.7","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C50 H37 Co O4 -","- C50 H37 Co O4 -","- C400 H296 Co8 O32 -","8","1","","Grepioni, Fabrizia; Gladiali, Serafino; Scaccianoce, Laura; Ribeiro, Paulinha; Braga, Dario","Crystal engineering of chiral superstructures based on (R)-(+)-1,1'-bi-2-naphthol and the alkali derivatives of racemic (R,S)-1,1'-bi-2-naphthol","New Journal of Chemistry","2001","25","5","690","","10.1039/b009665m","","","0.71073","MoKα","","0.4191","0.0629","","","0.1486","0.2076","","","","","","0.644","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051087","13.2613","0.0004","13.2613","0.0004","33.4406","0.0015","90","","90","","90","","5880.9","0.4","293","2","293","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C40 H30 Co O3 -","- C40 H30 Co O3 -","- C320 H240 Co8 O24 -","8","1","","Grepioni, Fabrizia; Gladiali, Serafino; Scaccianoce, Laura; Ribeiro, Paulinha; Braga, Dario","Crystal engineering of chiral superstructures based on (R)-(+)-1,1'-bi-2-naphthol and the alkali derivatives of racemic (R,S)-1,1'-bi-2-naphthol","New Journal of Chemistry","2001","25","5","690","","10.1039/b009665m","","","0.71073","MoKα","","0.1186","0.0331","","","0.0625","0.075","","","","","","0.812","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051088","10.4464","0.0016","14.85","0.002","15.985","0.002","68.894","0.005","80.311","0.005","87.814","0.005","2279.7","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C51.5 H41.5 Co N1.5 O7 -","- C51.5 H41.5 Co N1.5 O7 -","- C103 H83 Co2 N3 O14 -","2","1","","Grepioni, Fabrizia; Gladiali, Serafino; Scaccianoce, Laura; Ribeiro, Paulinha; Braga, Dario","Crystal engineering of chiral superstructures based on (R)-(+)-1,1'-bi-2-naphthol and the alkali derivatives of racemic (R,S)-1,1'-bi-2-naphthol","New Journal of Chemistry","2001","25","5","690","","10.1039/b009665m","","","0.71073","MoKα","","0.3358","0.0763","","","0.1959","0.2554","","","","","","0.717","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051089","10.622","0.001","12.39","0.001","12.59","0.001","89.4","0.01","112.13","0.01","100.14","0.01","1508.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H27 Cs O4 -","- C40 H27 Cs O4 -","- C80 H54 Cs2 O8 -","2","1","","Grepioni, Fabrizia; Gladiali, Serafino; Scaccianoce, Laura; Ribeiro, Paulinha; Braga, Dario","Crystal engineering of chiral superstructures based on (R)-(+)-1,1'-bi-2-naphthol and the alkali derivatives of racemic (R,S)-1,1'-bi-2-naphthol","New Journal of Chemistry","2001","25","5","690","","10.1039/b009665m","","","0.71073","MoKα","","0.0736","0.0475","","","0.134","0.1564","","","","","","0.889","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051090","10.682","0.001","12.214","0.001","12.668","0.001","90","0.01","112.6","0.01","100.03","0.01","1498.5","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H27 O4 Rb -","- C40 H27 O4 Rb -","- C80 H54 O8 Rb2 -","2","1","","Grepioni, Fabrizia; Gladiali, Serafino; Scaccianoce, Laura; Ribeiro, Paulinha; Braga, Dario","Crystal engineering of chiral superstructures based on (R)-(+)-1,1'-bi-2-naphthol and the alkali derivatives of racemic (R,S)-1,1'-bi-2-naphthol","New Journal of Chemistry","2001","25","5","690","","10.1039/b009665m","","","0.71073","MoKα","","0.1121","0.0657","","","0.1712","0.1998","","","","","","1.032","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051091","23.255","0.003","11.484","0.002","6.936","0.009","90","","90","","90","","1852","2","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C12 H9 N O -","- C12 H9 N O -","- C96 H72 N8 O8 -","8","1","","Touzani, Rachid; Ben-Hadda, Taibi; Elkadiri, Sghir; Ramdani, Abdelkrim; Maury, Olivier; Le Bozec, Hubert; Toupet, Loic; Dixneuf, Pierre H.","Solution, solid state structure and fluorescence studies of 2,3-functionalized quinoxalines: evidence for a π-delocalized keto-enamine form with N‒H···O intramolecular hydrogen bonds","New Journal of Chemistry","2001","25","3","391","","10.1039/b009667i","","","0.71069","MoKα","","0.1056","0.0408","","","0.0957","0.1156","","","","","","0.999","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051092","11.008","0.003","18.305","0.003","10.524","0.006","90","","109.91","0.03","90","","1993.9","1.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H48 N4 O4 -","- C48 H48 N4 O4 -","- C96 H96 N8 O8 -","2","1","","Touzani, Rachid; Ben-Hadda, Taibi; Elkadiri, Sghir; Ramdani, Abdelkrim; Maury, Olivier; Le Bozec, Hubert; Toupet, Loic; Dixneuf, Pierre H.","Solution, solid state structure and fluorescence studies of 2,3-functionalized quinoxalines: evidence for a π-delocalized keto-enamine form with N‒H···O intramolecular hydrogen bonds","New Journal of Chemistry","2001","25","3","391","","10.1039/b009667i","","","0.71069","MoKα","","0.2081","0.0511","","","0.104","0.1465","","","","","","0.905","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051093","8.3994","0.001","14.738","0.002","18.901","0.003","90","","99.35","0.01","90","","2308.7","0.6","293","2","193","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","tetrakis(octanoato O,O')bis(2-aminopyridine)dicopper(II)","","- C42 H72 Cu2 N4 O8 -","- C42 H72 Cu2 N4 O8 -","- C84 H144 Cu4 N8 O16 -","2","0.5","","Lah, Nina; Giester, Gerald; Lah, Jurij; Šegedin, Primož; Leban, Ivan","Copper(II) carboxylates with 2-aminopyridine. Synthesis, characterization and a study of the dimer‒monomer equilibrium in acetonitrile solutions by VIS-spectroscopic and microcalorimetric titrations","New Journal of Chemistry","2001","25","5","753","","10.1039/b009807h","","","0.71073","MoKα","","0.0787","0.0548","","","0.1494","0.1738","","","","","","0.909","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051094","8.427","0.002","25.312","0.005","13.734","0.003","90","","105.42","0.03","90","","2824.1","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","bis(octanoato-O)bis(2-aminopyridine)copper(II)","","- C26 H42 Cu N4 O4 -","- C26 H42 Cu N4 O4 -","- C104 H168 Cu4 N16 O16 -","4","1","","Lah, Nina; Giester, Gerald; Lah, Jurij; Šegedin, Primož; Leban, Ivan","Copper(II) carboxylates with 2-aminopyridine. Synthesis, characterization and a study of the dimer‒monomer equilibrium in acetonitrile solutions by VIS-spectroscopic and microcalorimetric titrations","New Journal of Chemistry","2001","25","5","753","","10.1039/b009807h","","","0.71073","MoKα","","0.129","0.069","","","0.1312","0.1492","","","","","","1.024","","","","has coordinates","180064","2020-10-21","18:00:00",""
"7051095","17.676","0.006","18.784","0.008","22.185","0.011","90","","90","","90","","7366","5","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H69 N5 P2 -","- C31 H69 N5 P2 -","- C248 H552 N40 P16 -","8","1","","Baceiredo, Antoine; Bertrand, Guy; Dyer, Philip W.; Fawcett, John; Griep-Raming, Nina; Guerret, Olivier; Hanton, Martin J.; Russell, David R.; Williamson, Anna-Maria","The 'one-pot' syntheses of α,α'-diphosphino-substituted imines: a unique reaction of bulky bis(dialkylamino)chlorophosphines","New Journal of Chemistry","2001","25","4","591","","10.1039/b009867l","","","0.71073","MoKα","","0.163","0.0776","","","0.1628","0.2","","","","","","0.983","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051099","13.342","0.002","16.113","0.002","25.563","0.002","80.02","0.01","77.7","0.01","69.65","0.01","5004.6","1.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C89 H111 N5 O3 Ru -","- C89 H111 N5 O3 Ru -","- C178 H222 N10 O6 Ru2 -","2","1","","Maiya, Bhaskar G.; Bampos, Nick; Asok Kumar, A.; Feeder, Neil; Sanders, Jeremy K. M.","A supramolecular array assembled via the complementary binding properties of ruthenium(II) and tin(IV) porphyrins","New Journal of Chemistry","2001","25","6","797","","10.1039/b010148f","","","0.71073","MoKα","","0.1153","0.0779","","","0.2352","0.264","","","","","","1.055","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7051103","9.0532","0.0004","18.5975","0.0009","13.4262","0.0008","90","","92.218","0.002","90","","2258.8","0.2","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C54 H52 N2 P2 S2 -","- C54 H52 N2 P2 S2 -","- C108 H104 N4 P4 S4 -","2","1","","Andrieu, Jacques; Camus, Jean-Michel; Poli, Rinaldo; Richard, Philippe","New chiral α-aminophosphine oxides and sulfides: an unprecedented rhodium-catalyzed ligand epimerization","New Journal of Chemistry","2001","25","8","1015","","10.1039/b100217l","","","0.71069","MoKα","","0.0689","0.0425","","","0.0753","0.0829","","","","","","0.992","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051104","5.804","0.001","16.911","0.003","23.518","0.006","90","","90","","90","","2308.3","0.8","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 N O P -","- C27 H26 N O P -","- C108 H104 N4 O4 P4 -","4","1","","Andrieu, Jacques; Camus, Jean-Michel; Poli, Rinaldo; Richard, Philippe","New chiral α-aminophosphine oxides and sulfides: an unprecedented rhodium-catalyzed ligand epimerization","New Journal of Chemistry","2001","25","8","1015","","10.1039/b100217l","","","0.71073","MoKα","","0.0409","0.0358","","","0.0858","0.0891","","","","","","1.045","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051105","8.023","0.0001","8.234","0.0001","33.321","0.0005","90","","90.401","0.0005","90","","2201.18","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 Cl2 N2 Ru -","- C23 H30 Cl2 N2 Ru -","- C92 H120 Cl8 N8 Ru4 -","4","1","","Bekir Çetinkaya; Serpil Demir; Ismail Özdemir; Loïc Toupet; David Sémeril; Christian Bruneau; Pierre H. Dixneuf","First ruthenium complexes with a chelating arene carbene ligand as catalytic precursors for alkene metathesis and cycloisomerisation","New J. Chem.","2001","25","4","519","521","10.1039/b100264n","","","0.71069","MoKα","","0.0381","0.0319","","","0.0907","0.0953","","","","","","1.04","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7051106","11.6439","0.0001","12.7731","0.0002","15.5221","0.0003","81.983","0.001","71.16","","86.863","0.001","2163.43","0.06","293","2","","","","","","","","","","6","P 1","P 1","1","","","","- C77 H83 Cl16 Co N6 O8 -","- C77 H83 Cl16 Co N6 O8 -","- C77 H83 Cl16 Co N6 O8 -","1","1","","Jean-Pierre Simonato; Sabrina Chappellet; Jacques Pécaut; Paul Baret; Jean-Claude Marchon","Evaluation of cobalt(III) tetramethylchiroporphyrin as an analytical reagent for the determination of enantiomer composition of primary amines and aziridines by 1H NMR spectroscopy","New J. Chem.","2001","25","5","714","720","10.1039/b100268f","","","0.71073","MoKα","","0.0796","0.0632","","0.1702","0.1576","","","","0.995","1.053","1.053","","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7051107","11.8042","0.0001","11.8042","0.0001","38.5292","0.0001","90","","90","","120","","4649.37","0.06","193","2","","","","","","","","","","6","P 62 2 2","P 62 2 (0 0 4)","180","","","","- C56 H84 Cl Co N6 O12 -","- C56 H74 Cl Co N6 O12 -","- C168 H222 Cl3 Co3 N18 O36 -","3","0.25","","Jean-Pierre Simonato; Sabrina Chappellet; Jacques Pécaut; Paul Baret; Jean-Claude Marchon","Evaluation of cobalt(III) tetramethylchiroporphyrin as an analytical reagent for the determination of enantiomer composition of primary amines and aziridines by 1H NMR spectroscopy","New J. Chem.","2001","25","5","714","720","10.1039/b100268f","","","0.71073","MoKα","","0.0891","0.0684","","","0.1737","0.1857","","","","","","1.304","","","","has coordinates,has disorder","180065","2020-10-21","18:00:00",""
"7051113","9.5318","0.0016","15.85","0.002","10.3573","0.0011","90","","110.16","","90","","1468.9","0.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,10-Dibromo-4,7-bis-(3-bromo-prop-1-ynyl)-4,7-bisbenzoyloxy-dodeca- 2,8-diyne","","- C30 H26 Br4 O2 -","- C30 H26 Br4 O2 -","- C60 H52 Br8 O4 -","2","0.5","","König, Burkhard; Pitsch, Wolfgang; Dix, Ina; Jones, Peter G.","Synthesis and structure of bicyclic enediynes via twofold carbenoid ring closure","New Journal of Chemistry","2001","25","7","912","916","10.1039/b101572a","","","0.71073","MoKα","","0.1093","0.047","","0.1061","0.0932","","","","0.903","1.1","1.1","","","","","has coordinates","210356","2020-10-21","18:00:00",""
"7051114","9.108","0.004","11.199","0.003","25.19","0.006","96.03","0.03","97.718","0.018","109.5","0.03","2369","1.4","143","2","143","2","","","","","","","","3","P -1","-P 1","2","","1,8-Dibenzoyloxy-bicyclo[6.6.4]octadeca-4,11-diene-2,6,9,13-tetrayne","","- C32 H26 O2 -","- C32 H26 O2 -","- C128 H104 O8 -","4","2","","König, Burkhard; Pitsch, Wolfgang; Dix, Ina; Jones, Peter G.","Synthesis and structure of bicyclic enediynes via twofold carbenoid ring closure","New Journal of Chemistry","2001","25","7","912","916","10.1039/b101572a","","","0.71073","MoKα","","0.1476","0.0612","","0.1446","0.1111","","","","1.018","1.137","1.137","","","","","has coordinates,has disorder","210356","2020-10-21","18:00:00",""
"7051115","11.7417","0.0002","15.7638","0.0002","16.3452","0.0002","61.8921","0.0003","88.7569","0.0008","78.1825","0.0009","2602.21","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 N2 -","- C14 H18 N2 -","- C112 H144 N16 -","8","4","","Trofimenko, Swiatoslaw; Rheingold, Arnold L.; Liable-Sands, Louise M.; María Claramunt, Rosa; López, Concepción; Dolores Santa María, María; Elguero, Jose","The molecular structure of 4-tert-butylpyrazoles in the solid state and in solution: an X-ray, NMR and calorimetric study of the buttressing effect of a 4-tert-butyl substituent","New Journal of Chemistry","2001","25","6","819","","10.1039/b101733k","","","0.71073","MoKα","","0.1115","0.0646","","","0.1678","0.2059","","","","","","1.065","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051116","18.9969","0.001","18.9969","0.001","13.3498","0.001","90","","90","","90","","4817.7","0.5","173","2","173","2","","","","","","","","3","I 41/a :2","-I 4ad","88","","","","- C12 H22 N2 -","- C12 H22 N2 -","- C192 H352 N32 -","16","1","","Trofimenko, Swiatoslaw; Rheingold, Arnold L.; Liable-Sands, Louise M.; María Claramunt, Rosa; López, Concepción; Dolores Santa María, María; Elguero, Jose","The molecular structure of 4-tert-butylpyrazoles in the solid state and in solution: an X-ray, NMR and calorimetric study of the buttressing effect of a 4-tert-butyl substituent","New Journal of Chemistry","2001","25","6","819","","10.1039/b101733k","","","0.71073","MoKα","","0.1141","0.0609","","","0.1123","0.1388","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051117","12.7395","0.0004","28.0431","0.0007","12.2071","0.0003","90","","98.0824","0.0019","90","","4317.7","0.2","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C10 H18 N2 -","- C10 H18 N2 -","- C160 H288 N32 -","16","2","","Trofimenko, Swiatoslaw; Rheingold, Arnold L.; Liable-Sands, Louise M.; María Claramunt, Rosa; López, Concepción; Dolores Santa María, María; Elguero, Jose","The molecular structure of 4-tert-butylpyrazoles in the solid state and in solution: an X-ray, NMR and calorimetric study of the buttressing effect of a 4-tert-butyl substituent","New Journal of Chemistry","2001","25","6","819","","10.1039/b101733k","","","0.71073","MoKα","","0.1077","0.0685","","","0.1308","0.1522","","","","","","1.185","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051118","15.049","0.002","15.049","0.002","18.794","0.004","90","","90","","120","","3686.1","1","293","2","293","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","","","- C48 H126 Cr2 N30 Ni3 O24 -","- C48 H106.02 Cr2 N30 Ni3 O14 -","- C96 H212.04 Cr4 N60 Ni6 O28 -","2","0.166667","","Xiang, Hua; Gao, Song; Lu, Tong-Bu; Luck, Rudy L.; Mao, Zong-Wan; Chen, Xiao-Ming; Ji, Liang-Nian","[NiL1]3[Cr(CN)6]2·18H2O [L1=3,10-bis(2-hydroxyethyl)- 1,3,5,8,10,12-hexaazacyclotetradecane]: a two-dimensional bimetallic assembly exhibiting antiferromagnetic ordering and metamagnetic behavior","New Journal of Chemistry","2001","25","6","875","","10.1039/b101778k","","","0.71073","MoKα","","0.0748","0.0324","","","0.0859","0.1007","","","","","","1.004","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7051119","15.004","0.004","10.412","0.004","16.228","0.002","90","","112.69","0.01","90","","2339","1.1","296","","296","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H33 Cl3 Cu2 N4 O3 Zn -","- C12 H33 Cl3 Cu2 N4 O3 Zn -","- C48 H132 Cl12 Cu8 N16 O12 Zn4 -","4","1","","Elena A. Vinogradova; Olga Yu. Vassilyeva; Volodymyr N. Kokozay; Philip J. Squattrito; Jan Reedijk; Gerard A. Van Albada; Wolfgang Linert; Satish K. Tiwary; Paul R. Raithby","Symmetric and asymmetric trinuclear cores in novel μ-alkoxo-bridged mixed-metal CuII2ZnII complexes: synthesis from zerovalent copper and zinc oxide, structure and magnetism","New J. Chem.","2001","25","7","949","953","10.1039/b101883n","","","0.7107","MoKα","","","0.032","","","","0.031","","","","","","1.68","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051120","15.214","0.003","10.478","0.002","16.526","0.003","90","","113.69","0.03","90","","2412.4","1","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C12 H33 Br3 Cu2 N4 O3 Zn -","- C12 H33 Br3 Cu2 N4 O3 Zn -","- C48 H132 Br12 Cu8 N16 O12 Zn4 -","4","1","","Elena A. Vinogradova; Olga Yu. Vassilyeva; Volodymyr N. Kokozay; Philip J. Squattrito; Jan Reedijk; Gerard A. Van Albada; Wolfgang Linert; Satish K. Tiwary; Paul R. Raithby","Symmetric and asymmetric trinuclear cores in novel μ-alkoxo-bridged mixed-metal CuII2ZnII complexes: synthesis from zerovalent copper and zinc oxide, structure and magnetism","New J. Chem.","2001","25","7","949","953","10.1039/b101883n","","","0.71073","MoKα","","0.1024","0.0679","","0.1966","0.1665","","","","1.013","1.07","1.07","","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7051121","14.288","0.003","19.827","0.004","10.079","0.002","90","","90","","90","","2855.3","1","180","2","180","2","","","","","","","","7","C m c 21","C 2c -2","36","","","","- C17 H33 Cu2 N7 O3 S3 Zn -","- C17 H33 Cu2 N7 O3 S3 Zn -","- C68 H132 Cu8 N28 O12 S12 Zn4 -","4","0.5","","Elena A. Vinogradova; Olga Yu. Vassilyeva; Volodymyr N. Kokozay; Philip J. Squattrito; Jan Reedijk; Gerard A. Van Albada; Wolfgang Linert; Satish K. Tiwary; Paul R. Raithby","Symmetric and asymmetric trinuclear cores in novel μ-alkoxo-bridged mixed-metal CuII2ZnII complexes: synthesis from zerovalent copper and zinc oxide, structure and magnetism","New J. Chem.","2001","25","7","949","953","10.1039/b101883n","","","0.71073","MoKα","","0.1166","0.0635","","","0.1096","0.1311","","","","","","1.005","","","","has coordinates,has disorder","180065","2020-10-21","18:00:00",""
"7051122","7.1504","0.0001","13.5269","0.0002","13.5587","0.0002","63.756","0.001","80.888","0.001","81.243","0.001","1156.39","0.03","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Trimesic acid. phloroglucinol","","","- C24 H18 O15 -","- C24 H18 O15 -","- C48 H36 O30 -","2","1","","Liu, Rong; Mok, Kum-Fun; Valiyaveettil, Suresh","Solid-state self-assembly of a complex from 1,3,5-benzenetricarboxylic acid and 1,3,5-trihydroxybenzene: influence of strong O‒H···O and C‒H···O hydrogen bonds","New Journal of Chemistry","2001","25","7","890","","10.1039/b102098f","","","0.71073","MoKα","","0.0447","0.0368","","","0.1069","0.1112","","","","","","1.062","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051128","12.374","0.002","10.334","0.002","9.428","0.002","90","","92.83","0.03","90","","1204.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","C6 H17 N O6 P2, H2 O","N-n-pentylaminomethane-1.1-diphosphonic acid","","- C6 H19 N O7 P2 -","- C6 H19 N O7 P2 -","- C24 H76 N4 O28 P8 -","4","1","","Ewa Matczak-Jon; Wanda Sawka-Dobrowolska; Paweł Kafarski; Veneta Videnova-Adrabińska","Molecular organization and solution properties of N-substituted aminomethane-1,1-diphosphonic acids","New J. Chem.","2001","25","11","1447","1457","10.1039/b102282m","","","0.71073","MoKα","","0.0731","0.0363","","","0.0596","0.0678","","","","","","0.885","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7051129","7.167","0.001","7.535","0.001","10.052","0.002","98.14","0.01","99.1","0.01","99.59","0.01","520.6","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","C5 H13 N O6 P2, H2 O","N-pyrrolidinemethane-1,1-diphosphonic acid","","- C5 H15 N O7 P2 -","- C5 H15 N O7 P2 -","- C10 H30 N2 O14 P4 -","2","1","","Ewa Matczak-Jon; Wanda Sawka-Dobrowolska; Paweł Kafarski; Veneta Videnova-Adrabińska","Molecular organization and solution properties of N-substituted aminomethane-1,1-diphosphonic acids","New J. Chem.","2001","25","11","1447","1457","10.1039/b102282m","","","0.71073","MoKα","","0.0374","0.0341","","","0.0909","0.0928","","","","","","1.082","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7051130","11.128","0.002","8.248","0.002","13.527","0.003","90","","101.97","0.03","90","","1214.6","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(3-carboxy-2-pyridyl)aminomethane-1,1-diphosphonic acid","","- C7 H12 N2 O9 P2 -","- C7 H12 N2 O9 P2 -","- C28 H48 N8 O36 P8 -","4","1","","Ewa Matczak-Jon; Wanda Sawka-Dobrowolska; Paweł Kafarski; Veneta Videnova-Adrabińska","Molecular organization and solution properties of N-substituted aminomethane-1,1-diphosphonic acids","New J. Chem.","2001","25","11","1447","1457","10.1039/b102282m","","","0.71073","MoKα","","0.0685","0.0438","","","0.0925","0.0983","","","","","","1.082","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7051131","7.313","0.001","15.94","0.003","9.421","0.002","90","","97.49","0.03","90","","1088.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","N-(5-methyl-2-pyridyl)aminomethane-1,1-diphosphonic acid","","- C7 H12 N2 O6 P2 -","- C7 H12 N2 O6 P2 -","- C28 H48 N8 O24 P8 -","4","2","","Ewa Matczak-Jon; Wanda Sawka-Dobrowolska; Paweł Kafarski; Veneta Videnova-Adrabińska","Molecular organization and solution properties of N-substituted aminomethane-1,1-diphosphonic acids","New J. Chem.","2001","25","11","1447","1457","10.1039/b102282m","","","0.71073","MoKα","","0.0909","0.089","","","0.2504","0.25","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051135","7.729","0.008","10.712","0.002","13.985","0.004","90","","101.65","0.04","90","","1134","1.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H9 Cl N4 O Pd -","- C9 H9 Cl N4 O Pd -","- C36 H36 Cl4 N16 O4 Pd4 -","4","1","","José Elguero; Ana Guerrero; Felipe Gómez de la Torre; Antonio de la Hoz; Félix A. Jalón; Blanca R. Manzano; Ana Rodríguez","New complexes with pyrazole-containing ligands and different metallic centres. Comparative study of their fluxional behaviour involving M‒N bond rupture","New J. Chem.","2001","25","8","1050","1060","10.1039/b102318g","","","0.71073","MoKα","","0.0819","0.0435","","","0.1026","0.1199","","","","","","0.883","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051136","7.623","0.004","10.1347","0.0008","11.927","0.001","66.511","0.008","79.73","0.02","81.53","0.02","828.6","0.5","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C12 H11 F3 N4 O3 Pd S -","- C12 H11 F3 N4 O3 Pd S -","- C24 H22 F6 N8 O6 Pd2 S2 -","2","1","","José Elguero; Ana Guerrero; Felipe Gómez de la Torre; Antonio de la Hoz; Félix A. Jalón; Blanca R. Manzano; Ana Rodríguez","New complexes with pyrazole-containing ligands and different metallic centres. Comparative study of their fluxional behaviour involving M‒N bond rupture","New J. Chem.","2001","25","8","1050","1060","10.1039/b102318g","","","0.7107","MoKα","","0.0768","0.0595","","","0.1762","0.2064","","","","","","1.011","","","","has coordinates,has disorder","180065","2020-10-21","18:00:00",""
"7051137","10.075","0.001","9.034","0.002","22.973","0.007","90","","92.7","0.02","90","","2088.6","0.8","296","","","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 Co Mo O10 Ru S -","- C16 H9 Co Mo O10 Ru S -","- C64 H36 Co4 Mo4 O40 Ru4 S4 -","4","1","","Zhang Yu-hua; Yuan Jian-chao; Yin Yuan-qi; Zhou Zhong-yuan; Albert S. C. Chan","Synthesis and reactions of chiral clusters containing an SRuCoMo core","New J. Chem.","2001","25","7","939","944","10.1039/b102368n","","","0.71073","MoKα","","","0.03","","","0.042","","","","","1.23","1.23","","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7051138","7.67","0.003","22.001","0.01","13.392","0.006","90","","92.23","0.009","90","","2258.2","1.7","294","2","294","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 Co Mo O11 Ru S -","- C18 H11 Co Mo O11 Ru S -","- C72 H44 Co4 Mo4 O44 Ru4 S4 -","4","1","","Zhang Yu-hua; Yuan Jian-chao; Yin Yuan-qi; Zhou Zhong-yuan; Albert S. C. Chan","Synthesis and reactions of chiral clusters containing an SRuCoMo core","New J. Chem.","2001","25","7","939","944","10.1039/b102368n","","","0.71073","MoKα","","0.088","0.0594","","","0.1462","0.1659","","","","","","0.955","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7051139","7.43","0.003","14.002","0.005","15.206","0.006","114.78","0.02","80.67","0.03","98.49","0.03","1411.7","1","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C30 H27 B Cu F4 N4 O P -","- C30 H27 B Cu F4 N4 O P -","- C60 H54 B2 Cu2 F8 N8 O2 P2 -","2","1","","Douce, Laurent; Charbonnière, Loïc; Cesario, Michèle; Ziessel, Raymond","Phosphine oxide functionalised with two bipyridine subunits: a novel ligand for the engineering of sterically hindered complexes","New Journal of Chemistry","2001","25","8","1024","","10.1039/b102520c","","","0.7107","MoKα","","0.1109","0.0683","","0.1953","","0.1668","","","1.033","","","1.112","","","","has coordinates,has disorder","180065","2020-10-21","18:00:00",""
"7051140","10.3346","0.0003","10.5105","0.0003","17.3351","0.0004","90","","90","","90","","1882.97","0.09","173","0.1","173","0.1","","","","","","","","3","P n c a","-P 2a 2n","60","","","","- C23 H22 S2 -","- C23 H22 S2 -","- C92 H88 S8 -","4","0.5","","Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari","Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes","New Journal of Chemistry","2001","25","7","905","","10.1039/b102725p","","","0.71073","MoKα","","0.0434","0.0374","","","0.0979","0.1026","","","","","","1.057","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051141","10.9684","0.0007","10.2645","0.0006","16.6081","0.001","90","","91.0448","0.0031","90","","1869.5","0.2","173","0.1","173","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 S2 -","- C23 H22 S2 -","- C92 H88 S8 -","4","1","","Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari","Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes","New Journal of Chemistry","2001","25","7","905","","10.1039/b102725p","","","0.71073","MoKα","","0.0869","0.0633","","","0.1246","0.1311","","","","","","1.228","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051142","10.2631","0.0008","10.4883","0.0005","15.9213","0.0012","90","","90","","90","","1713.8","0.2","173","0.1","173","0.1","","","","","","","","2","P 21 n b","P -2bc 2a","33","","","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","1","","Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari","Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes","New Journal of Chemistry","2001","25","7","905","","10.1039/b102725p","","","0.71073","MoKα","","0.0494","0.0371","","","0.0657","0.0688","","","","","","1.085","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051143","9.669","0.0006","9.669","0.0006","18.4244","0.0009","90","","90","","90","","1722.49","0.17","173","0.1","173","0.1","","","","","","","","2","P 41","P 4w","76","","","","- C23 H22 -","- C23 H22 -","- C92 H88 -","4","1","","Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari","Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes","New Journal of Chemistry","2001","25","7","905","","10.1039/b102725p","","","0.71073","MoKα","","0.0486","0.0386","","","0.0785","0.0818","","","","","","1.08","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051144","11.7142","0.0006","13.7436","0.0005","13.8602","0.0006","90","","90","","90","","2231.43","0.17","173","0.1","173","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 Ag F3 O3 S -","- C24 H22 Ag F3 O3 S -","- C96 H88 Ag4 F12 O12 S4 -","4","1","","Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari","Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes","New Journal of Chemistry","2001","25","7","905","","10.1039/b102725p","","","0.71073","MoKα","","0.0588","0.0435","","","0.0633","0.0658","","","","","","1.095","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051145","10.8557","0.0003","55.1676","0.0018","15.8584","0.0004","90","","90.312","0.0012","90","","9497.2","0.5","173","0.1","173","0.1","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C99 H88 Ag4 F12 O13 S4 -","- C99 H88 Ag4 F12 O13 S4 -","- C396 H352 Ag16 F48 O52 S16 -","4","1","","Lahtinen, Tanja; Wegelius, Elina; Rissanen, Kari","Synthesis and X-ray structures of new concave π-prismand hydrocarbon [2.2.1]m,p,p- and [2.2.1]p,p,p-cyclophanes","New Journal of Chemistry","2001","25","7","905","","10.1039/b102725p","","","0.71073","MoKα","","0.0691","0.0618","","","0.1559","0.1617","","","","","","1.027","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7051146","8.6112","0.0003","8.8243","0.0003","9.2589","0.0003","75.17","0.002","71.033","0.003","63.78","0.002","591.64","0.04","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H11 N S Se -","- C13 H11 N S Se -","- C26 H22 N2 S2 Se2 -","2","1","","Boryczka, Stanisław; Rozenberg, Mark S.; Schreurs, Antoine M. M.; Kroon, Jan; Starikov, Evgeni B.; Steiner, Thomas","A short C‒H···N hydrogen bond with a very strong IR spectroscopic effect","New Journal of Chemistry","2001","25","9","1111","","10.1039/b102727c","","","0.71073","MoKα","","0.0471","0.0407","","","0.1047","0.1089","","","","","","1.029","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051149","14.5678","0.0004","21.2602","0.0001","7.8893","0.0002","90","","90","","90","","2443.43","0.09","293","2","293","2","","","","","","","","6","F m m 2","F 2 -2","42","","","","- Cd Cl0.75 H2.5 Na0.75 O6 P1.5 -","- Cd Cl0.75 H2.5 Na0.75 O6 P1.5 -","- Cd16 Cl12 H40 Na12 O96 P24 -","16","1","","Jayaraman, Krishnamoorthy; Choudhury, Amitava; Vaidhyanathan, Ramanathan; Rao, C. N. R.","A layered chlorophosphate, Na3[Cd4Cl3(HPO4)2(H2PO4)4], containing Na+ ions in the interlamellar space","New Journal of Chemistry","2001","25","9","1199","","10.1039/b103278j","","","0.71073","MoKα","","0.0216","0.0199","","0.045","0.0444","","","","1.027","1.037","1.037","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051154","9.738","0.001","18.582","0.002","12.564","0.001","90","","98.84","0.02","90","","2246.5","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O3 P2 S -","- C24 H21 N O3 P2 S -","- C96 H84 N4 O12 P8 S4 -","4","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.0933","0.0475","","","0.0907","0.1173","","","","","","1.235","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051155","9.745","0.002","18.799","0.004","12.423","0.002","90","","98.21","0.03","90","","2252.5","0.8","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O3 P2 Se -","- C24 H21 N O3 P2 Se -","- C96 H84 N4 O12 P8 Se4 -","4","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.112","0.0571","","","0.1239","0.1714","","","","","","1.111","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051156","18.491","0.004","23.2","0.005","9.642","0.002","90","","98.59","0.03","90","","4089.9","1.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H25 N O3 P2 Se -","- C18 H25 N O3 P2 Se -","- C144 H200 N8 O24 P16 Se8 -","8","2","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.0472","0.034","","","0.0857","0.0895","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051157","23.236","0.005","9.654","0.002","22.026","0.004","90","","108.97","0.03","90","","4672.5","1.8","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N O2 P2 S Se -","- C24 H21 N O2 P2 S Se -","- C192 H168 N8 O16 P16 S8 Se8 -","8","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.0492","0.0342","","","0.0939","0.1014","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051158","23.166","0.005","9.633","0.002","22.06","0.004","90","","109.23","0.03","90","","4648.2","1.8","130","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H21 N O2 P2 S2 -","- C24 H21 N O2 P2 S2 -","- C192 H168 N8 O16 P16 S16 -","8","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.043","0.0332","","","0.0936","0.0993","","","","","","1.066","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051159","8.494","0.002","9.173","0.002","13.751","0.003","97.97","0.03","104.38","0.03","92.35","0.03","1024.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H25 N O2 P2 S2 -","- C18 H25 N O2 P2 S2 -","- C36 H50 N2 O4 P4 S4 -","2","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.1081","0.0771","","","0.1908","0.2127","","","","","","1.089","","","","has coordinates,has disorder","180065","2020-10-21","18:00:00",""
"7051160","10.154","0.002","17.574","0.004","22.213","0.004","90","","90","","90","","3963.8","1.4","150","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H25 N P2 S2 -","- C18 H25 N P2 S2 -","- C144 H200 N8 P16 S16 -","8","2","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.0324","0.0275","","","0.0737","0.0763","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051161","9.974","0.002","13.675","0.003","15.078","0.003","76.93","0.03","70.93","0.03","68.82","0.03","1798.7","0.8","120","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 N O3 P S -","- C19 H16 N O3 P S -","- C76 H64 N4 O12 P4 S4 -","4","2","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.0523","0.0334","","","0.078","0.0817","","","","","","0.963","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051162","10.678","0.002","9.294","0.002","23.112","0.005","90","","99.24","0.03","90","","2263.9","0.8","120","2","120","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 N O3 P2 Pd0.5 S -","- C24 H20 N O3 P2 Pd0.5 S -","- C96 H80 N4 O12 P8 Pd2 S4 -","4","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.0315","0.0249","","","0.0638","0.065","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051163","11.605","0.002","12.181","0.002","15.93","0.003","110.77","0.03","91.19","0.03","106.59","0.03","1999.1","0.9","130","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C36 H48 N2 O6 P4 Pd S2 -","- C36 H48 N2 O6 P4 Pd S2 -","- C72 H96 N4 O12 P8 Pd2 S4 -","2","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.1212","0.0422","","","0.103","0.122","","","","","","0.982","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7051164","10.698","0.002","10.89","0.002","11.22","0.002","108.78","0.03","105.07","0.03","95.4","0.03","1172.2","0.5","130","2","130","2","","","","","","","","7","P -1","-P 1","2","","","","- C24 H20 N O2 P2 Pd0.5 S2 -","- C24 H20 N O2 P2 Pd0.5 S2 -","- C48 H40 N2 O4 P4 Pd S4 -","2","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.0641","0.0448","","","0.1172","0.1255","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051165","10.829","0.002","22.4","0.004","10.007","0.002","90","","98.22","0.03","90","","2402.5","0.8","130","2","293","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C24 H21 N O5 P2 S -","- C24 H21 N O5 P2 S -","- C96 H84 N4 O20 P8 S4 -","4","1","","Marek Necas; Mark R. St J. Foreman; Jaromír Marek; J. Derek Woollins; Josef Novosad","New mixed-donor unsymmetrical P‒N‒P ligands and their palladium(II) complexes","New J. Chem.","2001","25","10","1256","1263","10.1039/b103501k","","","0.71073","MoKα","","0.0441","0.0332","","","0.0853","0.089","","","","","","1.04","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051166","8.776","0.011","10.233","0.016","18.853","0.024","90","","90","","90","","1693","4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","13-isopropyl-7-oxo-podocarpe-5,8,11,13-tetraen-4,6-carbolactone 12","","- C20 H22 O3 -","- C20 H22 O3 -","- C80 H88 O12 -","4","1","","Silvia M. C. S. Monteiro; Armando J. D. Silvestre; Artur M. S. Silva; José A. S. Cavaleiro; Vitor Félix; Michael G. B. Drew","Synthesis and structural characterisation of ring B oxidised derivatives of dehydroabietic acid","New J. Chem.","2001","25","8","1091","1097","10.1039/b103737b","","","0.71073","MoKα","","0.1163","0.0828","","","0.2126","0.2296","","","","","","1.155","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051171","8.162","0.001","14.249","0.001","13.862","0.001","90","","94.77","0.02","90","","1606.6","0.3","295","1","295","1","","","","","","","ethanolic synthesis","5","C 1 2/c 1","-C 2yc","15","","bis(pyridinium) tetrabromocuprate(II)","","- C10 H12 Br4 Cu N2 -","- C10 H12 Br4 Cu N2 -","- C40 H48 Br16 Cu4 N8 -","4","0.5","","Luque, Antonio; Sertucha, Jon; Castillo, Oscar; Román, Pascual","Crystal packing and physical properties of pyridinium tetrabromocuprate(II) complexes assembled via hydrogen bonds and aromatic stacking interactions","New Journal of Chemistry","2001","25","9","1208","","10.1039/b104085p","","","0.71069","MoKα","","0.071","0.043","","0.097","","0.05","","","1.43","","","1.19","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051172","18.789","0.003","8.744","0.002","15.518","0.003","90","","135.15","0.03","90","","1798","1.1","295","1","295","1","","","","","","","ethanolic synthesis","5","C 1 2/c 1","-C 2yc","15","","bis(2-methylpyridinium) tetrabromocuprate(II)","","- C12 H16 Br4 Cu N2 -","- C12 H16 Br4 Cu N2 -","- C48 H64 Br16 Cu4 N8 -","4","0.5","","Luque, Antonio; Sertucha, Jon; Castillo, Oscar; Román, Pascual","Crystal packing and physical properties of pyridinium tetrabromocuprate(II) complexes assembled via hydrogen bonds and aromatic stacking interactions","New Journal of Chemistry","2001","25","9","1208","","10.1039/b104085p","","","0.71069","MoKα","","0.071","0.042","","0.101","","0.045","","","1.48","","","1.11","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051173","9.165","0.001","13.592","0.002","14.404","0.003","90","","102.41","0.02","90","","1752.4","0.5","295","1","295","1","","","","","","","ethanolic synthesis","5","P 1 21/n 1","-P 2yn","14","","bis(3-methylpyridinium) tetrabromocuprate(II)","","- C12 H16 Br4 Cu N2 -","- C12 H16 Br4 Cu N2 -","- C48 H64 Br16 Cu4 N8 -","4","1","","Luque, Antonio; Sertucha, Jon; Castillo, Oscar; Román, Pascual","Crystal packing and physical properties of pyridinium tetrabromocuprate(II) complexes assembled via hydrogen bonds and aromatic stacking interactions","New Journal of Chemistry","2001","25","9","1208","","10.1039/b104085p","","","0.71069","MoKα","","0.081","0.04","","0.077","","0.04","","","1.43","","","1.16","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051174","8.483","0.002","9.399","0.002","13.227","0.002","96.29","0.03","91.29","0.03","116.41","0.02","935.8","0.4","295","1","295","1","","","","","","","ethanolic synthesis","5","P -1","-P 1","2","","bis(4-methylpyridinium) tetrabromocuprate(II)","","- C12 H16 Br4 Cu N2 -","- C12 H16 Br4 Cu N2 -","- C24 H32 Br8 Cu2 N4 -","2","1","","Luque, Antonio; Sertucha, Jon; Castillo, Oscar; Román, Pascual","Crystal packing and physical properties of pyridinium tetrabromocuprate(II) complexes assembled via hydrogen bonds and aromatic stacking interactions","New Journal of Chemistry","2001","25","9","1208","","10.1039/b104085p","","","0.71069","MoKα","","0.087","0.045","","0.101","","0.045","","","1.54","","","1.2","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051175","13.0469","0.0014","14.126","0.0016","14.2105","0.0016","90","","91.11","0.002","90","","2618.5","0.5","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C12 H42 Co10 N8 O43 P10 -","- C12 H48 Co10 N8 O43 P10 -","- C24 H96 Co20 N16 O86 P20 -","2","1","","Yanxiong Ke; Gaofei He; Jianmin Li; Yugen Zhang; Sheming Lu","A new mixed divalent metal phosphate with zeolite thomsonite framework topology","New J. Chem.","2001","25","12","1627","1630","10.1039/b104331p","","","0.71073","MoKα","","0.0496","0.043","","","0.1017","0.1038","","","","","","1","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7051181","9.497","0.006","9.41","0.002","18.232","0.008","90","","100.01","0.03","90","","1604.5","1.3","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H21 Cu N5 O4 -","- C13 H21 Cu N5 O4 -","- C52 H84 Cu4 N20 O16 -","4","1","","Sarathi Mukherjee, Partha; Dalai, Sudipta; Mostafa, Golam; Lu, Tian-Huey; Rentschler, Eva; Ray Chaudhuri, Nirmalendu","Synthesis, crystal structure, and magnetic properties of two new Cu(II) complexes with end-to-end azido bridging ligands","New Journal of Chemistry","2001","25","9","1203","","10.1039/b104596m","","","0.71069","MoKα","","0.1381","0.0422","","","0.1128","0.1857","","","","","","1.009","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051182","9.0852","0.001","16.2398","0.0018","10.8913","0.0012","90","","96.881","0.002","90","","1595.3","0.3","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C11 H17 Cl Cu N6 O4 -","- C11 H17 Cl Cu N6 O4 -","- C44 H68 Cl4 Cu4 N24 O16 -","4","1","","Sarathi Mukherjee, Partha; Dalai, Sudipta; Mostafa, Golam; Lu, Tian-Huey; Rentschler, Eva; Ray Chaudhuri, Nirmalendu","Synthesis, crystal structure, and magnetic properties of two new Cu(II) complexes with end-to-end azido bridging ligands","New Journal of Chemistry","2001","25","9","1203","","10.1039/b104596m","","","0.71073","MoKα","","0.0666","0.0434","","","0.1089","0.1161","","","","","","1.068","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051183","6.9395","0.0014","7.6083","0.0015","12.502","0.003","104.45","0.03","93.03","0.03","95.46","0.03","634.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","(CN)EDT-TTF","4-cyano-4',5'-ethylendithio-tetrathiafulvalene","","- C9 H5 N S6 -","- C9 H5 N S6 -","- C18 H10 N2 S12 -","2","1","","Thomas Devic; Josep N. Bertran; Benoît Domercq; Enric Canadell; Narcis Avarvari; Pascale Auban-Senzier; Marc Fourmigué","Cation radical salts of cyano(ethylenedithio)tetrathiafulvalene with halogenated anions: annihilation of the CN···Hal interaction and stabilisation of conducting, antiferromagnetic square or chain-type salts","New J. Chem.","2001","25","11","1418","1424","10.1039/b104640n","","","0.71073","MoKα","","0.0828","0.0559","","","0.1283","0.134","","","","","","1.274","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051184","7.9359","0.0016","9.4229","0.0019","11.957","0.002","99.04","0.03","94.56","0.03","103.7","0.03","851.5","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(EDT-TTF-CN), (I3)","Bis (3-cyano -3',4'-ethylenedithiotetrathiafulvalene, triiodide)","","- C9 H5 I3 N S6 -","- C9 H5 I3 N S6 -","- C18 H10 I6 N2 S12 -","2","1","","Thomas Devic; Josep N. Bertran; Benoît Domercq; Enric Canadell; Narcis Avarvari; Pascale Auban-Senzier; Marc Fourmigué","Cation radical salts of cyano(ethylenedithio)tetrathiafulvalene with halogenated anions: annihilation of the CN···Hal interaction and stabilisation of conducting, antiferromagnetic square or chain-type salts","New J. Chem.","2001","25","11","1418","1424","10.1039/b104640n","","","0.71073","MoKα","","0.0538","0.0254","","","0.045","0.0505","","","","","","0.718","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051185","8.0545","0.0016","8.0611","0.0016","23.587","0.005","86.78","0.03","86.82","0.03","76.11","0.03","1482.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","(EDT-TTF-CN)2, (I3)","Bis(3-cyano -3',4'-ethylenedithiotetrathiafulvalene), triiodide","","- C18 H10 I3 N2 S12 -","- C18 I3 N2 S12 -","- C36 I6 N4 S24 -","2","1","","Thomas Devic; Josep N. Bertran; Benoît Domercq; Enric Canadell; Narcis Avarvari; Pascale Auban-Senzier; Marc Fourmigué","Cation radical salts of cyano(ethylenedithio)tetrathiafulvalene with halogenated anions: annihilation of the CN···Hal interaction and stabilisation of conducting, antiferromagnetic square or chain-type salts","New J. Chem.","2001","25","11","1418","1424","10.1039/b104640n","","","0.71073","MoKα","","0.0814","0.0359","","","0.1058","0.1326","","","","","","0.697","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051186","6.399","0.0013","28.687","0.006","11.222","0.002","90","","106.13","0.03","90","","1978.9","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","(EDT-TTF-CN), InBr4","3-cyano -3',4'-ethylenedithiotetrathiafulvalene, tetrabromoindate (III)","","- C9 H5 Br4 In N S6 -","- C9 H5 Br4 In N S6 -","- C36 H20 Br16 In4 N4 S24 -","4","1","","Thomas Devic; Josep N. Bertran; Benoît Domercq; Enric Canadell; Narcis Avarvari; Pascale Auban-Senzier; Marc Fourmigué","Cation radical salts of cyano(ethylenedithio)tetrathiafulvalene with halogenated anions: annihilation of the CN···Hal interaction and stabilisation of conducting, antiferromagnetic square or chain-type salts","New J. Chem.","2001","25","11","1418","1424","10.1039/b104640n","","","0.71073","MoKα","","0.0508","0.0276","","","0.0577","0.0611","","","","","","0.771","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051187","6.293","0.0013","28.506","0.006","11.126","0.002","90","","106.52","0.03","90","","1913.5","0.7","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","EDT-TTF-CN, FeBr4","3-cyano -3',4'-ethylenedithiotetrathiafulvalene, tetrabromoferrate (III)","","- C9 H5 Br4 Fe N S6 -","- C9 H5 Br4 Fe N S6 -","- C36 H20 Br16 Fe4 N4 S24 -","4","1","","Thomas Devic; Josep N. Bertran; Benoît Domercq; Enric Canadell; Narcis Avarvari; Pascale Auban-Senzier; Marc Fourmigué","Cation radical salts of cyano(ethylenedithio)tetrathiafulvalene with halogenated anions: annihilation of the CN···Hal interaction and stabilisation of conducting, antiferromagnetic square or chain-type salts","New J. Chem.","2001","25","11","1418","1424","10.1039/b104640n","","","0.71073","MoKα","","0.1397","0.0486","","","0.0938","0.1043","","","","","","1.637","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051188","7.7596","0.0016","8.325","0.0017","16.245","0.003","93.98","0.03","93.63","0.03","114.98","0.03","944","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","EDT-TTF-CN, AuBr4","3-cyano -3',4'-ethylenedithiotetrathiafulvalene, tetrabromoaurate (III)","","- C9 H5 Au Br4 N S6 -","- C9 H Au Br4 N S6 -","- C18 H2 Au2 Br8 N2 S12 -","2","1","","Thomas Devic; Josep N. Bertran; Benoît Domercq; Enric Canadell; Narcis Avarvari; Pascale Auban-Senzier; Marc Fourmigué","Cation radical salts of cyano(ethylenedithio)tetrathiafulvalene with halogenated anions: annihilation of the CN···Hal interaction and stabilisation of conducting, antiferromagnetic square or chain-type salts","New J. Chem.","2001","25","11","1418","1424","10.1039/b104640n","","","0.71073","MoKα","","0.0648","0.0445","","","0.1089","0.1139","","","","","","0.931","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051189","10.191","0.002","11.443","0.002","13.372","0.003","102.05","0.03","103.82","0.03","93.63","0.03","1470.3","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","(EDT-TTF-CN)2, Mo6Br14, (CH3CN)4","Bis (3-cyano -3',4'-ethylenedithiotetrathiafulvalene), hexabromo-octa-mu3-bromohexamolybdate (II), acetonitrile solvate","","- C26 H22 Br14 Mo6 N6 S12 -","- C26 H14 Br14 Mo6 N6 S12 -","- C26 H14 Br14 Mo6 N6 S12 -","1","0.5","","Thomas Devic; Josep N. Bertran; Benoît Domercq; Enric Canadell; Narcis Avarvari; Pascale Auban-Senzier; Marc Fourmigué","Cation radical salts of cyano(ethylenedithio)tetrathiafulvalene with halogenated anions: annihilation of the CN···Hal interaction and stabilisation of conducting, antiferromagnetic square or chain-type salts","New J. Chem.","2001","25","11","1418","1424","10.1039/b104640n","","","0.71073","MoKα","","0.0655","0.0273","","","0.0453","0.0511","","","","","","0.709","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051190","9.9799","0.001","11.3713","0.001","13.3427","0.001","101.938","0.01","104.094","0.01","93.366","0.01","1427.3","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","(EDT-TTF-CN)2, Mo6Cl8Br6, (CH3CN)4","Bis (3-cyano -3',4'-ethylenedithiotetrathiafulvalene), hexabromo-octa-mu3-chlorohexamolybdate (II), acetonitrile solvate","","- C13 H11 Br3 Cl4 Mo3 N3 S6 -","- C13 H7 Br3 Cl4 Mo3 N3 S6 -","- C26 H14 Br6 Cl8 Mo6 N6 S12 -","2","1","","Thomas Devic; Josep N. Bertran; Benoît Domercq; Enric Canadell; Narcis Avarvari; Pascale Auban-Senzier; Marc Fourmigué","Cation radical salts of cyano(ethylenedithio)tetrathiafulvalene with halogenated anions: annihilation of the CN···Hal interaction and stabilisation of conducting, antiferromagnetic square or chain-type salts","New J. Chem.","2001","25","11","1418","1424","10.1039/b104640n","","","0.71073","MoKα","","0.1705","0.0622","","","0.1788","0.2044","","","","","","1.163","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051192","22.273","0.0011","23.3463","0.0012","7.1583","0.0002","90","","93.96","0.003","90","","3713.4","0.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H64 Cu2 N24 O4 -","- C56 H64 Cu2 N24 O4.008 -","- C112 H128 Cu4 N48 O8.016 -","2","0.25","","Iwayan Dasna; Stéphane Golhen; Lahcène Ouahab; Nathalie Daro; Jean-Pascal Sutter","Synthesis, X-ray crystal structures and magnetic properties of CuII and MnII complexes containing imino nitroxide radicals and a dicyanamide anion","New J. Chem.","2001","25","12","1572","1576","10.1039/b104773f","","","0.71073","MoKα","","0.0805","0.0594","","","0.1931","0.2081","","","","","","1.056","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7051193","7.1089","0.0002","9.9495","0.0003","13.2518","0.0006","69.3961","0.0014","88.9996","0.0014","71.461","0.002","827.1","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H36 Mn N12 O4 -","- C28 H32 Mn N12 O4.07 -","- C28 H32 Mn N12 O4.07 -","1","0.5","","Iwayan Dasna; Stéphane Golhen; Lahcène Ouahab; Nathalie Daro; Jean-Pascal Sutter","Synthesis, X-ray crystal structures and magnetic properties of CuII and MnII complexes containing imino nitroxide radicals and a dicyanamide anion","New J. Chem.","2001","25","12","1572","1576","10.1039/b104773f","","","0.71073","MoKα","","0.0672","0.0462","","","0.1201","0.1378","","","","","","1.029","","","","has coordinates","180065","2020-10-21","18:00:00",""
"7051194","10.724","0.001","11.0215","0.0006","12.758","0.001","73.832","0.005","73.892","0.004","71.608","0.004","1344.24","0.18","296","1","296","1","","","","","","","","9","P -1","-P 1","2","","","","- C50 H40 Cl6 Fe2 N2 Ni O4 P2 S2 -","- C50 H40 Cl6 Fe2 N2 Ni O4 P2 S2 -","- C50 H40 Cl6 Fe2 N2 Ni O4 P2 S2 -","1","0.5","","Pinkas, Jiří; Bastl, Zdeněk; Šlouf, Miroslav; Podlaha, Jaroslav; Štěpnička, Petr","Preparation and solid-state characterization of nickel(II) complexes with 1'-(diphenylphosphino)ferrocenecarboxylic acid","New Journal of Chemistry","2001","25","9","1215","","10.1039/b104780a","","","0.71073","MoKα","","0.1196","0.0679","","","0.1645","0.192","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7051195","13.272","0.003","15.701","0.003","16.934","0.003","107","0.03","110.32","0.03","98.76","0.03","3035.2","1.6","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C63 H86 Cl F6 O4 P3 Ru -","- C63 H86 Cl F6 O4 P3 Ru -","- C126 H172 Cl2 F12 O8 P6 Ru2 -","2","1","","Jung, Stefan; Brandt, Carsten D.; Werner, Helmut","A cationic allenylideneruthenium(II) complex with two bulky hemilabile phosphine ligands","New Journal of Chemistry","2001","25","9","1101","","10.1039/b104787f","","","0.71073","MoKα","","0.091","0.0484","","","0.1093","0.1248","","","","","","0.87","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7051197","13.1254","0.0002","48.0683","0.0007","12.8677","0.0002","90","","90","","90","","8118.4","0.2","110","2","110","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C82 H74 Cl5 Cu3 N9 O21 -","- C82 H74 Cl5 Cu3 N9 O21 -","- C328 H296 Cl20 Cu12 N36 O84 -","4","1","","Patra, Goutam K.; Goldberg, Israel; Chowdhury, Sanjoy K.; Maiti, Bikas C.; Sarkar, Amitabha; Bangal, Prakriti R.; Chakravorti, Sankar; Chattopadhyay, Nitin; Tocher, Derek A.; Drew, Michael G. B.; Mostafa, Golam; Chowdhury, Shubhamoy; Datta, Dipankar","A new photoluminescent CuI2N6 chromophore","New Journal of Chemistry","2001","25","11","1371","","10.1039/b105442m","","","0.7107","MoKα","","0.0878","0.0514","","","0.1123","0.1283","","","","","","1.022","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051198","16.6277","0.0016","8.2069","0.0007","15.1464","0.0016","90","","116.113","0.011","90","","1855.9","0.4","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C92 H88 N8 O8 -","4","1","","Uznanski, Pawel; Amiens, Catherine; Donnadieu, Bruno; Coppel, Yannick; Chaudret, Bruno","Oxidation of photochromic spirooxazines by coinage metal cations. Part I. Reaction with AgNO3: formation and characterisation of silver particles","New Journal of Chemistry","2001","25","12","1486","1494","10.1039/b105446p","","","0.71073","MoKα","","0.059","0.0403","","","0.0932","0.1023","","","","","","1.01","","","","has coordinates","275230","2022-05-08","23:08:07",""
"7051199","27.659","0.003","8.4635","0.0011","16.5591","0.0017","90","","100.371","0.012","90","","3813","0.8","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 N2 O2 -","- C23 H22 N2 O2 -","- C184 H176 N16 O16 -","8","1","","Uznanski, Pawel; Amiens, Catherine; Donnadieu, Bruno; Coppel, Yannick; Chaudret, Bruno","Oxidation of photochromic spirooxazines by coinage metal cations. Part I. Reaction with AgNO3: formation and characterisation of silver particles","New Journal of Chemistry","2001","25","12","1486","1494","10.1039/b105446p","","","0.71073","MoKα","","0.1192","0.0471","","","0.1156","0.1527","","","","","","0.94","","","","has coordinates","275230","2022-05-08","23:08:07",""
"7051200","13.45","0.003","20.456","0.004","7.667","0.002","90","","96.61","0.03","90","","2095.4","0.8","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 N2 O2 -","- C27 H24 N2 O2 -","- C108 H96 N8 O8 -","4","1","","Uznanski, Pawel; Amiens, Catherine; Donnadieu, Bruno; Coppel, Yannick; Chaudret, Bruno","Oxidation of photochromic spirooxazines by coinage metal cations. Part I. Reaction with AgNO3: formation and characterisation of silver particles","New Journal of Chemistry","2001","25","12","1486","1494","10.1039/b105446p","","","0.71073","MoKα","","0.1302","0.0603","","","0.1441","0.1799","","","","","","0.902","","","","has coordinates","275230","2022-05-08","23:08:07",""
"7051201","10.3622","0.0009","15.331","0.0015","13.5407","0.0012","90","","103.856","0.01","90","","2088.5","0.3","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 N3 O4 -","- C24 H23 N3 O4 -","- C96 H92 N12 O16 -","4","1","","Uznanski, Pawel; Amiens, Catherine; Donnadieu, Bruno; Coppel, Yannick; Chaudret, Bruno","Oxidation of photochromic spirooxazines by coinage metal cations. Part I. Reaction with AgNO3: formation and characterisation of silver particles","New Journal of Chemistry","2001","25","12","1486","1494","10.1039/b105446p","","","0.71073","MoKα","","0.0523","0.0399","","","0.1011","0.1088","","","","","","1.018","","","","has coordinates","275230","2022-05-08","23:08:07",""
"7051202","12.5891","0.0016","13.6746","0.0015","14.2577","0.0018","114.178","0.013","97.965","0.015","98.965","0.014","2155.3","0.6","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H18 Au Cl3 N O -","- C22 H18 Au Cl3 N2 O -","- C88 H72 Au4 Cl12 N8 O4 -","4","2","","Pawel Uznanski; Catherine Amiens; Manuel Bardaji; Bruno Donnadieu; Yannick Coppel; Bruno Chaudret; Antonio Laguna","Oxidation of photochromic spirooxazines by coinage metal cations. Part II. Oxidation by gold(III) compounds and synthesis of gold colloids","New J. Chem.","2001","25","12","1495","1499","10.1039/b105447n","","","0.71073","MoKα","","0.0777","0.0364","","","0.0648","0.0737","","","","","","0.873","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051203","6.81","0.001","18.326","0.001","7.39","0.001","90","","100.35","0.01","90","","907.27","0.19","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","perfluoronaphthalene anthracene complex (1:1)","","- C24 H10 F8 -","- C24 H10 F8 -","- C48 H20 F16 -","2","0.5","","Collings, Jonathan C.; Roscoe, Karl P.; Thomas, Rhodri Ll.; Batsanov, Andrei S.; Stimson, Lorna M.; Howard, Judith A. K.; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering. Part 3. Single-crystal structures of 1 : 1 complexes of octafluoronaphthalene with fused-ring polyaromatic hydrocarbons","New Journal of Chemistry","2001","25","11","1410","1417","10.1039/b105502j","","","0.71073","MoKα","","0.0953","0.0401","","","0.0741","0.086","","","","","","0.932","","","","has coordinates","219075","2020-10-21","18:00:00",""
"7051204","6.776","0.002","18.18","0.006","7.666","0.003","90","","102.45","0.01","90","","922.1","0.5","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","perfluoronaphthalene phenanthrene complex (1:1)","","- C24 H10 F8 -","- C24 H10 F8 -","- C48 H20 F16 -","2","0.5","","Collings, Jonathan C.; Roscoe, Karl P.; Thomas, Rhodri Ll.; Batsanov, Andrei S.; Stimson, Lorna M.; Howard, Judith A. K.; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering. Part 3. Single-crystal structures of 1 : 1 complexes of octafluoronaphthalene with fused-ring polyaromatic hydrocarbons","New Journal of Chemistry","2001","25","11","1410","1417","10.1039/b105502j","","","0.71073","MoKα","","0.1003","0.0492","","","0.1095","0.1302","","","","","","1.011","","","","has coordinates","219075","2020-10-21","18:00:00",""
"7051205","6.725","0.001","8.864","0.001","9.488","0.001","107.51","0.01","105.23","0.01","106.82","0.01","476.9","0.12","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","perfluoronaphthalene pyrene complex (1:1)","","- C26 H10 F8 -","- C26 H10 F8 -","- C26 H10 F8 -","1","0.5","","Collings, Jonathan C.; Roscoe, Karl P.; Thomas, Rhodri Ll.; Batsanov, Andrei S.; Stimson, Lorna M.; Howard, Judith A. K.; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering. Part 3. Single-crystal structures of 1 : 1 complexes of octafluoronaphthalene with fused-ring polyaromatic hydrocarbons","New Journal of Chemistry","2001","25","11","1410","1417","10.1039/b105502j","","","0.71073","MoKα","","0.0771","0.0442","","","0.1017","0.1153","","","","","","1.014","","","","has coordinates","219075","2020-10-21","18:00:00",""
"7051206","7.132","0.004","10.122","0.002","14.614","0.005","90","","102.22","0.02","90","","1031.1","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H14 N8 Ni -","- C5 H14 N8 Ni -","- C20 H56 N32 Ni4 -","4","1","","Montserrat Monfort; Inmaculada Resino; Joan Ribas; Xavier Solans; Mercé Font-Bardia","Synthesis of N3−/SCN− bridged polynuclear complexes of nickel(II) using N,N,N'-trimethylethane-1,2-diamine as a blocking ligand: low temperature magnetic study and single crystal structure of [Ni(μ1,1-N3)(μ1,3-N3)(N,N,N'-Me3en)]n","New J. Chem.","2001","25","12","1577","1582","10.1039/b105770g","","","0.71069","MoKα","","0.1373","0.0504","","0.1395","0.1008","","","","1.005","1.07","1.07","","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051207","12.698","0.002","10.1097","0.0014","15.698","0.005","90","","90","","90","","2015.2","0.8","293","2","293","2","","","","","","","","7","P c a 21","P 2c -2ac","29","","","","- C10 H28 F6 N5 Ni O2 P -","- C10 H28 F6 N5 Ni O2 P -","- C40 H112 F24 N20 Ni4 O8 P4 -","4","1","","Montserrat Monfort; Inmaculada Resino; Joan Ribas; Xavier Solans; Mercé Font-Bardia","Synthesis of N3−/SCN− bridged polynuclear complexes of nickel(II) using N,N,N'-trimethylethane-1,2-diamine as a blocking ligand: low temperature magnetic study and single crystal structure of [Ni(μ1,1-N3)(μ1,3-N3)(N,N,N'-Me3en)]n","New J. Chem.","2001","25","12","1577","1582","10.1039/b105770g","","","0.71069","MoKα","","0.0434","0.0372","","0.1184","0.0945","","","","1.057","1.078","1.078","","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051208","12.8728","0.0011","15.8948","0.0012","18.2031","0.0014","90","","90","","90","","3724.5","0.5","153","2","153","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C36 H54 Cu F6 N2 O3 P -","- C36 H54 Cu F6 N2 O3 P -","- C144 H216 Cu4 F24 N8 O12 P4 -","4","1","","Fraysse, Sandrine; von Zelewsky, Alex; Stoeckli-Evans, Helen","A stable chiral diolefin complex of CuI with predetermined configuration at the metal centre","New Journal of Chemistry","2001","25","11","1374","","10.1039/b105870n","","","0.71073","MoKα","","0.1819","0.0567","","","0.0816","0.1123","","","","","","0.65","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051209","8.213","0.0004","9.912","0.0004","11.531","0.0005","98.303","0.002","94.06","0.003","96.414","0.002","919.44","0.07","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","2,3,7-Triphenylcyclopenta[c]pyran","","- C26 H18 O -","- C26 H18 O -","- C52 H36 O2 -","2","1","","Banciu, Mircea D.; Castellano, Eduardo E.; Ellena, Javier; Haiduc, Ionel; Draghici, Constantin; Balaban, Alexandru T.","Serendipitous, one-pot formation of 2,3,7-triphenylcyclopenta[c]pyran from 1,2-diphenylethanedione (“benzil”) and cyclopentadiene","New Journal of Chemistry","2001","25","11","1472","","10.1039/b105878a","","x-ray","0.7107","MoKα","","0.0671","0.0471","","","0.125","0.1548","","","","","","1.113","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051210","20.72","0.02","19.67","0.03","12.796","0.015","90","","101.478","0.01","90","","5111","11","293","2","293","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C91 H118 Cl6 O16 S8 -","- C91 H104 Cl6 O16 S8 -","- C182 H208 Cl12 O32 S16 -","2","0.25","","Matthews, Susan E.; Felix, Vitor; Drew, Michael G. B.; Beer, Paul D.","Thiacalix[4]tube: synthesis, X-ray crystal structure and preliminary binding studies Electronic supplementary information (ESI) available: full experimental details, including synthesis and characterisation of 4 and 5, and the crystallographic study of 6. See http://www.rsc.org/suppdata/nj/b1/b106094p/","New Journal of Chemistry","2001","25","11","1355","","10.1039/b106094p","","","0.71073","MoKα","","0.2254","0.1054","","","0.2868","0.3628","","","","","","0.921","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7051211","10.145","0.004","10.82","0.004","16.051","0.009","90","","96.949","0.005","90","","1749","1.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N4 -","- C19 H25 N4 -","- C76 H100 N16 -","4","1","","Olivier Maury; Jean-Paul Guégan; Thierry Renouard; Adam Hilton; Philippe Dupau; Nicolas Sandon; Loïc Toupet; Hubert Le Bozec","Design and synthesis of 4,4'-π-conjugated[2,2']-bipyridines: a versatile class of tunable chromophores and fluorophores","New J. Chem.","2001","25","12","1553","1566","10.1039/b106096c","","","0.71069","MoKα","","0.1568","0.0521","","","0.1378","0.1732","","","","","","0.946","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051212","11.915","0.003","12.05","0.004","13.544","0.002","105.67","0.02","99.141","0.01","93.4","0.02","1837.8","0.8","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C84 H108 N8 -","- C83 H106 N8 -","- C83 H106 N8 -","1","1","","Olivier Maury; Jean-Paul Guégan; Thierry Renouard; Adam Hilton; Philippe Dupau; Nicolas Sandon; Loïc Toupet; Hubert Le Bozec","Design and synthesis of 4,4'-π-conjugated[2,2']-bipyridines: a versatile class of tunable chromophores and fluorophores","New J. Chem.","2001","25","12","1553","1566","10.1039/b106096c","","","0.71069","MoKα","","0.2044","0.0776","","","0.2287","0.3179","","","","","","0.928","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051213","7.309","0.003","7.698","0.005","25.101","0.007","90","","92.13","0.02","90","","1411.3","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 N3 -","- C16 H18 N3 -","- C64 H72 N12 -","4","1","","Olivier Maury; Jean-Paul Guégan; Thierry Renouard; Adam Hilton; Philippe Dupau; Nicolas Sandon; Loïc Toupet; Hubert Le Bozec","Design and synthesis of 4,4'-π-conjugated[2,2']-bipyridines: a versatile class of tunable chromophores and fluorophores","New J. Chem.","2001","25","12","1553","1566","10.1039/b106096c","","","0.71069","MoKα","","0.2724","0.0633","","","0.1429","0.2056","","","","","","0.896","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051214","7.2313","0.0012","8.9917","0.0015","9.4175","0.0016","84.667","0.003","81.705","0.003","73.315","0.003","579.57","0.17","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H8 Br Cu N2 -","- C12 H8 Br Cu N2 -","- C24 H16 Br2 Cu2 N4 -","2","1","","Bosch, Eric; Barnes, Charles L.","Crystal structure of kinetic and thermodynamic coordination networks formed between 3,3′-dipyridylethyne and copper bromide","New Journal of Chemistry","2001","25","11","1376","","10.1039/b106221m","","","0.71073","MoKα","","0.0566","0.0462","","","0.1178","0.1246","","","","","","1.032","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051215","8.582","0.0007","17.6497","0.0013","7.3216","0.0006","90","","91.72","0.002","90","","1108.5","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Br Cu N2 -","- C12 H8 Br Cu N2 -","- C48 H32 Br4 Cu4 N8 -","4","1","","Bosch, Eric; Barnes, Charles L.","Crystal structure of kinetic and thermodynamic coordination networks formed between 3,3′-dipyridylethyne and copper bromide","New Journal of Chemistry","2001","25","11","1376","","10.1039/b106221m","","","0.71073","MoKα","","0.0527","0.0342","","","0.0785","0.085","","","","","","1.056","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7051216","8.157","0.004","19.586","0.011","7.404","0.002","90","","92.8","0.03","90","","1181.5","0.9","298","2","298","2","","","","","","","see Experimental","5","P 1 21/c 1","-P 2ybc","14","Silver Assembly","","","- C12 H8.5 Ag1.5 N2 O4 -","- C12 H8.5 Ag1.5 N2 O4 -","- C48 H34 Ag6 N8 O16 -","4","1","","Briccyle Cova; Alexander Briceño; Reinaldo Atencio","An unusual harmonisation of metal-based assemblies to achieve a mesoporous solid. Synthesis and crystal structure of a new silver(I) isonicotinate array","New J. Chem.","2001","25","12","1516","1519","10.1039/b106297m","","","0.71069","MoKα","","0.0215","0.0203","","0.0527","0.052","","","","1.184","1.195","1.195","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7051219","13.0362","0.0006","8.7731","0.0004","16.834","0.0006","90","","107.289","0.002","90","","1838.28","0.14","200","","200","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","[Cd(L2)2(MeOH)2](ClO4)2","","- C32 H40 Cd Cl2 N8 O10 -","- C32 H40 Cd Cl2 N8 O10 -","- C64 H80 Cd2 Cl4 N16 O20 -","2","0.5","","Sui, Bin; Fan, Jian; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Anion exchange properties of a two-dimensional coordination framework of cadmium(II) with 1,3-bis(imidazol-1-ylmethyl)-5-methylbenzene","New Journal of Chemistry","2001","25","11","1379","1381","10.1039/b106750h","","","0.71069","MoKα","","0.0484","0.0355","","","0.0886","0.0918","","","","","","1.008","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051220","17.405","0.004","11.06","0.002","8.286","0.0017","90","","101.83","0.03","90","","1561.2","0.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 N4 O2 -","- C15 H20 N4 O2 -","- C60 H80 N16 O8 -","4","0.5","","Sui, Bin; Fan, Jian; Okamura, Taka-aki; Sun, Wei-Yin; Ueyama, Norikazu","Anion exchange properties of a two-dimensional coordination framework of cadmium(II) with 1,3-bis(imidazol-1-ylmethyl)-5-methylbenzene","New Journal of Chemistry","2001","25","11","1379","1381","10.1039/b106750h","","","0.71073","MoKα","","0.0685","0.0441","","","0.1177","0.1322","","","","","","1.011","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051221","18.112","0.01","10.86","0.005","23.781","0.01","90","","90","","90","","4678","4","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C14 H27 Ag2 Cl2 N9 O8 -","- C14 H27 Ag2 Cl2 N9 O8 -","- C112 H216 Ag16 Cl16 N72 O64 -","8","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Chen, Xiao-Ming","Four two-dimensional highly undulating silver(I)–hexamethylenetetramine co-ordination networks containing micropores","New Journal of Chemistry","2001","25","11","1425","","10.1039/b107193a","","","0.71073","MoKα","","0.0946","0.0492","","","0.108","0.1289","","","","","","1.035","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051222","11.488","0.003","10.395","0.003","19.527","0.007","90","","90","","90","","2331.9","1.2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C9 H15 Ag N4 O4 -","- C9 H15 Ag N4 O4 -","- C72 H120 Ag8 N32 O32 -","8","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Chen, Xiao-Ming","Four two-dimensional highly undulating silver(I)–hexamethylenetetramine co-ordination networks containing micropores","New Journal of Chemistry","2001","25","11","1425","","10.1039/b107193a","","","0.71073","MoKα","","0.0738","0.0527","","","0.1384","0.154","","","","","","1.011","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051223","11.717","0.004","11.741","0.006","10.478","0.007","90","","90","","90","","1441.5","1.3","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H19 Ag N4 O3 -","- C13 H19 Ag N4 O3 -","- C52 H76 Ag4 N16 O12 -","4","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Chen, Xiao-Ming","Four two-dimensional highly undulating silver(I)–hexamethylenetetramine co-ordination networks containing micropores","New Journal of Chemistry","2001","25","11","1425","","10.1039/b107193a","","","0.71073","MoKα","","0.0612","0.0523","","","0.1319","0.1404","","","","","","1.03","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051224","11.62","0.006","10.807","0.005","23.145","0.012","90","","90","","90","","2906","3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C13 H19 Ag N4 O4 -","- C13 H19 Ag N4 O4 -","- C104 H152 Ag8 N32 O32 -","8","1","","Zheng, Shao-Liang; Tong, Ming-Liang; Zhu, Hai-Liang; Chen, Xiao-Ming","Four two-dimensional highly undulating silver(I)–hexamethylenetetramine co-ordination networks containing micropores","New Journal of Chemistry","2001","25","11","1425","","10.1039/b107193a","","","0.71073","MoKα","","0.1137","0.0566","","","0.1149","0.1362","","","","","","1.024","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051225","11.2163","0.0013","9.612","0.0012","12.786","0.002","90","","91.796","0.006","90","","1377.8","0.3","223","2","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","Rhodizonic acid dihydrate","","","- C6 H6 O8 -","- C6 H6 O8 -","- C48 H48 O64 -","8","1","","Braga, Dario; Cojazzi, Gianna; Maini, Lucia; Grepioni, Fabrizia","Reversible solid-state interconversion of rhodizonic acid H2C6O6 into H6C6O8 and the solid-state structure of the rhodizonate dianion C6O62‒ (aromatic or non-aromatic?)","New Journal of Chemistry","2001","25","10","1221","","10.1039/b107317f","","","0.71073","MoKα","","0.1436","0.0592","","","0.1194","0.1462","","","","","","0.73","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7051226","12.522","0.004","8.354","0.004","3.761","0.003","90","","96.93","0.05","90","","390.6","0.4","223","2","223","2","","","","","","","","3","C 1 2/m 1","-C 2y","12","Rubidium rhodizonate","","","- C6 O6 Rb2 -","- C6 O6 Rb2 -","- C12 O12 Rb4 -","2","0.25","","Braga, Dario; Cojazzi, Gianna; Maini, Lucia; Grepioni, Fabrizia","Reversible solid-state interconversion of rhodizonic acid H2C6O6 into H6C6O8 and the solid-state structure of the rhodizonate dianion C6O62‒ (aromatic or non-aromatic?)","New Journal of Chemistry","2001","25","10","1221","","10.1039/b107317f","","","0.71073","MoKα","","0.0545","0.0374","","","0.1006","0.1061","","","","","","1.003","","","","has coordinates","180066","2020-10-21","18:00:00",""
"7051228","15.246","0.003","22.372","0.004","21.359","0.004","90","","100.2","0.03","90","","7170","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H30 Cl2 Cu N6 O11 -","- C36 H30 Cl2 Cu N6 O11 -","- C288 H240 Cl16 Cu8 N48 O88 -","8","2","","Tong, Ming-Liang; Wu, Ying-Miao; Zheng, Shao-Liang; Chen, Xiao-Ming; Yuen, Tan; Lin, Chuan-Long; Huang, Xiaoying; Li, Jing","A three-dimensional honeycomb-like network constructed with novel one-dimensional S-shaped chains via hydrogen bonding and π‒π interactions","New Journal of Chemistry","2001","25","12","1482","1485","10.1039/b107655h","","","0.71073","MoKα","","0.1111","0.0487","","","0.1278","0.1584","","","","","","0.968","","","","has coordinates","180544","2020-10-21","18:00:00",""
"7052468","11.8719","0.0015","7.8232","0.0012","12.9433","0.0016","90","","99.176","0.015","90","","1186.7","0.3","213","2","213","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O2 -","- C15 H10 N2 O2 -","- C60 H40 N8 O8 -","4","1","","Eastmond, Geoffrey C.; Gilchrist, Thomas L.; Paprotny, Jerzy; Steiner, Alexander","Cyano-activated fluoro displacement reactions in the synthesis of cyanophenoxazines and related compounds","New Journal of Chemistry","2001","25","3","385","","10.1039/b008503k","","","0.71073","MoKα","","0.1212","0.1113","","","0.2915","0.2972","","","","","","1.131","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052469","27.732","0.006","7.833","0.002","19.416","0.004","90","","106.8","0.03","90","","4037.6","1.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H7 N O2 -","- C13 H7 N O2 -","- C208 H112 N16 O32 -","16","2","","Eastmond, Geoffrey C.; Paprotny, Jerzy; Steiner, Alexander; Swanson, Linda","Synthesis of cyanodibenzo[1,4]dioxines and their derivatives by cyano-activated fluoro displacement reactions","New Journal of Chemistry","2001","25","3","379","","10.1039/b008508l","","","0.71073","MoKα","","0.1394","0.0464","","","0.0927","0.1124","","","","","","0.661","","","","has coordinates","180078","2020-10-21","18:00:00",""
"7052470","10.6409","0.0015","5.9763","0.0007","16.382","0.002","90","","102.504","0.017","90","","1017.1","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H6 F N O4 -","- C12 H6 F N O4 -","- C48 H24 F4 N4 O16 -","4","1","","Eastmond, Geoffrey C.; Paprotny, Jerzy; Steiner, Alexander; Swanson, Linda","Synthesis of cyanodibenzo[1,4]dioxines and their derivatives by cyano-activated fluoro displacement reactions","New Journal of Chemistry","2001","25","3","379","","10.1039/b008508l","","","0.71073","MoKα","","0.051","0.0373","","","0.102","0.1089","","","","","","1.021","","","","has coordinates,has disorder","180078","2020-10-21","18:00:00",""
"7052471","9.2675","0.0003","8.1573","0.0003","13.8649","0.0005","90","","102.968","0.001","90","","1021.42","0.06","130","1","130","1","","","","","","","","4","P 1 21 1","P 2yb","4","","7,7-di(S(+)-2-(methoxy)pyrrolidino)-8,8-dicyanoquinodimethane","","- C22 H28 N4 O2 -","- C22 H28 N4 O2 -","- C44 H56 N8 O4 -","2","1","","Srinivasa Gopalan, R.; Kulkarni, Giridhar U.; Ravi, M.; Rao, C. N. R.","A charge density study of an intramolecular charge-transfer quinoid compound with strong NLO properties","New Journal of Chemistry","2001","25","9","1108","","10.1039/b103117c","","","0.71073","MoKα","","0.2382","0.1383","","0.2175","0.1803","","","","1.632","1.835","1.835","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7052472","6.923","0.002","17.925","0.003","8.08","0.003","90","","104.39","0.01","90","","971.2","0.5","295","2","295","2","","","","","","","","3","I2/m","","","","perfluoronaphthalene phenanthrene complex (1:1)","","- C24 H10 F8 -","","","2","","","Collings, Jonathan C.; Roscoe, Karl P.; Thomas, Rhodri Ll.; Batsanov, Andrei S.; Stimson, Lorna M.; Howard, Judith A. K.; Marder, Todd B.","Arene-perfluoroarene interactions in crystal engineering. Part 3. Single-crystal structures of 1 : 1 complexes of octafluoronaphthalene with fused-ring polyaromatic hydrocarbons","New Journal of Chemistry","2001","25","11","1410","1417","10.1039/b105502j","","","0.71073","MoKα","","","","","","","","","","","","","","","","","","219075","2020-10-21","18:00:00",""
"7052473","22.9235","0.0007","9.9309","0.0005","12.8363","0.0007","90","0.01","101.078","0.003","90","0.01","2867.7","0.2","298","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H38 N4 O2 -","- C33 H38 N4 O2 -","- C132 H152 N16 O8 -","4","1","","Baouid, Abdesselam; Elhazazi, Saïd; Hasnaoui, Aïssa; Compain, Philippe; Lavergne, Jean-Pierre; Huet, François","Highly peri-, regio- and diastereoselective 1,3-dipolar cycloaddition of mesitonitrile oxide to 1,7-dimethyl-2,3-dihydro-1H-1,4-diazepines: unexpected one-step formation of a new triheterocyclic framework","New Journal of Chemistry","2001","25","12","1479","1481","10.1039/B107409C","","","0.71073","MoKα","","","0.073","","","","0.083","","","","","","1.575","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7052475","7.9346","0.0004","18.6728","0.0009","13.9672","0.0007","90","","104.485","0.003","90","","2003.62","0.17","80","2","80","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H27 Au Cl4 O8 -","- C10 H27 Au Cl4 O8 -","- C40 H108 Au4 Cl16 O32 -","4","1","","Calleja, Maria; Mason, Sax A.; Paul D. Prince; Steed, Jonathan W.; Wilkinson, Clive","Single crystal neutron and X-ray diffraction studies of (H7O3)[AuCl4]·15-crown-5","New Journal of Chemistry","2001","25","12","1475","1478","10.1039/B108935H","","neutron","1.2316","neutron","","0.0508","0.0381","","","0.0804","0.0851","","","","","","1.078","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7052476","7.9441","0.0007","18.6964","0.0016","13.9886","0.001","90","","104.347","0.003","90","","2012.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H27 Au Cl4 O8 -","- C10 H27 Au Cl4 O8 -","- C40 H108 Au4 Cl16 O32 -","4","1","","Calleja, Maria; Mason, Sax A.; Paul D. Prince; Steed, Jonathan W.; Wilkinson, Clive","Single crystal neutron and X-ray diffraction studies of (H7O3)[AuCl4]·15-crown-5","New Journal of Chemistry","2001","25","12","1475","1478","10.1039/B108935H","","","0.71073","MoKα","","0.0462","0.0358","","","0.0789","0.083","","","","","","1.107","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7052515","11.88","0.0009","15.0636","0.0012","20.7172","0.0017","93.716","0.002","93.872","0.002","107.226","0.002","3519.1","0.5","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C77 H66 Al N O8 Si6 -","- C77 H66 Al N O8 Si6 -","- C154 H132 Al2 N2 O16 Si12 -","2","1","","Gun'ko, Yurii K.; Reilly, Roisin; Kessler, Vadim G.","A convenient route to anionic and cyclic aluminosiloxanes: crystal structures of [PyH][Al{OSiPh2(OSiPh2)2O}2] and the first twelve-membered organic aluminosilicate Al2Si4O6 ring","New Journal of Chemistry","2001","25","4","528","530","10.1039/b009556g","","","0.71073","MoKα","","0.115","0.054","","","0.1125","0.1284","","","","","","0.925","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052516","14.275","0.004","16.322","0.004","16.56","0.004","90","","113.911","0.006","90","","3527.3","1.6","295","2","295","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C60 H64 Al2 Cl2 O7 Si4 -","- C64 Al2 Cl2 O10 Si4 -","- C128 Al4 Cl4 O20 Si8 -","2","0.5","","Gun'ko, Yurii K.; Reilly, Roisin; Kessler, Vadim G.","A convenient route to anionic and cyclic aluminosiloxanes: crystal structures of [PyH][Al{OSiPh2(OSiPh2)2O}2] and the first twelve-membered organic aluminosilicate Al2Si4O6 ring","New Journal of Chemistry","2001","25","4","528","","10.1039/b009556g","","","0.71073","MoKα","","0.1696","0.0782","","","0.1792","0.2024","","","","","","1.151","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052517","26.559","0.003","6.373","0.001","8.079","0.001","90","","90","","90","","1367.5","0.3","569.4","","569.4","","","","","","","","","4","P n m a","-P 2ac 2n","62","(1,2-dihydro-N-tolyl-4,6-dimethylpyrimidin-2-ones) HNO3 salt","","","- C13 H15 N3 O4 -","- C8.5 H12.5 N1.5 O2 -","- C34 H50 N6 O8 -","4","0.5","","","Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics","New Journal of Chemistry","2001","25","12","1520","","10.1039/b104646m","","","0.7107","MoKα","","0.0644","0.064","","0.061","","0.061","","","3.835","","","3.83","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7052518","26.88","0.003","6.348","0.001","8.102","0.001","90","","90","","90","","1382.5","0.3","296.2","","296.2","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H12 Cl N3 O4 -","- C12 H12 Cl N3 O4 -","- C48 H48 Cl4 N12 O16 -","4","0.5","","","Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics","New Journal of Chemistry","2001","25","12","1520","","10.1039/b104646m","","","0.7107","MoKα","","0.0593","0.059","","0.063","","0.063","","","2.895","","","2.9","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052519","6.801","0.001","12.199","0.001","7.327","0.001","90","","90","","90","","607.89","0.13","296.2","","296.2","","","","","","","","Local laboratory","5","P m n 21","P 2ac -2","31","","","","- C12 H13 Cl N2 O -","- C12 H13 Cl N2 O -","- C24 H26 Cl2 N4 O2 -","2","0.5","","","Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics","New Journal of Chemistry","2001","25","12","1520","","10.1039/b104646m","","","0.7107","MoKα","","0.0398","0.04","","0.052","","0.052","","","2.008","","","2.01","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7052520","7.3047","0.0007","6.7669","0.0006","13.444","0.002","90","","105.59","0.01","90","","640.09","0.13","296.2","","296.2","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C13 H15 Cl N2 O -","- C13 H15 Cl N2 O -","- C26 H30 Cl2 N4 O2 -","2","0.5","","","Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics","New Journal of Chemistry","2001","25","12","1520","","10.1039/b104646m","","","0.7107","MoKα","","0.0365","0.037","","0.043","","0.043","","","3.015","","","3.02","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7052521","7.313","0.001","6.668","0.002","13.644","0.002","90","","105.23","0.01","90","","642","0.2","296.2","","296.2","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C12 H12 Cl2 N2 O -","- C8 H10 Cl N O0.5 -","- C16 H20 Cl2 N2 O -","2","0.5","","","Crystal engineering of neutral N-arylpyrimidinones and their HCl and HNO3 adducts with a C‒H⋯O supramolecular synthon. Implications for non-linear optics","New Journal of Chemistry","2001","25","12","1520","","10.1039/b104646m","","","0.7107","MoKα","","0.0384","0.038","","0.041","","0.041","","","2.693","","","2.69","","","","has coordinates","180079","2020-10-21","18:00:00",""
"7209360","4.58","","4.58","","10.69","","90","","90","","90","","224.238","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ba Ag2 Ge2","","- Ag2 Ba Ge2 -","- Ag2 Ba Ge2 -","- Ag4 Ba2 Ge4 -","2","0.0625","","Winter, J.; Eisenmann, B.; Weiss, A.; May, N.; Ziegleder, G.; Schaefer, H.; Mueller, W.","Neue Vertreter des Th Cr2 Si2 -Typs und dessen Verwandtschaft zum Anti-PbFCl-Gitter","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","1350","1352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209366","4.33","","4.33","","10.93","","90","","90","","90","","204.925","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca Ag2 Ge2","","- Ag2 Ca Ge2 -","- Ag2 Ca Ge2 -","- Ag4 Ca2 Ge4 -","2","0.0625","","Ziegleder, G.; Winter, J.; Schaefer, H.; Mueller, W.; Weiss, A.; May, N.; Eisenmann, B.","Neue Vertreter des Th Cr2 Si2 -Typs und dessen Verwandtschaft zum Anti-PbFCl-Gitter","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","1350","1352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7209368","4.45","","4.45","","10.85","","90","","90","","90","","214.857","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Sr Ag2 Ge2","","- Ag2 Ge2 Sr -","- Ag2 Ge2 Sr -","- Ag4 Ge4 Sr2 -","2","0.0625","","May, N.; Ziegleder, G.; Schaefer, H.; Eisenmann, B.; Weiss, A.; Winter, J.; Mueller, W.","Neue Vertreter des Th Cr2 Si2 -Typs und dessen Verwandtschaft zum Anti-PbFCl-Gitter","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","1350","1352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7221169","4.02","","4.02","","4.02","","90","","90","","90","","64.965","","","","","","","","","","","","","3","P m -3 m","-P 4 2 3","221","","(Hg2 Zn) Ti","","- Hg2 Ti Zn -","- Hg2.01 Ti Zn0.99 -","- Hg2.01 Ti Zn0.99 -","1","0.0208333","","Puselj, M.; Ban, Z.","X-ray studies in the system Ti-Hg-Zn","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1970","25","","315","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7221170","2.93","","2.93","","4.04","","90","","90","","90","","34.683","","","","","","","","","","","","","3","P 4/m m m","-P 4 2","123","","Hg (Ti0.75 Zn0.25)","","- Hg Ti0.75 Zn0.25 -","- Hg Ti0.75 Zn0.25 -","- Hg Ti0.75 Zn0.25 -","1","0.0625","","Puselj, M.; Ban, Z.","X-ray studies in the system Ti-Hg-Zn","Zeitschrift fuer Naturforschung, Teil A. Physikalische Chemie, Kosmophysik (2,1947-32,1977)","1970","25","","315","315","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222654","4.65","","4.65","","11.09","","90","","90","","90","","239.794","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ba Mg2 Si2 -","- Ba Mg2 Si2 -","- Ba2 Mg4 Si4 -","2","0.0625","","Eisenmann, B.; Winter, J.; Mueller, W.; May, N.; Schaefer, H.; Weiss, A.; Ziegleder, G.","Neue Vertreter des Th Cr2 Si2 -Typs und dessen Verwandtschaft zum Anti-PbFCl-Gitter","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","1350","1352","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222655","4.67","","4.67","","11.33","","90","","90","","90","","247.095","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ba Mg2 Ge2","","- Ba Ge2 Mg2 -","- Ba Ge2 Mg2 -","- Ba2 Ge4 Mg4 -","2","0.0625","","Eisenmann, B.; May, N.; Schaefer, H.; Mueller, W.; Weiss, A.; Winter, J.; Ziegleder, G.","Neue Vertreter des Th Cr2 Si2 -Typs und dessen Verwandtschaft zum Anti-PbFCl-Gitter","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","1350","1352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222656","4.2","","4.2","","10","","90","","90","","90","","176.4","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Sr Cu2 Si2","","- Cu2 Si2 Sr -","- Cu2 Si2 Sr -","- Cu4 Si4 Sr2 -","2","0.0625","","Eisenmann, B.; May, N.; Mueller, W.; Weiss, A.; Schaefer, H.; Winter, J.; Ziegleder, G.","Neue Vertreter des Th Cr2 Si2 -Typs und dessen Verwandtschaft zum Anti-PbFCl-Gitter","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","1350","1352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222657","4.04","","4.04","","10","","90","","90","","90","","163.216","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","","","- Ca Cu2 Si2 -","- Ca Cu2 Si2 -","- Ca2 Cu4 Si4 -","2","0.0625","","Eisenmann, B.; Mueller, W.; May, N.; Ziegleder, G.; Schaefer, H.; Winter, J.; Weiss, A.","Neue Vertreter des Th Cr2 Si2 -Typs und dessen Verwandtschaft zum Anti-PbFcl-Gitter","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","1350","1352","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7222658","4.21","","4.21","","10.85","","90","","90","","90","","192.306","","","","","","","","","","","","","3","I 4/m m m","-I 4 2","139","","Ca Zn2 Ge2","","- Ca Ge2 Zn2 -","- Ca Ge2 Zn2 -","- Ca2 Ge4 Zn4 -","2","0.0625","","Eisenmann, B.; May, N.; Mueller, W.; Schaefer, H.; Weiss, A.; Winter, J.; Ziegleder, G.","Neue Vertreter des Th Cr2 Si2 -Typs und dessen Verwandtschaft zum Anti-PbFCl-Gitter","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","1350","1352","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222848","4.49","","7.87","","24.44","","90","","90","","90","","863.619","","","","","","","","","","","","","2","C m c m","-C 2c 2","63","","Li9 Ge4","","- Ge4 Li9 -","- Ge4 Li9 -","- Ge16 Li36 -","4","0.25","","Hopf, V.; Schaefer, H.; Weiss, A.","Die Kristallstruktur der Phase Li9 Ge4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","653","653","","","","","","","","","","","","","","","","","","","","","","has coordinates","165561","2020-10-21","18:00:00",""
"7222853","9.771","","7.242","","12.223","","90","","90","","90","","864.919","","","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","Cs2 (Mo O S3)","","- Cs2 Mo O S3 -","- Cs2 Mo O S3 -","- Cs8 Mo4 O4 S12 -","4","0.5","","Krebs, B.; Mueller, A.; Kindler, E.","Kristallstruktur von Cs2 Mo O S3","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","222","222","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222854","14.338","","4.437","","14.552","","90","","98.04","","90","","916.665","","","","","","","","","","","","","3","C 1 2/m 1","-C 2y","12","","Pb5 S2 I6","","- I6 Pb5 S2 -","- I6 Pb5 S2 -","- I12 Pb10 S4 -","2","0.25","","Krebs, B.","Strukturchemie von Chalkogenid-halogeniden: Die Kristallstrukturen von Pb4 Se Br6 und Pb5 S2 J6","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","223","224","","","","","","","","","","","","","","","","","","","","","","has coordinates","165779","2020-10-21","18:00:00",""
"7222859","15.84","","4.88","","7.5","","90","","90","","90","","579.744","","","","","","","","","","","","","3","I m m m","-I 2 2","71","","Sr3 Li4 Sb4","","- Li4 Sb4 Sr3 -","- Li4 Sb4 Sr3 -","- Li8 Sb8 Sr6 -","2","0.125","","Liebrich, O.; Schaefer, H.; Weiss, A.","Darstellung und Kristallstruktur von Sr3 Li4 Sb4 und Ba3 Li4 Sb4","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","650","651","","","","","","","","","","","","","","","","","","","","","","has coordinates","165839","2020-10-21","18:00:00",""
"7222873","10.58","","10.58","","10.58","","90","","90","","90","","1184.29","","","","","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","(Zn (N H3)4) (Os O3 N)2","","- H12 N6 O6 Os2 Zn -","- N6 O6 Os2 Zn -","- N24 O24 Os8 Zn4 -","4","0.0416667","","Mueller, A.; Boeschen, I.; Sievert, W.","Zur Kristallstruktur von (Zn (N H3)4) (Os O3 N)2 und (Cd (N H3)4) (Os O3 N)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","311","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222874","10.7","","10.7","","10.7","","90","","90","","90","","1225.04","","","","","","","","","","","","","5","F -4 3 m","F -4 2 3","216","","(Cd (N H3)4) (Os O3 N)2","","- Cd H12 N6 O6 Os2 -","- Cd N6 O6 Os2 -","- Cd4 N24 O24 Os8 -","4","0.0416667","","Mueller, A.; Boeschen, I.; Sievert, W.","Zur Kristallstruktur von (Zn (N H3)4) (Os O3 N)2 und (Cd (N H3)4) (Os O3 N)2","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","311","312","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7222875","13.58","","10.3","","4.37","","90","","90","","90","","611.249","","","","","","","","","","","","","3","P n n m","-P 2 2n","58","","Ca1.65 Li1.85 Si4.0","","- Ca1.65 Li1.85 Si4 -","- Ca1.65 Li1.85 Si4 -","- Ca6.6 Li7.4 Si16 -","4","0.5","","Mueller, W.; Schaefer, H.; Weiss, A.","Neuartige Siliciumverbaende in der Phase Ca1.65 Li1.85 Si4.0","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","1371","1374","","","","","","","","","","","","","","","","","","","","","","has coordinates","166823","2020-10-21","18:00:00",""
"7222915","7.24","","10.93","","21.68","","90","","90","","90","","1715.61","","","","","","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","Na3 (Y (N H2)6)","","- H12 N6 Na3 Y -","- H12 N6 Na3 Y -","- H96 N48 Na24 Y8 -","8","0.25","","Stuhr, A.; Jacobs, H.; Juza, R.","Die Kristallstruktur des Na3 (Y (N H2)6)","Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977)","1970","25","","1483","1483","","","","","","","","","","","","","","","","","","","","","","has coordinates","189056","2020-10-21","18:00:00",""
"7245708","11.9497","0.0005","11.9497","0.0005","11.9497","0.0005","90","","90","","90","","1706.36","0.12","298","2","298","2","","","","","","","","3","P m -3 n","-P 4n 2 3","223","","","","- Eu2.22 Ga11 Sn35 -","- Eu2.216 Ga10.996 Sn35.004 -","- Eu2.216 Ga10.996 Sn35.004 -","1","0.0208333","","Gunatilleke, Wilarachchige D. C. B.; Wong-Ng, Winnie; Zavalij, Peter Y.; Zhang, Mingjian; Chen, Yu-Sheng; Nolas, George S.","Revealing uncommon transport in the previously unascertained very low cation clathrate-I Eu2Ga11Sn35","CrystEngComm","2023","25","1","48","52","10.1039/D2CE01026G","","","0.41328","SynchrotronX-ray","","0.0095","0.0095","","","0.0215","0.0216","","","","","","1.224","","","","has coordinates","281407","2023-03-04","18:08:30",""
"7245784","10.7786","0.0006","12.6891","0.0007","14.2722","0.0008","77.497","0.001","86.221","0.001","67.301","0.001","1757.78","0.17","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C3.88 H2.88 Ag0.62 N0.12 O1.62 P0.5 -","- C3.875 H3 Ag0.625 N0.125 O1.625 P0.5 -","- C62 H48 Ag10 N2 O26 P8 -","16","8","","Gao, Chao-Ying; Mao, Chen; Yang, Yang; Xu, Ning; Liu, Jinglin; Chen, Xiaohong; Liu, Jinghai; Duan, Limei","Epoxide activation by a silver phosphonate for heterogeneous catalysis of CO2 cycloaddition","CrystEngComm","2023","25","1","108","113","10.1039/D2CE01240E","","","0.71073","MoKα","","0.0307","0.0268","","","0.0702","0.0748","","","","","","0.955","","","","has coordinates","281403","2023-03-04","18:07:22",""
"7245794","6.0752","0.0003","9.8777","0.0005","22.1887","0.0013","90","","91.536","0.005","90","","1331.04","0.12","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 O S -","- C16 H16 O S -","- C64 H64 O4 S4 -","4","1","","Zhu, Can-Ming; Liang, Rong-Bin; Xiao, Yonghong; Zhou, Wei; Tong, Qing-Xiao; Zhong, Jian-Ji","Metal-free and site-selective α-C–H functionalization of tetrahydrofuran enabled by the photocatalytic generation of bromine radicals","Green Chemistry","2023","25","3","960","965","10.1039/D2GC03347J","","x-ray","1.54184","CuKα","","0.0621","0.0538","","","0.138","0.1429","","","","","","1.069","","","","has coordinates","281484","2023-03-04","18:25:46",""
"7245826","36.495","0.0004","16.3703","0.0002","60.2225","0.0006","90","","127.005","0.001","90","","28732.2","0.7","173","2","173.15","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C102.5 H139.5 Br8 Dy4 N12 Ni8 O39.25 -","- C102.5 H139.5 Br8 Dy4 N12 Ni8 O39.25 -","- C820 H1116 Br64 Dy32 N96 Ni64 O314 -","8","1","","Yu, Shui; Hu, Huancheng; Qiu, Zhihui; Zhang, Yuzhen; Liu, Dongcheng; Liang, Yuning; Zou, Hua-Hong; Liang, Fu-Pei; Chen, Zilu","Structure and assembly mechanism of a centipede-shaped high-nuclear Dy14Cu12 heterometallic nanocluster","CrystEngComm","2023","25","1","114","121","10.1039/D2CE01291J","","","1.54184","CuKα","","0.0916","0.078","","","0.1933","0.2022","","","","","","1.104","","","","has coordinates,has disorder","281402","2023-03-04","18:07:13",""
"7245842","10.1024","0.0002","10.91929","0.00018","13.0659","0.0003","90","","106.645","0.002","90","","1380.92","0.05","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Br4 N2 Ni O2 -","- C30 H24 Br4 N2 Ni O2 -","- C60 H48 Br8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0352","0.0335","","","0.0841","0.0856","","","","","","1.028","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245843","10.1101","0.0002","10.85749","0.00019","13.0218","0.0003","90","","107.285","0.002","90","","1364.85","0.05","160","1","160","1","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C60 H48 Br4 Cl4 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0134","0.0131","","","0.0334","0.0335","","","","","","1.045","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245844","9.98147","0.00015","10.86524","0.00017","12.8851","0.0002","90","","106.697","0.0017","90","","1338.48","0.04","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Cl4 N2 Ni O2 -","- C30 H24 Cl4 N2 Ni O2 -","- C60 H48 Cl8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","1.54184","CuKα","","0.0225","0.0219","","","0.0571","0.0573","","","","","","1.058","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245845","10.0967","0.0001","10.85","0.0001","13.0172","0.0002","90","","107.314","0.001","90","","1361.41","0.03","160","1","160","1","","","","","","","","7","I 1 2 1","I 2y","5","","","","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C30 H24 Br2 Cl2 N2 Ni O2 -","- C60 H48 Br4 Cl4 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0141","0.0136","","","0.0325","0.0327","","","","","","1.064","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245846","10.1059","0.0001","10.9312","0.0001","13.0682","0.0001","90","","106.621","0.001","90","","1383.32","0.02","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Br4 N2 Ni O2 -","- C30 H24 Br4 N2 Ni O2 -","- C60 H48 Br8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","1.54184","CuKα","","0.0174","0.0174","","","0.0461","0.0461","","","","","","1.073","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245847","9.9679","0.0002","10.8655","0.0002","12.8831","0.0004","90","","106.713","0.003","90","","1336.38","0.06","160","1","160","1","","","","","","","","6","I 1 2 1","I 2y","5","","","","- C30 H24 Cl4 N2 Ni O2 -","- C30 H24 Cl4 N2 Ni O2 -","- C60 H48 Cl8 N4 Ni2 O4 -","2","0.5","","Saadati, Arezoo; Amiri Rudbari, Hadi; Aryaeifar, Mahnaz; Blacque, Olivier; Correia, Isabel; Islam, Mohammad Khairul; Woschko, Dennis; Haj Hassani Sohi, Takin; Janiak, Christoph; Enamullah, Mohammed","Experimental and computational studies on pseudotetrahedral nickel(ii)-(S or R)-dihalogen-salicylaldiminates with Δ- or Λ-chirality induction at-metal","CrystEngComm","2023","25","3","365","377","10.1039/D2CE01311H","","x-ray","0.71073","MoKα","","0.0272","0.0256","","","0.0647","0.0659","","","","","","1.054","","","","has coordinates","281463","2023-03-04","18:22:31",""
"7245849","9.2418","0.0013","11.9961","0.0014","14.365","0.0019","87.506","0.01","79.734","0.011","75.312","0.01","1515.9","0.4","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 Br3 O3 -","- C33 H33 Br3 O3 -","- C66 H66 Br6 O6 -","2","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0834","0.0487","","","0.0895","0.1041","","","","","","1.088","","","","has coordinates,has disorder","281405","2023-03-04","18:08:05",""
"7245850","9.1331","0.0005","12.2577","0.0006","14.8298","0.0007","87.379","0.004","80.456","0.004","74.276","0.004","1575.96","0.14","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H33 I3 O3 -","- C33 H33 I3 O3 -","- C66 H66 I6 O6 -","2","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0785","0.0457","","","0.0938","0.1087","","","","","","1.027","","","","has coordinates,has disorder","281405","2023-03-04","18:08:05",""
"7245851","16.379","0.005","16.507","0.003","16.949","0.004","72.005","0.017","70.41","0.02","66.18","0.02","3868.6","1.8","153","2","153","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H47 I3 O4 -","- C39 H47 I3 O4 -","- C156 H188 I12 O16 -","4","2","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0718","0.0444","","","0.0915","0.1033","","","","","","1.028","","","","has coordinates,has disorder","281405","2023-03-04","18:08:05",""
"7245852","9.543","0.003","13.487","0.004","14.872","0.003","112.213","0.019","93.826","0.019","90.32","0.02","1767.1","0.9","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H43 Br3 O4 -","- C37 H43 Br3 O4 -","- C74 H86 Br6 O8 -","2","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0703","0.0475","","","0.1009","0.1158","","","","","","1.069","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245853","26.4658","0.0018","10.9463","0.0005","27.261","0.002","90","","100.532","0.006","90","","7764.5","0.9","153","2","153","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H27 Br9 O3 -","- C33 H27 Br9 O3 -","- C264 H216 Br72 O24 -","8","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0591","0.044","","","0.105","0.1149","","","","","","1.044","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245854","14.5959","0.0015","13.3943","0.0012","19.924","0.003","90","","100.189","0.009","90","","3833.8","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H40 Br6 O4 -","- C37 H40 Br6 O4 -","- C148 H160 Br24 O16 -","4","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0489","0.0359","","","0.0827","0.091","","","","","","1.057","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245855","17.7349","0.0011","23.194","0.003","8.796","0.004","90","","97.162","0.014","90","","3589.9","1.7","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 Br9 O3 -","- C33 H27 Br9 O3 -","- C132 H108 Br36 O12 -","4","1","","Ebersbach, Ben; Seichter, Wilhelm; Schwarzer, Anke; Mazik, Monika","Supramolecular patterns in the crystal structures of 1,3,5-trisubstituted 2,4,6-triethylbenzenes bearing halogenophenoxy groups","CrystEngComm","2023","25","1","137","153","10.1039/D2CE01203K","","","0.71073","MoKα","","0.0531","0.0309","","","0.056","0.0621","","","","","","1.009","","","","has coordinates","281405","2023-03-04","18:08:05",""
"7245870","30.0732","0.001","30.0732","0.001","29.0267","0.0011","90","","90","","120","","22734.6","1.4","298","1","298","1","","","","","","","","5","R -3 :H","-R 3","148","","","","- C216 H342 N18 O104 Ti30 -","- C216 H342 N18 O104 Ti30 -","- C648 H1026 N54 O312 Ti90 -","3","0.166667","","Li, Huan; Cui, Xiaoqin; Li, Xin; Dong, Jing; Wang, Yuan; Zhang, Xian-Ming","A close-packed Ti6 and Ti12 nanocluster superstructure","CrystEngComm","2023","25","1","53","57","10.1039/D2CE01198K","","x-ray","1.54184","CuKα","","0.1774","0.1178","","","0.3109","0.3636","","","","","","1.133","","","","has coordinates,has disorder","281406","2023-03-04","18:08:21",""
"7245871","13.132","0.0004","6.6872","0.0002","13.2034","0.0004","90","","101.394","0.003","90","","1136.62","0.06","273","2","273","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H11 N3 O7 -","- C9 H11 N3 O7 -","- C36 H44 N12 O28 -","4","0.5","","Singh, Priyanka; Ahmad, Musheer; Siddiqui, Kafeel Ahmad","Bifunctional bis(2-carboxyethyl)isocyanurate crystal for high-performance photocatalytic degradation of rose bengal dye and luminescence sensing of PO43−, NO3−, Cl−, Cr2O72− and F− ions","CrystEngComm","2023","25","2","245","266","10.1039/D2CE01387H","","","0.71073","MoKα","","0.0635","0.0506","","","0.1455","0.162","","","","","","1.057","","","","has coordinates","281441","2023-03-04","18:17:01",""
"7245875","11.6559","0.0005","11.4576","0.0004","30.1022","0.0011","90","","94.1818","0.0012","90","","4009.4","0.3","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C70 H90 Cl4 N6 O14 S6 Zn3 -","- C70 H90 Cl4 N6 O14 S6 Zn3 -","- C140 H180 Cl8 N12 O28 S12 Zn6 -","2","0.5","","Wang, Chih-Chieh; Chung, Yu-Chen; Liu, Chuan-Yien; Lee, Gene-Hsiang; Chien, Su-Ying; Chen, Bo-Hao; Chuang, Yu-Chun","Structural characterization and solvent vapor sorption of two solvent-dependent Zn(ii) supramolecular architectures based on a flexible tripodal thioether-based pyridyl ligand and a dicarboxylate-based ligand","CrystEngComm","2023","25","2","290","298","10.1039/D2CE01440H","","","0.71073","MoKα","","0.08","0.0712","","","0.1851","0.1907","","","","","","1.164","","","","has coordinates","281440","2023-03-04","18:16:55",""
"7245876","16.4499","0.0007","25.8927","0.0011","9.3733","0.0004","90","","90.8495","0.0012","90","","3992","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C39 H45 N3 O9 S3 Zn -","- C39 H45 N3 O9 S3 Zn -","- C156 H180 N12 O36 S12 Zn4 -","4","1","","Wang, Chih-Chieh; Chung, Yu-Chen; Liu, Chuan-Yien; Lee, Gene-Hsiang; Chien, Su-Ying; Chen, Bo-Hao; Chuang, Yu-Chun","Structural characterization and solvent vapor sorption of two solvent-dependent Zn(ii) supramolecular architectures based on a flexible tripodal thioether-based pyridyl ligand and a dicarboxylate-based ligand","CrystEngComm","2023","25","2","290","298","10.1039/D2CE01440H","","","0.71073","MoKα","","0.1085","0.0964","","","0.2575","0.2677","","","","","","1.053","","","","has coordinates,has disorder","281440","2023-03-04","18:16:55",""
"7245877","9.6199","0.0007","9.1882","0.0005","17.4611","0.0011","90","","104.355","0.008","90","","1495.19","0.17","140","2","140","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H20 Cu I4 N2 O6 -","- C26 H20 Cu I4 N2 O6 -","- C52 H40 Cu2 I8 N4 O12 -","2","0.5","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0522","0.0397","","","0.0825","0.0893","","","","","","1.048","","","","has coordinates,has disorder","281404","2023-03-04","18:07:42",""
"7245878","24.6536","0.0008","13.7854","0.0005","8.686","0.0003","90","","91.111","0.003","90","","2951.47","0.18","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 Cu I4 N2 O6 -","- C26 H20 Cu I4 N2 O6 -","- C104 H80 Cu4 I16 N8 O24 -","4","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.075","0.0687","","","0.1492","0.1513","","","","","","1.203","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245879","32.1635","0.001","7.9649","0.0002","29.8771","0.001","90","","123.487","0.005","90","","6383.4","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C37.33 H40 Cl2.67 Cu2 I2.67 N4 O4 -","- C37.3333 H40 Cl2.66667 Cu2 I2.66667 N4 O4 -","- C224 H240 Cl16 Cu12 I16 N24 O24 -","6","0.75","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0401","0.0349","","","0.0765","0.0788","","","","","","1.046","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245880","9.0941","0.0004","11.1084","0.0004","11.1815","0.0004","102.305","0.003","103.773","0.003","94.247","0.003","1062.57","0.07","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H17 Cl Cu I2 N2 O3 -","- C19 H17 Cl Cu I2 N2 O3 -","- C38 H34 Cl2 Cu2 I4 N4 O6 -","2","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0512","0.0395","","","0.0779","0.082","","","","","","1.026","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245881","7.8509","0.0003","8.4157","0.0005","10.9695","0.0006","79.902","0.005","77.108","0.004","87.265","0.004","695.52","0.06","140","2","140","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H16 Cu I4 N2 O6 -","- C24 H16 Cu I4 N2 O6 -","- C24 H16 Cu I4 N2 O6 -","1","0.5","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0397","0.0305","","","0.0568","0.0602","","","","","","1.027","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245882","11.0664","0.0006","11.0664","0.0006","23.521","0.002","90","","90","","90","","2880.5","0.3","140","2","140","2","","","","","","","","6","P 4/m n c","-P 4 2n","128","","","","- C37.6 H21.2 Cu2 I8 N4.8 O12 -","- C37.6 H21.2 Cu2 I8 N4.8 O12 -","- C75.2 H42.4 Cu4 I16 N9.6 O24 -","2","0.125","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0742","0.0539","","","0.147","0.1569","","","","","","1.089","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245883","17.3463","0.0003","17.3463","0.0003","19.8722","0.0005","90","","90","","90","","5979.4","0.2","140","2","140","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C52 H36 Cu4 I8 N4 O12 -","- C52 H36 Cu4 I8 N4 O12 -","- C208 H144 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0679","0.0617","","","0.1165","0.1188","","","","","","1.16","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245884","17.7967","0.0006","17.7967","0.0006","19.2988","0.0009","90","","90","","90","","6112.4","0.4","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C52 H36 Cu4 I8 N4 O12 -","- C52 H36 Cu4 I8 N4 O12 -","- C208 H144 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0403","0.0326","","","0.0834","0.0882","","","","","","1.023","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245885","8.5657","0.0002","11.8674","0.0002","13.5591","0.0003","89.25","0.001","85.618","0.001","89.773","0.001","1374.16","0.05","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H47.8 Cl4 Cu3 I4 N6 O6 -","- C50 H47.8 Cl4 Cu3 I4 N6 O6 -","- C50 H47.8 Cl4 Cu3 I4 N6 O6 -","1","0.5","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0285","0.0229","","","0.0521","0.0537","","","","","","1.062","","","","has coordinates,has disorder","281404","2023-03-04","18:07:43",""
"7245886","9.9896","0.0005","7.298","0.0003","20.0687","0.001","90","","90.958","0.002","90","","1462.89","0.12","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Cu I2 N O3 -","- C13 H9 Cu I2 N O3 -","- C52 H36 Cu4 I8 N4 O12 -","4","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0616","0.0519","","","0.1202","0.1241","","","","","","1.172","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245887","16.9289","0.0004","16.9289","0.0004","19.3081","0.0006","90","","90","","90","","5533.5","0.3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C48 H28 Cu4 I8 N4 O12 -","- C48 H28 Cu4 I8 N4 O12 -","- C192 H112 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0294","0.0256","","","0.0581","0.06","","","","","","1.077","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245888","5.2711","0.0007","14.3697","0.0017","23.766","0.003","90","","90","","90","","1800.1","0.4","150","2","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H12 Cu I2 N2 O3 -","- C15 H12 Cu I2 N2 O3 -","- C60 H48 Cu4 I8 N8 O12 -","4","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0595","0.0413","","","0.0816","0.0878","","","","","","0.952","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245889","9.3176","0.0003","11.6974","0.0004","11.8686","0.0004","73.151","0.003","71.895","0.003","89.946","0.003","1171.09","0.07","142","2","142","2","","","","","","","","7","P -1","-P 1","2","","","","- C21 H21 Cl Cu I2 N2 O3 -","- C21 H21 Cl Cu I2 N2 O3 -","- C42 H42 Cl2 Cu2 I4 N4 O6 -","2","1","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","x-ray","0.71073","MoKα","","0.0465","0.0348","","","0.0672","0.0723","","","","","","1.009","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245890","17.7012","0.0004","17.7012","0.0004","20.5023","0.0008","90","","90","","90","","6424","0.3","150","2","150","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C56 H44 Cu4 I8 N4 O12 -","- C56 H44 Cu4 I8 N4 O12 -","- C224 H176 Cu16 I32 N16 O48 -","4","0.25","","Bondarenko, Mikhail A.; Abramov, Pavel A.; Korolkov, Ilya V.; Bogomyakov, Artem S.; Sokolov, Maxim N.; Adonin, Sergey A.","Cu(ii) 3,5-diiodosalicylate complexes: precursor-dependent formation of mono-, di-, tri- and tetranuclear compounds and 1D coordination polymers","CrystEngComm","2023","25","1","130","136","10.1039/D2CE01393B","","","0.71073","MoKα","","0.0477","0.0345","","","0.0813","0.089","","","","","","1.178","","","","has coordinates","281404","2023-03-04","18:07:43",""
"7245900","27.5957","0.0004","8.2299","0.0001","17.9221","0.0003","90","","96.375","0.001","90","","4045.12","0.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H20 Br4 N2 Zn -","- C14 H20 Br4 N2 Zn -","- C112 H160 Br32 N16 Zn8 -","8","1","","Liu, Yu-Hang; Wang, Wen-Qi; Zhang, Bing-Lin; Wang, Yu-Jiao; Ren, Meng-Ping; Jing, Zhihong; Yue, Cheng-Yang","Zero-dimensional organic–inorganic hybrid zinc halide with broadband yellow light emission","CrystEngComm","2023","25","3","444","449","10.1039/D2CE01342H","","","1.54178","CuKα","","0.0456","0.0432","","","0.1052","0.1074","","","","","","1.154","","","","has coordinates","281466","2023-03-04","18:23:09",""
"7245901","15.25","0.002","15.25","0.002","6.8149","0.0014","90","","90","","120","","1372.6","0.4","150","2","150","2","","","","","","","","6","P 63","P 6c","173","","2,4,6-tris-(4-chlorophenoxy)-1,3,5-triazine tribromobenzene","","- C27 H15 Br3 Cl3 N3 O3 -","- C27 H15 Br3 Cl3 N3 O3 -","- C54 H30 Br6 Cl6 N6 O6 -","2","0.333333","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","","0.71073","MoKα","","0.0328","0.0267","","","0.0623","0.0642","","","","","","1.037","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245902","5.586","","6.054","","7.432","","110.74","","90.21","","117.34","","204.564","","","","","","","","","","","","","5","P -1","-P 1","2","","Silver Scandium Bis(chromate) Dihydrate","","- Ag Cr2 H4 O10 Sc -","- Ag Cr2 H4 O10 Sc -","- Ag Cr2 H4 O10 Sc -","1","0.5","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","","","","","0.0348","","","","","","","","","","","","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245903","5.3058","0.0005","10.0452","0.0009","28.782","0.002","90","","91.144","0.007","90","","1533.7","0.2","297.15","","297.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 Br Cl N2 O4 -","- C14 H12 Br Cl N2 O4 -","- C56 H48 Br4 Cl4 N8 O16 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","","0.71073","MoKα","","0.1371","0.0964","","","0.2016","0.2253","","","","","","1.078","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245904","5.6908","0.0002","10.0921","0.0004","27.4423","0.0009","90","","84.574","0.003","90","","1569.01","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 Br N2 O4 -","- C15 H15 Br N2 O4 -","- C60 H60 Br4 N8 O16 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","x-ray","0.71073","MoKα","","0.056","0.0377","","","0.0781","0.0856","","","","","","1.058","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245905","11.1782","0.0009","10.3856","0.0006","15.2063","0.0016","90","","107.016","0.009","90","","1688.1","0.3","294.8","0.3","294.8","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 Br N2 O4 -","- C16 H17 Br N2 O4 -","- C64 H68 Br4 N8 O16 -","4","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","x-ray","0.71073","MoKα","","0.0773","0.0467","","","0.0887","0.1028","","","","","","1.043","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245906","14.0434","0.0008","12.0064","0.0008","21.0629","0.0013","90","","90","","90","","3551.4","0.4","250.05","0.1","250.05","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H16 Br2 N2 O4 -","- C16 H16 Br2 N2 O4 -","- C128 H128 Br16 N16 O32 -","8","1","","Popa, Marcel Mirel; Shova, Sergiu; Dascalu, Mihaela; Caira, Mino R.; Dumitrascu, Florea","Crystal structures of 5-bromo-1-arylpyrazoles and their halogen bonding features","CrystEngComm","2023","25","1","86","94","10.1039/D2CE01355J","","x-ray","0.71073","MoKα","","0.0891","0.0483","","","0.0512","0.0596","","","","","","1.019","","","","has coordinates","281409","2023-03-04","18:08:50",""
"7245912","19.883","0.004","7.0318","0.0014","25.673","0.005","90","","90","","90","","3589.4","1.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C128 H96 N64 O16 S16 -","16","2","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C.","Polymorphism in carboxamide compounds with high-Z′ crystal structures","CrystEngComm","2023","25","2","299","308","10.1039/D2CE01171A","","","0.71073","MoKα","","0.3369","0.0633","","","0.0536","0.0942","","","","","","0.704","","","","has coordinates","281438","2023-03-04","18:16:15",""
"7245913","9.8771","0.0005","5.1276","0.0002","17.5128","0.0011","90","","101.776","0.005","90","","868.28","0.08","100","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C32 H24 N16 O4 S4 -","4","2","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C.","Polymorphism in carboxamide compounds with high-Z′ crystal structures","CrystEngComm","2023","25","2","299","308","10.1039/D2CE01171A","","x-ray","1.54184","CuKα","","0.0585","0.053","","","0.1424","0.1691","","","","","","1.104","","","","has coordinates","281438","2023-03-04","18:16:15",""
"7245914","19.421","0.004","11.05","0.002","8.1836","0.0016","90","","101.58","0.03","90","","1720.5","0.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 N4 O S -","- C8 H6 N4 O S -","- C64 H48 N32 O8 S8 -","8","2","","Tavakoli-Quchani, Fatemeh; Salimi, Alireza; Notash, Behrouz; Samie, Ali; Garrison, Jered C.","Polymorphism in carboxamide compounds with high-Z′ crystal structures","CrystEngComm","2023","25","2","299","308","10.1039/D2CE01171A","","","0.71073","MoKα","","0.2322","0.1225","","","0.1831","0.2179","","","","","","1.047","","","","has coordinates","281438","2023-03-04","18:16:15",""
"7245916","16.112","0.006","7.649","0.003","29.1","0.013","90","","101.562","0.005","90","","3514","2","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C16 H16 N3 O5 Zn -","- C13 H9 N2 O4 Zn -","- C104 H72 N16 O32 Zn8 -","8","1","","Gong, Yi; Chen, Fei; Beamish-Cook, Jethro; Elsegood, Mark R. J.; Derbyshire, Max; Rowe, Oliver; Redshaw, Carl","Pillared MOFs: structure and ring opening polymerization of cyclic esters","CrystEngComm","2023","25","2","267","283","10.1039/D2CE01317G","","","0.71073","MoKα","","0.0499","0.042","","","0.1039","0.1077","","","","","","1.094","","","","has coordinates,has disorder","281437","2023-03-04","18:16:06",""
"7245917","12.1692","0.0005","12.1692","0.0005","18.022","0.0011","90","","90","","120","","2311.31","0.19","170","2","170","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C15 H38 Cl4 Gd7 N3 O32 -","- C15 H38 Cl4 Gd7 N3 O32 -","- C30 H76 Cl8 Gd14 N6 O64 -","2","0.166667","","Cao, Shouying; Fan, Chenpeng; Lu, Mengwen; Li, Meng; Zhou, Yuhang; Wang, Hongxia; Lin, Qingfang; Liang, Lili","Two heptanuclear cluster-based 3D metal–organic frameworks with a good magnetocaloric effect","CrystEngComm","2023","25","2","309","313","10.1039/D2CE01350A","","","0.71073","MoKα","","0.0415","0.0327","","","0.0746","0.0798","","","","","","1.073","","","","has coordinates,has disorder","281442","2023-03-04","18:17:10",""
"7245918","12.0761","0.0003","12.0761","0.0003","17.8609","0.0005","90","","90","","120","","2255.73","0.1","100","","100","","","","","","","","","6","P 63/m","-P 6c","176","","","","- C15 H38 Cl4 Dy7 N3 O32 -","- C15 H38 Cl4.003 Dy7 N3 O32 -","- C30 H76 Cl8.006 Dy14 N6 O64 -","2","0.166667","","Cao, Shouying; Fan, Chenpeng; Lu, Mengwen; Li, Meng; Zhou, Yuhang; Wang, Hongxia; Lin, Qingfang; Liang, Lili","Two heptanuclear cluster-based 3D metal–organic frameworks with a good magnetocaloric effect","CrystEngComm","2023","25","2","309","313","10.1039/D2CE01350A","","x-ray","0.71073","MoKα","","0.0427","0.0373","","","0.0889","0.092","","","","","","1.134","","","","has coordinates,has disorder","281442","2023-03-04","18:17:11",""
"7245922","10.7519","0.0002","15.0363","0.0002","17.358","0.0003","71.4304","0.0013","81.7596","0.0016","84.38","0.0014","2628.59","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H134 Dy8 N20 O46 -","- C78 H130 Dy8 N18 O48 -","- C78 H130 Dy8 N18 O48 -","1","0.5","","Li, Yun-Lan; Huang, Zhong-Ming; Wang, Hai-Ling; Zhu, Zhong-Hong; Liang, Fu-Pei; Zou, Hua-Hong","Double butterfly-shaped octanuclear dysprosium clusters: structure, magnetism and assembly mechanism","CrystEngComm","2023","25","2","225","232","10.1039/D2CE01506D","","","1.54184","CuKα","","0.0927","0.0857","","","0.224","0.2326","","","","","","1.029","","","","has coordinates","281443","2023-03-04","18:17:21",""
"7245923","14.1647","0.0004","14.3993","0.0003","16.7338","0.0004","82.531","0.002","75.268","0.002","82.046","0.002","3253.05","0.14","99.99","0.1","99.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C92 H158.39 Dy8 N18 O52 -","- C96 H170 Dy8 N16 O52 -","- C96 H170 Dy8 N16 O52 -","1","0.5","","Li, Yun-Lan; Huang, Zhong-Ming; Wang, Hai-Ling; Zhu, Zhong-Hong; Liang, Fu-Pei; Zou, Hua-Hong","Double butterfly-shaped octanuclear dysprosium clusters: structure, magnetism and assembly mechanism","CrystEngComm","2023","25","2","225","232","10.1039/D2CE01506D","","x-ray","1.54184","CuKα","","0.1075","0.1024","","","0.2773","0.2811","","","","","","1.098","","","","has coordinates","281443","2023-03-04","18:17:22",""
"7245927","12.2932","0.0006","13.6174","0.0006","16.6873","0.0008","110.386","0.002","93.646","0.002","100.428","0.002","2550.8","0.2","193","2","192.98","","","","","","","","","5","P -1","-P 1","2","","","","- C80 Cu4 F48 N6 O24 -","- C80 Cu4 F48 N6 O24 -","- C80 Cu4 F48 N6 O24 -","1","0.5","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1306","0.0908","","","0.2768","0.3032","","","","","","1.051","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245928","11.5153","0.0004","13.8164","0.0005","15.7733","0.0006","93.479","0.002","101.463","0.002","106.683","0.002","2337.35","0.15","173","2","172.97","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H54 Cu3 F36 N6 O20 -","- C70 H54 Cu3 F36 N6 O20 -","- C70 H54 Cu3 F36 N6 O20 -","1","0.5","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.0958","0.0776","","","0.218","0.2308","","","","","","1.042","","","","has coordinates,has disorder","281461","2023-03-04","18:22:00",""
"7245929","18.0904","0.001","19.5106","0.0011","23.1862","0.0013","90","","100.466","0.003","90","","8047.5","0.8","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 Cu Dy F30 N6 O18 -","- C65 H53 Cu Dy F30 N6 O18 -","- C260 H212 Cu4 Dy4 F120 N24 O72 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1255","0.0815","","","0.2432","0.273","","","","","","1.043","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245930","18.073","0.0014","19.5641","0.0015","23.334","0.002","90","","100.406","0.002","90","","8114.8","1.1","296","2","296.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H53 Cu F30 N6 O18 Tb -","- C65 H53 Cu F30 N6 O18 Tb -","- C260 H212 Cu4 F120 N24 O72 Tb4 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1524","0.07","","","0.1622","0.2042","","","","","","1.018","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245931","18.0555","0.0015","19.5223","0.0016","23.2514","0.0017","90","","100.561","0.004","90","","8056.9","1.1","173","2","173.01","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H52 Cu F30 Gd N6 O18 -","- C65 H52 Cu F30 Gd N6 O18 -","- C260 H208 Cu4 F120 Gd4 N24 O72 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.1321","0.0785","","","0.2196","0.2555","","","","","","1.06","","","","has coordinates,has disorder","281461","2023-03-04","18:22:00",""
"7245932","18.0246","0.0007","19.5088","0.0008","23.2859","0.001","90","","99.972","0.002","90","","8064.5","0.6","173","2","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C65 H50 Cu F30 Ho N6 O18 -","- C65 H50 Cu F30 Ho N6 O18 -","- C260 H200 Cu4 F120 Ho4 N24 O72 -","4","1","","Zhu, Mei; Ma, Shuqi; Dong, Huiyang; Zhong, Qing; Liu, Yi","Slow magnetic relaxation and selective luminescent probe in a 2p–3d–4f heterotrispin chain","CrystEngComm","2023","25","3","403","416","10.1039/D2CE01200F","","","0.71073","MoKα","","0.0911","0.063","","","0.1861","0.2007","","","","","","1.049","","","","has coordinates","281461","2023-03-04","18:22:00",""
"7245933","15.9403","0.001","15.9403","0.001","31.662","0.002","90","","90","","90","","8045.1","0.9","173","2","173","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C4 H6.22 B0.22 F0.89 N0.89 Rh0.22 -","- C4 H6.22222 B0.222222 F0.888889 N0.888889 Rh0.222222 -","- C288 H448 B16 F64 N64 Rh16 -","72","2.25","","Qian, Chun; Zheng, Qingshu; Chen, Jie; Tu, Bo; Tu, Tao","Coordination assembly enables highly selective catalytic hydroaminomethylation of olefins","Green Chemistry","2023","25","4","1368","1379","10.1039/D2GC04195B","","","1.34138","GaKα","","0.0427","0.0387","","","0.1083","0.1118","","","","","","1.121","","","","has coordinates,has disorder","281473","2023-03-04","18:24:22",""
"7245934","13.617","0.001","17.292","0.0012","13.8897","0.001","90","","116.871","0.002","90","","2917.4","0.4","181","2","181","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C13.5 H17 B0.5 Cl F2 N2 Rh0.5 -","- C13.5 H17 B0.5 Cl F2 N2 Rh0.5 -","- C108 H136 B4 Cl8 F16 N16 Rh4 -","8","2","","Qian, Chun; Zheng, Qingshu; Chen, Jie; Tu, Bo; Tu, Tao","Coordination assembly enables highly selective catalytic hydroaminomethylation of olefins","Green Chemistry","2023","25","4","1368","1379","10.1039/D2GC04195B","","","1.34138","GaKα","","0.0428","0.037","","","0.0895","0.0941","","","","","","1.035","","","","has coordinates,has disorder","281473","2023-03-04","18:24:22",""
"7245935","15.1914","0.0009","15.8408","0.0009","55.703","0.003","90","","93.157","0.002","90","","13384.2","1.3","175","2","175","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C127 H147 B2 Cl9 F8 N8 Rh2 -","- C127 H147 B2 Cl9 F8 N8 Rh2 -","- C508 H588 B8 Cl36 F32 N32 Rh8 -","4","1","","Qian, Chun; Zheng, Qingshu; Chen, Jie; Tu, Bo; Tu, Tao","Coordination assembly enables highly selective catalytic hydroaminomethylation of olefins","Green Chemistry","2023","25","4","1368","1379","10.1039/D2GC04195B","","","1.34138","GaKα","","0.1326","0.1248","","","0.3036","0.3069","","","","","","1.087","","","","has coordinates,has disorder","281473","2023-03-04","18:24:22",""
"7245936","9.4105","0.0014","9.5147","0.0014","9.8831","0.0015","106.078","0.002","94.529","0.002","92.03","0.002","846.1","0.2","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C22 H14 Eu2 F4 N2 O10 S4 -","- C22 H14 Eu2 F4 N2 O10 S4 -","- C22 H14 Eu2 F4 N2 O10 S4 -","1","0.5","","Liu, Zhiqing; Wu, Ying; Zhong, Yuan-Hui; Chung, Lai-Hon; Liao, Wei-Ming; Yang, Xianghua; He, Jun","Elucidating phase transformation of Eu-based metal organic framework with intermediate isolation and theoretical calculations","CrystEngComm","2023","25","3","347","351","10.1039/D2CE01466A","","","0.71073","MoKα","","0.027","0.0254","","","0.065","0.0658","","","","","","1.042","","","","has coordinates","281458","2023-03-04","18:21:09",""
"7245937","16.6143","0.0005","10.5019","0.0003","8.8282","0.0003","90","","103.725","0.004","90","","1496.38","0.08","240.01","0.1","240.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H18 F2 N4 O5 S2 -","- C8 H18 F2 N4 O5 S2 -","- C32 H72 F8 N16 O20 S8 -","4","1","","Liu, Zhiqing; Wu, Ying; Zhong, Yuan-Hui; Chung, Lai-Hon; Liao, Wei-Ming; Yang, Xianghua; He, Jun","Elucidating phase transformation of Eu-based metal organic framework with intermediate isolation and theoretical calculations","CrystEngComm","2023","25","3","347","351","10.1039/D2CE01466A","","x-ray","0.71073","MoKα","","0.0354","0.0306","","","0.0802","0.0841","","","","","","1.068","","","","has coordinates","281458","2023-03-04","18:21:09",""
"7245938","6.6346","0.0004","13.3837","0.0008","15.6515","0.0009","88.032","0.002","86.315","0.002","79.276","0.003","1362.33","0.14","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H4 N4 S5 -","- C10 H4 N4 S5 -","- C40 H16 N16 S20 -","4","2","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0827","0.0579","","","0.144","0.1524","","","","","","1.096","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245939","7.5481","0.0002","7.7702","0.0002","12.5117","0.0003","74.645","0.001","85.362","0.002","69.681","0.001","663.54","0.03","100","2","100.01","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 N8 S8 Te2 -","- C18 H8 N8 S8 Te2 -","- C18 H8 N8 S8 Te2 -","1","0.5","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0248","0.0195","","","0.0402","0.0417","","","","","","1.102","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245940","9.8502","0.0005","10.6342","0.0005","14.8943","0.0007","90","","103.318","0.002","90","","1518.2","0.13","100","","100","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C12 H4 F4 N2 S5 -","- C12 H4 F4 N2 S5 -","- C48 H16 F16 N8 S20 -","4","1","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0543","0.0352","","","0.0637","0.0696","","","","","","1.038","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245941","11.0656","0.0004","8.8374","0.0003","12.0606","0.0004","90","","104.261","0.002","90","","1143.07","0.07","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H6 N4 S3 -","- C11 H6 N4 S3 -","- C44 H24 N16 S12 -","4","1","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0689","0.0495","","","0.1171","0.1254","","","","","","1.083","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245942","7.3298","0.0002","7.8942","0.0003","26.3901","0.0009","95.969","0.001","92.984","0.001","90.116","0.001","1516.63","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H6 N12 S6 Se3 -","- C21 H6 N12 S6 Se3 -","- C42 H12 N24 S12 Se6 -","2","1","","Chulanova, Elena A.; Radiush, Ekaterina A.; Balmohammadi, Yaser; Beckmann, Jens; Grabowsky, Simon; Zibarev, Andrey V.","New charge-transfer complexes of 1,2,5-chalcogenadiazoles with tetrathiafulvalenes","CrystEngComm","2023","25","3","391","402","10.1039/D2CE01385A","","","0.71073","MoKα","","0.0644","0.0371","","","0.0545","0.0595","","","","","","1.044","","","","has coordinates","281462","2023-03-04","18:22:18",""
"7245944","7.7001","0.0002","26.8744","0.0007","11.3043","0.0003","90","","99.2084","0.0005","90","","2309.12","0.1","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","5'-(2,3-difluorophenyl)-2'-ethoxy-4-pentyloxy-2,3-difluorotolane","3'-((2,3-difluoro-4-(pentyloxy)phenyl)ethynyl)-4'-ethoxy-2,3-difluoro-1,1'-biphenyl","","- C27 H24 F4 O2 -","- C27 H24 F4 O2 -","- C108 H96 F16 O8 -","4","1","","Rozwadowski, Tomasz; Noda, Hiroshi; Kolek, Łukasz; Ito, Mizuki; Yamamura, Yasuhisa; Saitoh, Hideki; Saito, Kazuya","Molecular dynamics and kinetics of isothermal cold crystallization with tunable dimensionality in a molecular glass former, 5'-(2,3-difluorophenyl)-2'-ethoxy-4-pentyloxy-2,3-difluorotolane.","Physical chemistry chemical physics : PCCP","2022","25","1","724","735","10.1039/d2cp03638j","","","0.71073","MoKα","","0.0539","0.0421","","","0.115","0.1262","","","","","","1.046","","","","has coordinates","283496","2023-05-05","03:31:23",""
"7245945","8.2636","0.0017","13.032","0.003","14.403","0.003","83.04","0.03","83.82","0.03","89.68","0.03","1530.7","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H20 Cl2 Co N8 O4 -","- C36 H20 Cl2 Co N8 O4 -","- C72 H40 Cl4 Co2 N16 O8 -","2","1","","Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping","From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties","CrystEngComm","2023","25","4","683","689","10.1039/D2CE01472F","","","0.71073","MoKα","","0.1697","0.1306","","","0.3517","0.3813","","","","","","1.094","","","","has coordinates","281435","2023-03-04","18:15:37",""
"7245946","8.7689","0.0003","14.4511","0.0003","15.1302","0.0005","85.962","0.002","88.842","0.002","82.075","0.002","1894.17","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C72 H48 Cl4 Co3 N18 O20 -","- C72 H48 Cl4 Co3 N18 O20 -","- C72 H48 Cl4 Co3 N18 O20 -","1","0.5","","Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping","From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties","CrystEngComm","2023","25","4","683","689","10.1039/D2CE01472F","","","1.54184","CuKα","","0.0681","0.0648","","","0.2003","0.2055","","","","","","1.093","","","","has coordinates","281435","2023-03-04","18:15:37",""
"7245947","19.52525","0.00015","19.52525","0.00015","28.034","0.0002","90","","90","","120","","9255.69","0.12","293","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C18 H12 Cl Co N5 O6 -","- C18 H12 Cl Co N5 O6 -","- C324 H216 Cl18 Co18 N90 O108 -","18","1","","Yin, Jia-Ling; Yin, Meng-Ru; Yong, Guo-Ping","From two-dimensional networks to three-dimensional metal–organic frameworks mediated by solvent ratio: luminescence and gas adsorption properties","CrystEngComm","2023","25","4","683","689","10.1039/D2CE01472F","","","1.54184","CuKα","","0.044","0.0427","","","0.1427","0.1447","","","","","","1.105","","","","has coordinates","281435","2023-03-04","18:15:37",""
"7245949","29.9967","0.0004","17.1308","0.0002","14.7811","0.0002","90","","90","","90","","7595.53","0.17","100","0.14","100","0.14","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C30 H28 N4 O3 Zn1.5 -","- C30 H28 N4 O3 Zn1.5 -","- C240 H224 N32 O24 Zn12 -","8","1","","Wang, Xue-Zhi; Zhou, Chuang-Wei; Wang, Bei; Lai, Ya-Liang; Lian, Zhao-Xia; Liu, Yi-Tong; Li, Yan Yan; Zhou, Xiao-Ping","Chiral two-dimensional metal–organic frameworks based on Zn(salen) ligands: subcomponent self-assembly and circularly polarised luminescence","CrystEngComm","2023","25","3","484","489","10.1039/D2CE01530G","","","1.54184","CuKα","","0.0571","0.0518","","","0.1471","0.1504","","","","","","1.088","","","","has coordinates","281465","2023-03-04","18:23:02",""
"7245950","14.7259","0.0002","17.3191","0.0002","30.0077","0.0004","90","","90","","90","","7653.14","0.17","99.98","0.12","99.98","0.12","","","","","","","","5","I 2 2 2","I 2 2","23","","","","- C30 H28 N4 O3 Zn1.5 -","- C30 H28 N4 O3 Zn1.5 -","- C240 H224 N32 O24 Zn12 -","8","1","","Wang, Xue-Zhi; Zhou, Chuang-Wei; Wang, Bei; Lai, Ya-Liang; Lian, Zhao-Xia; Liu, Yi-Tong; Li, Yan Yan; Zhou, Xiao-Ping","Chiral two-dimensional metal–organic frameworks based on Zn(salen) ligands: subcomponent self-assembly and circularly polarised luminescence","CrystEngComm","2023","25","3","484","489","10.1039/D2CE01530G","","x-ray","1.54178","CuKα","","0.0443","0.0426","","","0.1232","0.1251","","","","","","1.049","","","","has coordinates","281465","2023-03-04","18:23:02",""
"7245951","9.089","0.003","11.287","0.003","13.926","0.004","90","","90","","90","","1428.6","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H23 N5 S -","- C10 H23 N5 S -","- C40 H92 N20 S4 -","4","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","1.54178","CuKα","","0.0531","0.0441","","","0.1011","0.1061","","","","","","1.082","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245952","9.1606","0.0016","17.221","0.003","21.778","0.004","90","","90","","90","","3435.6","1.1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H25 N5 S -","- C15 H25 N5 S -","- C120 H200 N40 S8 -","8","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","1.54178","CuKα","","0.0644","0.0584","","","0.1515","0.1574","","","","","","1.053","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245953","10.9568","0.0006","13.7361","0.0007","16.5427","0.0008","90","","90","","90","","2489.7","0.2","100","2","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H19 N3 S2 -","- C9 H19 N3 S2 -","- C72 H152 N24 S16 -","8","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","0.71073","MoKα","","0.0341","0.03","","","0.0637","0.0652","","","","","","1.153","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245954","17.8848","0.0014","6.9574","0.0004","23.625","0.0017","90","","90","","90","","2939.7","0.4","100","2","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C11 H23.23 N3 S2 -","- C11 H23.2315 N3 S2 -","- C88 H185.852 N24 S16 -","8","2","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","0.71073","MoKα","","0.078","0.0589","","","0.1132","0.1276","","","","","","1.097","","","","has coordinates,has disorder","281436","2023-03-04","18:15:58",""
"7245955","9.0734","0.0009","13.2194","0.0013","13.1558","0.0014","90","","107.249","0.004","90","","1507","0.3","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H21 N5 S -","- C13 H21 N5 S -","- C52 H84 N20 S4 -","4","1","","Renier, Olivier; Bousrez, Guillaume; Smetana, Volodymyr; Mudring, Anja-Verena; Rogers, Robin D.","Investigation of the role of hydrogen bonding in ionic liquid-like salts with both N- and S-soft donors","CrystEngComm","2023","25","4","530","540","10.1039/D2CE00961G","","","0.71073","MoKα","","0.0823","0.0748","","","0.1862","0.1937","","","","","","1.035","","","","has coordinates","281436","2023-03-04","18:15:58",""
"7245956","9.7566","0.001","23.006","0.002","13.329","0.0013","90","","109.053","0.002","90","","2827.9","0.5","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H29 N O -","- C38 H29 N O -","- C152 H116 N4 O4 -","4","1","","Zhuang, Hongfeng; Hou, Qin; Han, Feng; Lv, Haotian; Miao, Chengxia","Heteropolyacid catalyzed O-alkylation of oximes with alcohols via a carbocation in dimethyl carbonate and mechanism insight","Green Chemistry","2023","25","1","310","317","10.1039/D2GC03214G","","","0.71073","MoKα","","0.0939","0.0487","","","0.1079","0.1339","","","","","","1.0678","","","","has coordinates","281471","2023-03-04","18:24:00",""
"7245959","15.5585","0.0002","16.1849","0.0003","7.6725","0.0001","90","","100.337","0.002","90","","1900.68","0.05","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Cu N8 O -","- C21 H13 Cu N8 O -","- C84 H52 Cu4 N32 O4 -","4","1","","Tang, Ping; Xie, Xue-Xian; Huang, Zi-Yuan; Kuang, Zhi-Yang; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Two Cu(i) coordination polymers based on a new benzimidazolyl-tetrazolyl heterotopic ligand for visible-light-driven photocatalytic dye degradation","CrystEngComm","2023","25","3","417","424","10.1039/D2CE01497A","","","1.54184","CuKα","","0.0373","0.0333","","","0.0954","0.0971","","","","","","1.035","","","","has coordinates","281460","2023-03-04","18:21:33",""
"7245960","10.6532","0.0005","16.4768","0.0008","13.9291","0.0007","90","","102.397","0.002","90","","2388","0.2","298","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cu N9 O -","- C24 H20 Cu N9 O -","- C96 H80 Cu4 N36 O4 -","4","1","","Tang, Ping; Xie, Xue-Xian; Huang, Zi-Yuan; Kuang, Zhi-Yang; Cai, Song-Liang; Zhang, Wei-Guang; Zheng, Sheng-Run","Two Cu(i) coordination polymers based on a new benzimidazolyl-tetrazolyl heterotopic ligand for visible-light-driven photocatalytic dye degradation","CrystEngComm","2023","25","3","417","424","10.1039/D2CE01497A","","","0.71073","MoKα","","0.1251","0.0627","","","0.1575","0.1822","","","","","","1.07","","","","has coordinates","281460","2023-03-04","18:21:33",""
"7245961","23.862","0.003","23.862","0.003","7.2102","0.0014","90","","90","","90","","4105.5","1.1","293","2","293","2","","","","","","","","6","I 4/m m m","-I 4 2","139","","","","- C2.25 H1.5 Cl0.06 Cu0.25 N O1.25 -","- C2.25 H1.5 Cl0.0625 Cu0.25 N O1.25 -","- C72 H48 Cl2 Cu8 N32 O40 -","32","1","","Chen, Di-Ming; Zhang, Xue-Jing","Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property","CrystEngComm","2023","25","3","467","472","10.1039/D2CE01496C","","","0.71073","MoKα","","0.0718","0.0663","","","0.1906","0.1986","","","","","","1.175","","","","has coordinates","281457","2023-03-04","18:21:01",""
"7245962","13.7089","0.0004","26.6171","0.0006","15.8127","0.0004","90","","90","","90","","5769.9","0.3","293","2","293","2","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C20 H17 Cu2 N6.5 O6.5 -","- C20 H17 Cu2 N6.5 O6.5 -","- C160 H136 Cu16 N52 O52 -","8","1","","Chen, Di-Ming; Zhang, Xue-Jing","Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property","CrystEngComm","2023","25","3","467","472","10.1039/D2CE01496C","","","0.71073","MoKα","","0.062","0.055","","","0.155","0.1602","","","","","","1.069","","","","has coordinates","281457","2023-03-04","18:21:01",""
"7245963","26.3697","0.0017","13.479","0.0012","15.7382","0.0006","90","","90","","90","","5593.9","0.7","273","2","273.15","","","","","","","","","5","P b a n :2","-P 2ab 2b","50","","","","- C20 H16 Cu2 N6.5 O7.5 -","- C20 H16 Cu2 N6.5 O7.5 -","- C160 H128 Cu16 N52 O60 -","8","1","","Chen, Di-Ming; Zhang, Xue-Jing","Enhancing the stability of metal–organic framework via ligand modification: scalable synthesis and high selectivity of CO2 sorption property","CrystEngComm","2023","25","3","467","472","10.1039/D2CE01496C","","","0.71073","MoKα","","0.1414","0.1254","","","0.3314","0.3426","","","","","","1.148","","","","has coordinates,has disorder","281457","2023-03-04","18:21:01",""
"7245964","8.9457","0.0006","9.3395","0.0006","8.9601","0.0006","90","","92.48","0.002","90","","747.9","0.09","100","2","100.15","","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C7 H9 N3 O2 -","- C7 H9 N3 O2 -","- C28 H36 N12 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0593","0.0554","","","0.1487","0.1524","","","","","","1.049","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245965","6.9655","0.0003","9.4546","0.0005","14.4579","0.0007","90","","90.205","0.002","90","","952.13","0.08","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N3 O2 -","- C9 H13 N3 O2 -","- C36 H52 N12 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0494","0.0417","","","0.0954","0.099","","","","","","1.075","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245966","9.828","0.001","14.0136","0.0014","15.9826","0.0016","101.543","0.003","96.517","0.003","94.398","0.002","2131.6","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C8 H12 N4 O5 -","- C8 H12 N4 O5 -","- C64 H96 N32 O40 -","8","4","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","1.54178","CuKα","","0.0547","0.0535","","","0.1558","0.1572","","","","","","1.069","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245967","6.7614","0.0003","17.1948","0.0007","9.2263","0.0004","90","","102.643","0.002","90","","1046.65","0.08","173","2","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H15 N3 O2 -","- C10 H15 N3 O2 -","- C40 H60 N12 O8 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.043","0.0369","","","0.0964","0.1001","","","","","","1.048","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245968","8.1649","0.0007","40.876","0.003","10.4997","0.0008","90","","92.5","0.002","90","","3500.9","0.5","100","2","100.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N3 O2 -","- C8 H11 N3 O2 -","- C128 H176 N48 O32 -","16","4","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0652","0.0416","","","0.0896","0.0994","","","","","","1.02","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245969","9.9111","0.0009","10.2045","0.0009","15.5393","0.0014","81.938","0.004","74.159","0.004","62.779","0.003","1344.3","0.2","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C10 H18 N4 O6 -","- C10 H18 N4 O6 -","- C40 H72 N16 O24 -","4","2","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","1.54178","CuKα","","0.0367","0.0362","","","0.0996","0.1001","","","","","","1.076","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245970","4.6981","0.0002","14.0421","0.0006","14.3987","0.0008","90","","99.168","0.002","90","","937.76","0.08","100","2","100.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 N4 O3 -","- C8 H10 N4 O3 -","- C32 H40 N16 O12 -","4","1","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","0.71073","MoKα","","0.0436","0.0363","","","0.0889","0.093","","","","","","1.0525","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245971","9.3661","0.0003","36.0462","0.0012","7.5101","0.0003","90","","109.84","0.001","90","","2385.01","0.15","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N4 O5 -","- C9 H14 N4 O5 -","- C72 H112 N32 O40 -","8","2","","García-Raso, Angel; Terrón, Angel; Fiol, Juan J.; López-Zafra, Adela; Picó, Gemma; Vázquez-López, Ezequiel M.; Barceló-Oliver, Miquel; Frontera, Antonio","Synthesis, structural characterization and DFT study of N-(pyrimidyl)-ω-amino acids/peptide: β-alanine, γ-aminobutyric acid, 5-aminovaleric acid, 6-aminohexanoic acid and glycylglycine","CrystEngComm","2023","25","2","233","244","10.1039/D2CE01293F","","","1.54178","CuKα","","0.0621","0.0597","","","0.1507","0.1523","","","","","","1.0445","","","","has coordinates","281439","2023-03-04","18:16:43",""
"7245972","15.916","0.002","13.6511","0.0017","12.5195","0.0015","90","","107.201","0.004","90","","2598.5","0.6","273","2","273","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N7 O3 S2 Zn -","- C25 H24 N7 O3 S2 Zn -","- C100 H96 N28 O12 S8 Zn4 -","4","0.5","","Debsharma, Kingshuk; Dey, Sunanda; Das, Dhananjoy; Halder, Satyajit; Ortega-Castro, Joaquin; Sarkar, Sarita; Dutta, Basudeb; Maity, Suvendu; Jana, Kuladip; Frontera, Antonio; Ray, Partha Pratim; Sinha, Chittaranjan","Designing of a Zn(ii)-isonicotinohydrazido thiophenyl based 2D coordination polymer: structure, augmented photoconductivity and superior biological activity","CrystEngComm","2023","25","1","162","172","10.1039/D2CE01128J","","","0.71073","MoKα","","0.066","0.0489","","","0.1249","0.1385","","","","","","1.066","","","","has coordinates,has disorder","281408","2023-03-04","18:08:39",""
"7245973","11.7823","0.0009","17.2564","0.0012","8.5563","0.0005","90","","90","","90","","1739.7","0.2","273","2","273","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H13 N O2 S -","- C22 H13 N O2 S -","- C88 H52 N4 O8 S4 -","4","1","","Chen, Shiliu; Yan, Qinqin; Fan, Jie; Guo, Changyou; Li, Lijun; Liu, Zhong-Quan; Li, Zejiang","Photo-induced spirocyclization of biaryl ynones with ammonium thiocyanate: access to thiocyanate-featured spiro[5,5]trienones","Green Chemistry","2023","25","1","153","160","10.1039/D2GC03710F","","","0.71073","MoKα","","0.0415","0.0339","","","0.0732","0.0788","","","","","","1.049","","","","has coordinates","281472","2023-03-04","18:24:06",""
"7245974","9.705","0.001","16.0805","0.0014","13.7744","0.0013","90","","93.165","0.009","90","","2146.4","0.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 F3 N3 -","- C26 H22 F3 N3 -","- C104 H88 F12 N12 -","4","1","","Sharma, Himanshi; Kumar, Manoj; Sethi, Aaftaab; Poonam,; Rathi, Brijesh","Metal-free construction of aminated isoquinoline frameworks from 2-(2-oxo-2-arylethyl) benzonitrile in an aqueous medium","Green Chemistry","2023","25","1","167","171","10.1039/D2GC04044A","","x-ray","0.71073","MoKα","","0.198","0.0777","","","0.1986","0.2893","","","","","","0.992","","","","has coordinates,has disorder","281470","2023-03-04","18:23:53",""
"7245980","6.4885","0.0006","14.7897","0.0014","13.388","0.0012","90","","97.518","0.003","90","","1273.7","0.2","273","2","273","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl4 Fe N O -","- C7 H12 Cl4 Fe N O -","- C28 H48 Cl16 Fe4 N4 O4 -","4","1","","González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar","Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions","CrystEngComm","2023","25","4","579","592","10.1039/D2CE01549H","","","1.54178","CuKα","","0.0655","0.0524","","","0.1632","0.1773","","","","","","1.3","","","","has coordinates","281427","2023-03-04","18:13:16",""
"7245981","6.445","","14.509","","13.037","","90","","97.96","","90","","1207.35","","296.15","","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H12 Cl4 Fe N O -","- C7 H12 Cl4 Fe N O -","- C28 H48 Cl16 Fe4 N4 O4 -","4","1","","González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar","Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions","CrystEngComm","2023","25","4","579","592","10.1039/D2CE01549H","","","1.45567","neutrons","","0.0422","0.0422","","","0.1011","0.1011","","","","","","1.293","","","","has coordinates","281427","2023-03-04","18:13:16",""
"7245982","6.4131","0.0001","14.5111","0.0002","13.5715","0.0002","90","","90.415","0.001","90","","1262.95","0.03","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C7 H13 Cl4 Fe N O1.5 -","- C7 H13 Cl4 Fe N O1.5 -","- C28 H52 Cl16 Fe4 N4 O6 -","4","1","","González-Izquierdo, Palmerina; de Pedro, Imanol; Cañadillas-Delgado, Laura; Beobide, Garikoitz; Vallcorba, Oriol; Sánchez-Andújar, Manuel; Fernández-Díaz, María Teresa; Fernández, Jesús Rodríguez; Fabelo, Oscar","Tailoring the physical properties of hybrid magnetic quinuclidine-based plastic compounds via weak interactions","CrystEngComm","2023","25","4","579","592","10.1039/D2CE01549H","","","0.71073","MoKα","","0.0238","0.0213","","","0.0467","0.0481","","","","","","1.051","","","","has coordinates","281427","2023-03-04","18:13:16",""
"7245983","21.3546","0.0013","8.2429","0.0006","27.6061","0.0018","90","","102.563","0.003","90","","4743","0.5","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H30 O3 -","- C33 H30 O3 -","- C264 H240 O24 -","8","2","","Salla, Cristian A. M.; Farias, Giliandro; Sturm, Ludmilla; Dechambenoit, Pierre; Durola, Fabien; Murat, Aydemir; de Souza, Bernardo; Bock, Harald; Monkman, Andrew P.; Bechtold, Ivan H.","The effect of substituents and molecular aggregation on the room temperature phosphorescence of a twisted π-system.","Physical chemistry chemical physics : PCCP","2022","25","1","684","689","10.1039/d2cp04658j","","","0.71073","MoKα","","0.0646","0.0436","","","0.1048","0.1153","","","","","","1.037","","","","has coordinates","281601","2023-03-04","18:45:42",""
"7245990","15.6207","0.0007","11.8216","0.0005","17.4359","0.0008","90","","102.544","0.002","90","","3142.9","0.2","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C38 H26 N4 O7 Zn -","- C38 H26 N4 O7 Zn -","- C152 H104 N16 O28 Zn4 -","4","1","","Fan, Chuanbin; Huang, Guimei; Xing, Zhiyong; Wang, Junli; Pang, Yaqin; Huang, Qingping; Huang, Shifu; Zong, Ziao; Guo, Feng","Three multi-responsive luminescent Zn-CPs for the detection of antibiotics/cations/anions in aqueous media","CrystEngComm","2023","25","4","593","600","10.1039/D2CE01507B","","","0.71073","MoKα","","0.11","0.0531","","","0.0856","0.109","","","","","","1.054","","","","has coordinates","281429","2023-03-04","18:14:03",""
"7245991","24.4085","0.0008","7.3774","0.0002","16.2629","0.0005","90","","91.409","0.001","90","","2927.6","0.15","170","","170","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C34 H26 N4 O6 Zn -","- C34 H26 N4 O6 Zn -","- C136 H104 N16 O24 Zn4 -","4","1","","Fan, Chuanbin; Huang, Guimei; Xing, Zhiyong; Wang, Junli; Pang, Yaqin; Huang, Qingping; Huang, Shifu; Zong, Ziao; Guo, Feng","Three multi-responsive luminescent Zn-CPs for the detection of antibiotics/cations/anions in aqueous media","CrystEngComm","2023","25","4","593","600","10.1039/D2CE01507B","","","0.71073","MoKα","","0.0681","0.0484","","","0.0977","0.1062","","","","","","1.138","","","","has coordinates","281429","2023-03-04","18:14:03",""
"7245992","15.2073","0.0006","15.9899","0.0006","17.3921","0.0007","115.193","0.001","101.925","0.001","92.73","0.001","3700.1","0.3","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C92 H60 N8 O14 Zn2 -","- C92 H60 N8 O14 Zn2 -","- C184 H120 N16 O28 Zn4 -","2","1","","Fan, Chuanbin; Huang, Guimei; Xing, Zhiyong; Wang, Junli; Pang, Yaqin; Huang, Qingping; Huang, Shifu; Zong, Ziao; Guo, Feng","Three multi-responsive luminescent Zn-CPs for the detection of antibiotics/cations/anions in aqueous media","CrystEngComm","2023","25","4","593","600","10.1039/D2CE01507B","","","0.71073","MoKα","","0.0977","0.0551","","","0.098","0.1188","","","","","","1.055","","","","has coordinates","281429","2023-03-04","18:14:03",""
"7245994","7.685","0.002","9.764","0.003","52.921","0.016","90","","90","","90","","3971","2","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H56 N6 O4 -","- C41 H56 N6 O4 -","- C164 H224 N24 O16 -","4","1","","Tiwari, Shubhanshu Ranjan; Gopi, Shanmukha Prasad; Kallem, Divya Jyothi; Chaturvedi, Deepika; Voguri, Raja Sekhar; Ramakrishnan, Srividya; Dey, Archan; Pal, Sharmistha","Physicochemical and thermodynamic evaluation of ibrutinib cocrystal formation with a long-chain fatty acid","CrystEngComm","2023","25","4","601","613","10.1039/D2CE01216B","","","0.71073","MoKα","","0.107","0.0599","","","0.1209","0.1385","","","","","","1.041","","","","has coordinates","281434","2023-03-04","18:15:21",""
"7245995","7.8327","0.0011","8.7671","0.0013","10.3665","0.0015","109.953","0.006","105.723","0.006","95.799","0.007","629.2","0.16","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C11 H7 Cl2 Cu N O4 -","- C11 H7 Cl2 Cu N O4 -","- C22 H14 Cl4 Cu2 N2 O8 -","2","1","","Naaz, Sanobar; Das, Pubali; Mukherjee, Souvik; Khan, Samim; Pramanik, Goutam; Ghosh, Prasanta; Frontera, Antonio; Ray, Partha Pratim; Mir, Mohammad Hedayetullah","Exploration of Cl⋯Cl and π⋯π stacking contacts along with the conductivity properties of a Cu-MOF featured with paddle-wheel SBUs","CrystEngComm","2023","25","5","813","821","10.1039/D2CE01331B","","","0.71073","MoKα","","0.0863","0.0841","","","0.2641","0.2653","","","","","","1.021","","","","has coordinates","281423","2023-03-04","18:12:37",""
"7245996","3.9181","0.0006","24.592","0.003","13.0589","0.0012","90","","96.386","0.011","90","","1250.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.0706","0.0497","","","0.1209","0.1407","","","","","","1.058","","","","has coordinates","281459","2023-03-04","18:21:21",""
"7245997","8.0931","0.0003","14.2729","0.0005","11.3085","0.0006","90","","94.304","0.004","90","","1302.58","0.1","293.23","0.1","293.23","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.0555","0.05","","","0.1432","0.1494","","","","","","1.057","","","","has coordinates","281459","2023-03-04","18:21:21",""
"7245998","7.4169","0.0002","14.166","0.003","11.8164","0.0003","90","","101.101","0.0011","90","","1218.3","0.3","90","2","90","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","","0.71073","MoKα","","0.0444","0.0383","","","0.0978","0.102","","","","","","1.052","","","","has coordinates,has disorder","281459","2023-03-04","18:21:21",""
"7245999","7.4767","0.0012","10.7575","0.0017","17.909","0.003","75.646","0.014","83.673","0.013","79.935","0.014","1370.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","2","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.1069","0.0567","","","0.1323","0.174","","","","","","1.005","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7246000","6.8139","0.0001","24.3841","0.0005","7.4421","0.0001","90","","93.896","0.002","90","","1233.65","0.04","300.42","0.1","300.42","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","x-ray","1.54184","CuKα","","0.0438","0.0397","","","0.1167","0.1203","","","","","","1.096","","","","has coordinates","281459","2023-03-04","18:21:21",""
"7246001","19.3362","0.0012","10.0456","0.0006","14.15","0.0007","90","","107.503","0.006","90","","2621.3","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C128 H96 N16 O16 -","8","1","","Li, Yuping; Tao, Yang; Zhoujin, Yunping; Zhao, Fang; Liang, Peng-Yu; Parkin, Sean; Li, Tonglei; Zhou, Pan-Pan; Long, Sihui","π–π stacking in the polymorphism of 2-(naphthalenylamino)-nicotinic acids and a comparison with their analogues","CrystEngComm","2023","25","3","432","443","10.1039/D2CE01233B","","","1.54184","CuKα","","0.0557","0.0433","","","0.1168","0.1316","","","","","","1.041","","","","has coordinates,has disorder","281459","2023-03-04","18:21:21",""
"7246005","40.3","0.006","40.3","0.006","5.176","0.001","90","","90","","120","","7280","2","220","2","220","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C120 H98 N12 O13 -","- C120 H98.0002 N12 O13 -","- C360 H294.001 N36 O39 -","3","0.166667","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Hexagon and network structured organic geometrical isomers with distinct intramolecular H-bonding and stimuli-induced self-reversible fluorescence switching","CrystEngComm","2023","25","3","460","466","10.1039/D2CE01361D","","","0.65","synchrotron","","0.071","0.0573","","","0.1746","0.1826","","","","","","1.144","","","","has coordinates,has disorder","281464","2023-03-04","18:22:51",""
"7246006","8.349","0.0017","16.722","0.003","11.913","0.002","90","","95.15","0.03","90","","1656.5","0.5","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O2 -","- C20 H16 N2 O2 -","- C80 H64 N8 O8 -","4","1","","Gayathri, Parthasarathy; Ravi, Sasikala; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Hexagon and network structured organic geometrical isomers with distinct intramolecular H-bonding and stimuli-induced self-reversible fluorescence switching","CrystEngComm","2023","25","3","460","466","10.1039/D2CE01361D","","","0.63","synchrotron","","0.0578","0.0545","","","0.1563","0.1594","","","","","","1.108","","","","has coordinates","281464","2023-03-04","18:22:51",""
"7246009","8.024","0.005","26.656","0.016","11.743","0.007","90","","107.018","0.009","90","","2402","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 O13 Tb2 -","- C24 H14 O13 Tb2 -","- C96 H56 O52 Tb8 -","4","1","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","","0.71073","MoKα","","0.1026","0.0865","","","0.166","0.174","","","","","","1.135","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246010","9.9148","","9.9148","","7.48","","90","","90","","120","","636.796","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","Pentalead Tris(phosphate(V)) Iodide","","- I O12 P3 Pb5 -","- I O12 P3 Pb5 -","- I2 O24 P6 Pb10 -","2","0.166667","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","","","","","","","","","","","","","","","","","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246011","5.1171","0.0006","7.2429","0.0007","11.4209","0.0011","85.712","0.005","77.27","0.005","80.208","0.005","406.56","0.07","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 Cu N4 O10 -","- C14 H14 Cu N4 O10 -","- C14 H14 Cu N4 O10 -","1","0.5","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","","0.71073","MoKα","","0.0551","0.0395","","","0.0848","0.0917","","","","","","1.006","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246012","5.0894","0.0003","7.1344","0.0003","11.405","0.0004","86.127","0.003","77.266","0.004","81.424","0.004","399.15","0.03","99.9","0.4","99.9","0.4","","","","","","","","5","P -1","-P 1","2","","","","- C7 H7 Cu0.5 N2 O5 -","- C7 H7 Cu0.5 N2 O5 -","- C14 H14 Cu N4 O10 -","2","1","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","x-ray","1.54184","CuKα","","0.0393","0.0359","","","0.0975","0.099","","","","","","1.093","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246013","10.5484","0.0002","22.2344","0.0006","7.2264","0.00018","90","","102.125","0.002","90","","1657.05","0.07","100","0.2","100","0.2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Cu N2 O8 -","- C17 H16 Cu N2 O8 -","- C68 H64 Cu4 N8 O32 -","4","1","","Dazem, Cyrielle L. F.; Inge, A. Ken; Luneau, Dominique; Öhrström, Lars; Nenwa, Justin","Synthesis, structure and magnetic properties of two bis(oxalato)cuprate(ii) salts with pyridinium type counter ions","CrystEngComm","2023","25","10","1479","1485","10.1039/D2CE01513G","","x-ray","1.54184","CuKα","","0.0287","0.026","","","0.0732","0.0745","","","","","","1.067","","","","has coordinates","282314","2023-04-04","10:08:22",""
"7246014","6.8727","0.0009","7.4757","0.001","10.7012","0.0013","75.161","0.012","88.164","0.011","77.878","0.012","519.48","0.12","293","","293","","","","","","","","","5","P 1","P 1","1","","1","","- C20 H19 I O6 S -","- C20 H19 I O6 S -","- C20 H19 I O6 S -","1","1","","Peng, Chuxiong; Gu, Fengyan; Lin, Xiaofeng; Ding, Ning; Zhan, Qichen; Cao, Peng; Cao, Tao","Highly selective catalyst- and additive-free iodosulfonylation of cyclopropenes in water","Green Chemistry","2023","25","2","671","677","10.1039/D2GC04296G","","x-ray","1.54184","CuKα","","0.1093","0.0875","","","0.212","0.2652","","","","","","1.056","","","","has coordinates","281476","2023-03-04","18:24:43",""
"7246015","23.393","0.005","8.6036","0.0019","13.597","0.003","90","","107.497","0.007","90","","2610","1","296","","296","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 N10 O6 Zn -","- C22 H28 N10 O6 Zn -","- C88 H112 N40 O24 Zn4 -","4","0.5","","Pramanik, Samit; Hossain, Anowar; Pathak, Sudipta; Ghosh Chowdhury, Sougata; Karmakar, Parimal; Frontera, Antonio; Mukhopadhyay, Subrata","Revealing the supramolecular features of two Zn(ii) complexes derived from a new hydrazone ligand: a combined crystallographic, theoretical and antibacterial study","CrystEngComm","2023","25","5","866","876","10.1039/D2CE01445A","","","0.71073","MoKα","","0.0573","0.0363","","","0.0842","0.088","","","","","","0.972","","","","has coordinates","281420","2023-03-04","18:11:31",""
"7246016","9.473","0.004","13.927","0.006","13.293","0.005","90","","105.063","0.005","90","","1693.5","1.2","296","","296","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 Cl3 N5 O2 Zn -","- C11 H14 Cl3 N5 O2 Zn -","- C44 H56 Cl12 N20 O8 Zn4 -","4","1","","Pramanik, Samit; Hossain, Anowar; Pathak, Sudipta; Ghosh Chowdhury, Sougata; Karmakar, Parimal; Frontera, Antonio; Mukhopadhyay, Subrata","Revealing the supramolecular features of two Zn(ii) complexes derived from a new hydrazone ligand: a combined crystallographic, theoretical and antibacterial study","CrystEngComm","2023","25","5","866","876","10.1039/D2CE01445A","","","0.71073","MoKα","","0.0608","0.0346","","","0.0715","0.0804","","","","","","0.971","","","","has coordinates","281420","2023-03-04","18:11:31",""
"7246017","6.9649","0.0004","13.9228","0.0009","21.536","0.0014","106.716","0.002","91.562","0.002","103.885","0.002","1931.2","0.2","298","2","298","","","","","","","","","5","P -1","-P 1","2","","4-4","","- C33 H20 N2 O4 S6 -","- C33 H20 N2 O4 S6 -","- C66 H40 N4 O8 S12 -","2","1","","Zhang, Yu; Hu, Li-Yuan; Luo, Xu-Feng; Shen, Liangjun; Li, Zhong-Qiu; Ke, Si-Wen; Li, Xing; Xiao, Xunwen","A hybrid bonding strategy for tetrathiafulvalene-based hydrogen-bonded organic frameworks with electrical- and photo-conductivity","CrystEngComm","2023","25","4","508","512","10.1039/D2CE01614A","","","0.71073","MoKα","","0.1116","0.0777","","","0.2687","0.292","","","","","","1.114","","","","has coordinates","281432","2023-03-04","18:15:03",""
"7246018","6.261","0.0003","19.6413","0.0009","32.8415","0.0015","90","","94.938","0.001","90","","4023.7","0.3","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3","","- C33 H20 N2 O4 S6 -","- C33 H20 N2 O4 S6 -","- C132 H80 N8 O16 S24 -","4","1","","Zhang, Yu; Hu, Li-Yuan; Luo, Xu-Feng; Shen, Liangjun; Li, Zhong-Qiu; Ke, Si-Wen; Li, Xing; Xiao, Xunwen","A hybrid bonding strategy for tetrathiafulvalene-based hydrogen-bonded organic frameworks with electrical- and photo-conductivity","CrystEngComm","2023","25","4","508","512","10.1039/D2CE01614A","","","0.71073","MoKα","","0.1548","0.1219","","","0.3874","0.4128","","","","","","1.65","","","","has coordinates","281432","2023-03-04","18:15:03",""
"7246019","6.1","0.002","6.259","0.002","15.42","0.002","85.66","0.002","80.031","0.002","74.466","0.002","558.4","0.3","143","2","143","2","","","","","","","","4","P -1","-P 1","2","pregabalin","3-(aminomethyl)-5-methylhexanoic acid","","- C8 H19 N O3 -","- C8 H19 N O3 -","- C16 H38 N2 O6 -","2","1","","Bosits, Miklós H.; Bereczki, Laura; Bombicz, Petra; Szalay, Zsófia; Pataki, Hajnalka; Demeter, Ádám","Design of diastereomeric salt resolution via multicomponent system characterization: a case study with hydrate formation","CrystEngComm","2023","25","4","641","652","10.1039/D2CE01490D","","","0.71073","MoKα","","0.1286","0.0921","","","0.2419","0.2678","","","","","","1.162","","","","has coordinates,has disorder","281428","2023-03-04","18:13:23",""
"7246020","18.40122","0.00019","17.9816","0.0002","22.503","0.0003","90","","103.67","0.0011","90","","7234.95","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N5 O4 -","- C19 H21 N5 O4 -","- C304 H336 N80 O64 -","16","4","","Tan, Sang Loon; Tan, Yee Seng; Bin Shahari, Muhammad Syafiq; Junaid, Ahmad; Dolzhenko, Anton V.; Tiekink, Edward R. T.","Ethanol- and heat-mediated phase change from a kinetic (Z′ = 4) polymorph to a thermodynamic (Z′ = 1) polymorph for an N2,6-diaryl-1,3,5-triazine-2,4-diamine","CrystEngComm","2023","25","5","798","812","10.1039/D2CE01548J","","","1.54184","CuKα","","0.0461","0.0384","","","0.0995","0.1053","","","","","","1.032","","","","has coordinates","281419","2023-03-04","18:11:21",""
"7246021","7.85094","0.00007","17.15939","0.00018","14.25371","0.00012","90","","101.586","0.0008","90","","1881.1","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N5 O4 -","- C19 H21 N5 O4 -","- C76 H84 N20 O16 -","4","1","","Tan, Sang Loon; Tan, Yee Seng; Bin Shahari, Muhammad Syafiq; Junaid, Ahmad; Dolzhenko, Anton V.; Tiekink, Edward R. T.","Ethanol- and heat-mediated phase change from a kinetic (Z′ = 4) polymorph to a thermodynamic (Z′ = 1) polymorph for an N2,6-diaryl-1,3,5-triazine-2,4-diamine","CrystEngComm","2023","25","5","798","812","10.1039/D2CE01548J","","","1.54184","CuKα","","0.0362","0.0347","","","0.096","0.0976","","","","","","1.048","","","","has coordinates","281419","2023-03-04","18:11:21",""
"7246024","16.053","0.003","7.0422","0.0014","21.68","0.004","90","","107.705","0.003","90","","2334.8","0.8","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Ag2 I3 N3 -","- C18 H20 Ag2 I3 N3 -","- C72 H80 Ag8 I12 N12 -","4","1","","Chen, Jing-Jing; Huang, Chang-Qi; Yi, Hong-Mei; Lv, Zhou-Lin; Wu, Wei; Zheng, Hui-Dong; Li, Hao-Hong","Tuning the photocurrent responsive and resistive switching performances of stilbazolium/iodoargentate hybrids by modulating the aggregation mode among chromophores","CrystEngComm","2023","25","4","632","640","10.1039/D2CE01609E","","","0.71073","MoKα","","0.0528","0.0382","","","0.0852","0.0917","","","","","","1.065","","","","has coordinates","281433","2023-03-04","18:15:13",""
"7246025","7.1992","0.0004","13.5373","0.0008","22.6977","0.0014","90","","90.181","0.001","90","","2212.1","0.2","173","","173","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 Ag2 I3 N2 O -","- C17 H21 Ag2 I3 N2 O -","- C68 H84 Ag8 I12 N8 O4 -","4","1","","Chen, Jing-Jing; Huang, Chang-Qi; Yi, Hong-Mei; Lv, Zhou-Lin; Wu, Wei; Zheng, Hui-Dong; Li, Hao-Hong","Tuning the photocurrent responsive and resistive switching performances of stilbazolium/iodoargentate hybrids by modulating the aggregation mode among chromophores","CrystEngComm","2023","25","4","632","640","10.1039/D2CE01609E","","","0.71073","MoKα","","0.0473","0.0426","","","0.1131","0.1156","","","","","","1.18","","","","has coordinates,has disorder","281433","2023-03-04","18:15:13",""
"7246026","8.1248","0.0007","13.8287","0.0012","22.9897","0.0019","100.297","0.002","93.606","0.002","103.612","0.002","2455.1","0.4","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C36 H46 Ag5 I7 N4 O4 -","- C36 H46 Ag5 I7 N4 O4 -","- C72 H92 Ag10 I14 N8 O8 -","2","1","","Chen, Jing-Jing; Huang, Chang-Qi; Yi, Hong-Mei; Lv, Zhou-Lin; Wu, Wei; Zheng, Hui-Dong; Li, Hao-Hong","Tuning the photocurrent responsive and resistive switching performances of stilbazolium/iodoargentate hybrids by modulating the aggregation mode among chromophores","CrystEngComm","2023","25","4","632","640","10.1039/D2CE01609E","","","0.71073","MoKα","","0.0561","0.0401","","","0.0902","0.0967","","","","","","1.058","","","","has coordinates,has disorder","281433","2023-03-04","18:15:13",""
"7246027","6.6663","0.0008","12.5943","0.0014","10.8361","0.0011","90","","91.856","0.01","90","","909.29","0.18","242.98","0.1","242.98","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 N2 O3 S -","- C7 H10 N2 O3 S -","- C28 H40 N8 O12 S4 -","4","1","","Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong","The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium","CrystEngComm","2023","25","5","822","827","10.1039/D2CE01521H","","x-ray","1.54184","CuKα","","0.1196","0.1079","","","0.2922","0.3153","","","","","","1.106","","","","has coordinates","281417","2023-03-04","18:10:54",""
"7246028","12.6831","0.0003","10.8758","0.0002","6.7333","0.0002","90","","90","","90","","928.78","0.04","327.97","0.1","327.97","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H10 N2 O4 S -","- C7 H10 N2 O4 S -","- C28 H40 N8 O16 S4 -","4","0.5","","Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong","The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium","CrystEngComm","2023","25","5","822","827","10.1039/D2CE01521H","","x-ray","1.54184","CuKα","","0.0685","0.0662","","","0.2212","0.226","","","","","","1.125","","","","has coordinates,has disorder","281417","2023-03-04","18:10:54",""
"7246029","12.6737","0.0004","10.861","0.0004","6.7004","0.0002","90","","90","","90","","922.3","0.05","292.96","0.1","292.96","0.1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C7 H10 N2 O4 S -","- C7 H10 N2 O4 S -","- C28 H40 N8 O16 S4 -","4","0.5","","Yu, Zihong; You, Xiuli; Du, Wenqing; Peng, Ziqin; Guo, Wenjing; Wei, Zhenhong","The mechanism of two reversible phase transitions and dielectric anomalies in a single-component organic molecule 1-sulfo-4-dimethylamino-pyridinium","CrystEngComm","2023","25","5","822","827","10.1039/D2CE01521H","","x-ray","1.54184","CuKα","","0.0787","0.0735","","","0.2213","0.2287","","","","","","1.111","","","","has coordinates,has disorder","281417","2023-03-04","18:10:54",""
"7246035","14.192","0.004","3.6287","0.0009","15.065","0.003","90","","97.547","0.007","90","","769.1","0.3","298","2","298","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","1","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.1281","0.0791","","","0.1532","0.1726","","","","","","1.083","","","","has coordinates","281416","2023-03-04","18:10:40",""
"7246036","11.839","0.005","11.905","0.006","12.412","0.005","93.001","0.016","116.196","0.017","113.954","0.014","1376.1","1.1","360","2","360","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.4441","0.1244","","","0.1771","0.3065","","","","","","0.937","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246037","11.855","0.004","11.927","0.005","12.429","0.004","93.021","0.016","116.163","0.016","113.993","0.013","1382.2","0.9","355","2","355","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.3987","0.1287","","","0.1479","0.2369","","","","","","0.929","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246038","11.7567","0.0003","11.7617","0.0003","12.4158","0.0003","92.673","","115.837","","115.556","","1334.57","0.06","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","","0.71073","MoKα","","0.0651","0.0423","","","0.1499","0.0887","","","","","","1","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246039","11.819","0.003","11.875","0.004","12.418","0.004","92.958","0.009","116.097","0.01","114.336","0.01","1367.1","0.8","310","","310","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.2744","0.1036","","","0.1699","0.2485","","","","","","0.955","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246040","11.7567","0.0003","11.7617","0.0003","12.4158","0.0003","92.673","","115.837","","115.556","","1334.57","0.06","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","","0.71073","MoKα","","0.0063","0.0054","","","0.0166","0.0206","","","","","","0.997","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246041","11.7567","0.0003","11.7617","0.0003","12.4158","0.0003","92.673","","115.837","","115.556","","1334.57","0.06","100","2","100","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","","0.71073","MoKα","","0.0528","0.0294","","","0.0428","0.0331","","","","","","1.006","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246042","11.849","0.007","11.915","0.007","12.432","0.008","92.987","0.016","116.174","0.014","114.04","0.015","1379.8","1.5","350","2","350","","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N O8.5 -","- C13 H14 N O8.5 -","- C52 H56 N4 O34 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.4006","0.1358","","","0.2096","0.3477","","","","","","1.0497","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246043","7.37","0.02","8.24","0.02","11.73","0.03","79.49","0.09","89.55","0.11","89.28","0.12","700","3","363","2","363","2","","","","","","","","3","P -1","-P 1","2","","","","- C7 H6 O5 -","- C7 H6 O5 -","- C28 H24 O20 -","4","2","","Iqbal, Infal; Mehmood, Arshad; Noureen, Sajida; Lecomte, Claude; Ahmed, Maqsood","Crystal engineering, electron density analysis, and in situ variable temperature studies on co-crystal between nicotinic acid and gallic acid sesquihydrate","CrystEngComm","2023","25","5","770","784","10.1039/D2CE01149B","","x-ray","0.71073","MoKα","","0.4601","0.0882","","","0.1326","0.2508","","","","","","0.892","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7246045","10.9825","0.0001","22.9575","0.0002","23.0079","0.0002","90","","98.137","0.001","90","","5742.6","0.09","100","2","100.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H56 Dy5 N3 O24 -","- C46 H59 Dy5 N3 O24 -","- C184 H236 Dy20 N12 O96 -","4","1","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","x-ray","1.54184","CuKα","","0.0534","0.0486","","","0.1218","0.1244","","","","","","1.111","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246046","10.925","0.0003","11.2522","0.0004","16.2537","0.0005","96.322","0.003","98.838","0.002","111.745","0.003","1803.23","0.11","293","2","293","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Cl6 Dy4 N6 O14 -","- C60 H64 Cl6 Dy4 N6 O14 -","- C60 H64 Cl6 Dy4 N6 O14 -","1","0.5","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","","0.71073","MoKα","","0.0425","0.0293","","","0.0597","0.0658","","","","","","1.045","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246047","22.636","0.0003","16.7245","0.0002","23.9473","0.0003","90","","90","","90","","9065.9","0.2","293","2","293","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C82 H84 Dy6 N6 O32 -","- C80 H96 Dy6 N8 O32 -","- C320 H384 Dy24 N32 O128 -","4","0.5","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","x-ray","0.71073","MoKα","","0.0487","0.0382","","","0.0887","0.0967","","","","","","1.127","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246048","14.1814","0.0005","15.2007","0.0007","17.7267","0.0006","79.139","0.003","89.186","0.003","64.683","0.004","3382.9","0.3","293","2","293","","","","","","","","","5","P -1","-P 1","2","","","","- C62 H60 Dy2 N6 O14 -","- C62 H64 Dy2 N6 O14 -","- C124 H128 Dy4 N12 O28 -","2","1","","Li, Wen-Qiang; Ma, Meng-Xia; Ni, Qing-Ling; Li, Shi-Ming; Gui, Liu-Cheng; Wang, Xiu-Jian","Synthesis, structures and magnetic properties of four dysprosium-based complexes with a multidentate ligand with steric constraint","CrystEngComm","2023","25","4","614","621","10.1039/D2CE01201D","","","0.71073","MoKα","","0.0738","0.0471","","","0.0862","0.1062","","","","","","1.094","","","","has coordinates","281430","2023-03-04","18:14:31",""
"7246049","7.9459","0.0009","13.5525","0.0012","15.5352","0.0009","90","","90","","90","","1672.9","0.3","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H25 N O7 S -","- C13 H25 N O7 S -","- C52 H100 N4 O28 S4 -","4","1","","Kuhl, Nadine; Turnbull, Ben W. H.; Ji, Yining; Larson, Reed T.; Shevlin, Michael; Prier, Christopher K.; Chung, Cheol K.; Desmond, Richard; Guetschow, Erik; He, Cyndi Qixin; Itoh, Tetsuji; Kuethe, Jeffrey T.; Newman, Justin A.; Reibarkh, Mikhail; Rivera, Nelo R.; Shang, Gao; Wang, Zhixun; Zewge, Daniel; Thaisrivongs, David A.","Utilizing biocatalysis and a sulfolane-mediated reductive acetal opening to access nemtabrutinib from cyrene","Green Chemistry","2023","25","2","606","613","10.1039/D2GC04117K","","","1.54184","CuKα","","0.0329","0.0307","","","0.0803","0.0823","","","","","","1.049","","","","has coordinates","281478","2023-03-04","18:24:56",""
"7246050","6.1009","0.0003","12.5179","0.0006","19.3009","0.0011","90","","90","","90","","1474.02","0.13","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N O5 S -","- C13 H19 N O5 S -","- C52 H76 N4 O20 S4 -","4","1","","Kuhl, Nadine; Turnbull, Ben W. H.; Ji, Yining; Larson, Reed T.; Shevlin, Michael; Prier, Christopher K.; Chung, Cheol K.; Desmond, Richard; Guetschow, Erik; He, Cyndi Qixin; Itoh, Tetsuji; Kuethe, Jeffrey T.; Newman, Justin A.; Reibarkh, Mikhail; Rivera, Nelo R.; Shang, Gao; Wang, Zhixun; Zewge, Daniel; Thaisrivongs, David A.","Utilizing biocatalysis and a sulfolane-mediated reductive acetal opening to access nemtabrutinib from cyrene","Green Chemistry","2023","25","2","606","613","10.1039/D2GC04117K","","","1.54178","CuKα","","0.0479","0.0431","","","0.1073","0.111","","","","","","1.074","","","","has coordinates,has disorder","281478","2023-03-04","18:24:56",""
"7246051","6.7731","0.0006","10.9956","0.0011","12.2301","0.0006","72.319","0.007","75.206","0.006","77.254","0.008","828.85","0.12","199.99","0.1","199.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H16 Fe O2 -","- C23 H16 Fe O2 -","- C46 H32 Fe2 O4 -","2","1","","Lv, Hong; Wang, Xinchao; Hao, Yanzhao; Ma, Chao; Li, Shangda; Li, Gang; Zhang, Jian","Rhodium(ii)-catalyzed C–H carboxylation of ferrocenes with CO2","Green Chemistry","2023","25","2","554","559","10.1039/D2GC04337H","","x-ray","1.3405","GaKα","","0.0712","0.0563","","","0.139","0.161","","","","","","1.109","","","","has coordinates","281479","2023-03-04","18:25:11",""
"7246052","10.4854","0.0004","11.7036","0.0004","12.3518","0.0004","72.325","0.003","79.087","0.003","75.017","0.003","1384.97","0.09","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 Fe O3 -","- C18 H14 Fe O3 -","- C72 H56 Fe4 O12 -","4","2","","Lv, Hong; Wang, Xinchao; Hao, Yanzhao; Ma, Chao; Li, Shangda; Li, Gang; Zhang, Jian","Rhodium(ii)-catalyzed C–H carboxylation of ferrocenes with CO2","Green Chemistry","2023","25","2","554","559","10.1039/D2GC04337H","","x-ray","1.3405","GaKα","","0.0404","0.0373","","","0.0993","0.1011","","","","","","1.024","","","","has coordinates","295359","2024-10-08","18:26:32",""
"7246053","19.733","0.002","11.4151","0.001","45.913","0.004","90","","90.061","0.005","90","","10342.1","1.7","273","2","273","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C30 H36 Co2 N4 O9.33 S -","- C30 H36 Co2 N4 O9.3333 S -","- C360 H432 Co24 N48 O112 S12 -","12","3","","Sarkar, Rabi Sankar; Biswas, Animesh; Ray, Partha Pratim; Gomila, Rosa M.; Drew, Michael G. B.; Banerjee, Snehasis; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the non-covalent interactions in the solid state structures of dinuclear cobalt(ii) complexes with N,O-donor ligands: application of the complexes in the fabrication of Schottky devices","CrystEngComm","2023","25","6","1006","1017","10.1039/D2CE01282K","","","0.71073","MoKα","","0.0551","0.0418","","","0.1075","0.1152","","","","","","1.093","","","","has coordinates","281444","2023-03-04","18:17:39",""
"7246054","10.9212","0.0017","11.0738","0.0017","18.188","0.003","81.668","0.005","83.745","0.005","64.344","0.004","1959.2","0.5","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C34 H44 Co2 N4 O9 S2 -","- C34 H44 Co2 N4 O9 S2 -","- C68 H88 Co4 N8 O18 S4 -","2","1","","Sarkar, Rabi Sankar; Biswas, Animesh; Ray, Partha Pratim; Gomila, Rosa M.; Drew, Michael G. B.; Banerjee, Snehasis; Frontera, Antonio; Chattopadhyay, Shouvik","An insight into the non-covalent interactions in the solid state structures of dinuclear cobalt(ii) complexes with N,O-donor ligands: application of the complexes in the fabrication of Schottky devices","CrystEngComm","2023","25","6","1006","1017","10.1039/D2CE01282K","","","0.71073","MoKα","","0.0581","0.0441","","","0.1348","0.157","","","","","","0.835","","","","has coordinates,has disorder","281444","2023-03-04","18:17:39",""
"7246055","11.9543","0.0002","8.3309","0.0001","24.4205","0.0004","90","","102.103","0.002","90","","2377.98","0.07","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10.8 H8.8 Cl0.4 N0.4 O0.8 S0.4 Se0.4 -","- C10.8 H8.8 Cl0.4 N0.4 O0.8 S0.4 Se0.4 -","- C108 H88 Cl4 N4 O8 S4 Se4 -","10","2.5","","Satyanarayana, Appanapalli N. V.; Mukherjee, Nilanjana; Chatterjee, Tanmay","100% atom-economical and highly regio- and stereoselective iodosulfenylation of alkynes: a reagentless and sustainable approach to access (E)-β-iodoalkenyl sulfides and (Z)-tamoxifen","Green Chemistry","2023","25","2","779","788","10.1039/D2GC04101D","","x-ray","1.54184","CuKα","","0.0403","0.0371","","","0.1043","0.1065","","","","","","1.116","","","","has coordinates","281475","2023-03-04","18:24:37",""
"7246056","17.9022","0.0003","6.0537","0.0001","34.1626","0.0006","90","","91.27","0.002","90","","3701.45","0.11","220","","220","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C21 H14 I N S2 -","- C21 H14 I N S2 -","- C168 H112 I8 N8 S16 -","8","1","","Satyanarayana, Appanapalli N. V.; Mukherjee, Nilanjana; Chatterjee, Tanmay","100% atom-economical and highly regio- and stereoselective iodosulfenylation of alkynes: a reagentless and sustainable approach to access (E)-β-iodoalkenyl sulfides and (Z)-tamoxifen","Green Chemistry","2023","25","2","779","788","10.1039/D2GC04101D","","x-ray","1.54184","CuKα","","0.0451","0.0449","","","0.1001","0.1002","","","","","","1.182","","","","has coordinates,has disorder","281475","2023-03-04","18:24:37",""
"7246057","12.2143","0.0001","14.3299","0.0001","28.9827","0.0001","94.412","0.001","100.883","0.001","110.808","0.001","4599.03","0.07","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C99 H102 Cu3 N7 O8 S7 -","- C99 H102 Cu3 N7 O8 S7 -","- C198 H204 Cu6 N14 O16 S14 -","2","1","","Ruduss, Armands; Belyakov, Sergey; Stucere, Kitija A.; Vembris, Aivars; Traskovskis, Kaspars","Light emission mechanism in dimers of carbene-metal-amide complexes.","Physical chemistry chemical physics : PCCP","2023","25","4","3220","3231","10.1039/d2cp05237g","","x-ray","1.54184","CuKα","","0.0339","0.0326","","","0.0905","0.0916","","","","","","1.0354","","","","has coordinates","281602","2023-03-04","18:45:54",""
"7246058","13.1244","0.0003","35.681","0.0005","14.415","0.0003","90","","116.81","0.002","90","","6024.8","0.2","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C121 H134 Cu4 N8 O8 S8 -","- C121 H134 Cu4 N8 O8 S8 -","- C242 H268 Cu8 N16 O16 S16 -","2","0.5","","Ruduss, Armands; Belyakov, Sergey; Stucere, Kitija A.; Vembris, Aivars; Traskovskis, Kaspars","Light emission mechanism in dimers of carbene-metal-amide complexes.","Physical chemistry chemical physics : PCCP","2023","25","4","3220","3231","10.1039/d2cp05237g","","x-ray","1.54184","CuKα","","0.0494","0.045","","","0.1256","0.1294","","","","","","1.032","","","","has coordinates,has disorder","281602","2023-03-04","18:45:55",""
"7246059","12.0496","0.0005","10.0022","0.0003","17.5237","0.0006","90","","100.888","0.002","90","","2073.98","0.13","300","","300","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C36 H28 Cl2 N10 Ni -","- C36 H28 Cl2 N10 Ni -","- C72 H56 Cl4 N20 Ni2 -","2","0.5","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.065","0.0574","","","0.1625","0.1685","","","","","","1.059","","","","has coordinates","281424","2023-03-04","18:12:48",""
"7246060","8.9394","0.0009","9.4121","0.0009","10.6613","0.001","72.028","0.002","70.686","0.002","77.774","0.002","799.2","0.13","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N5 O -","- C18 H15 N5 O -","- C36 H30 N10 O2 -","2","1","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.0919","0.0526","","","0.1261","0.1496","","","","","","1.022","","","","has coordinates","281424","2023-03-04","18:12:49",""
"7246061","7.623","0.011","10.098","0.015","11.325","0.017","110.36","0.03","103.14","0.03","95.07","0.03","782","2","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H13 Cl N5 -","- C18 H14 Cl N5 -","- C36 H28 Cl2 N10 -","2","1","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.1672","0.0803","","","0.2193","0.305","","","","","","0.942","","","","has coordinates","281424","2023-03-04","18:12:49",""
"7246062","24.2098","0.0006","10.0344","0.0002","17.4741","0.0004","90","","101.13","0.001","90","","4165.16","0.16","293","","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C36 H41 Cl Co N10 O8 -","- C36 H41 Cl Co N10 O8 -","- C144 H164 Cl4 Co4 N40 O32 -","4","1","","Cai, He-Qun; Xin, Yu; Jiang, Shan; Bai, Feng-Ying; Xing, Yong-Heng","Ni(ii) and Co(ii) complexes for the selective adsorption of anionic dyes from aqueous solutions","CrystEngComm","2023","25","5","848","858","10.1039/D2CE01636B","","","0.71073","MoKα","","0.084","0.0674","","","0.2103","0.2266","","","","","","1.098","","","","has coordinates","281424","2023-03-04","18:12:49",""
"7246063","18.1682","0.0002","21.115","0.0002","23.715","0.0003","90.108","0.001","109.627","0.001","106.649","0.001","8161.1","0.17","103","2","103","2","","","","","","","","6","P -1","-P 1","2","","","","- C266 H377 Cu12 Dy14 N30 O119.5 -","- C266 H377 Cu12 Dy14 N30 O119.25 -","- C266 H377 Cu12 Dy14 N30 O119.25 -","1","0.5","","Yu, Shui; Hu, Huancheng; Qiu, Zhihui; Zhang, Yuzhen; Liu, Dongcheng; Liang, Yuning; Zou, Hua-Hong; Liang, Fu-Pei; Chen, Zilu","Structure and assembly mechanism of a centipede-shaped high-nuclear Dy14Cu12 heterometallic nanocluster","CrystEngComm","2023","25","1","114","121","10.1039/D2CE01291J","","","1.54184","CuKα","","0.0609","0.0555","","","0.1448","0.15","","","","","","1.018","","","","has coordinates,has disorder","280071","2023-01-01","00:18:39",""
"7246064","3.812","0.003","8.905","0.004","10.498","0.005","90","","95.02","0.04","90","","355","0.4","293","2","293","2","","","","","","","","5","P 1 c 1","P -2yc","7","","5-nitrobenzo[<i>c</i>][1,2,5]thiadiazole","","- C6 H3 N3 O2 S -","- C6 H3 N3 O2 S -","- C12 H6 N6 O4 S2 -","2","1","","Gentile, Francesco Silvio; Parisi, Emmanuele; Centore, Roberto","Journeys in crystal energy landscapes: actual and virtual structures in polymorphic 5-nitrobenzo[c][1,2,5]thiadiazole","CrystEngComm","2023","25","5","859","865","10.1039/D2CE01619B","","x-ray","0.71073","MoKα","","0.0717","0.0478","","","0.1085","0.1229","","","","","","1.044","","","","has coordinates","281421","2023-03-04","18:11:36",""
"7246065","8.4102","0.0002","24.2114","0.0006","15.6405","0.0004","90","","91.32","0.001","90","","3183.92","0.14","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H25 O17.5 Zn3 -","- C32 H24 O17.5 Zn3 -","- C128 H96 O70 Zn12 -","4","1","","He, Yuan-Chun; Yu, Hao-Long; Zhao, Kai-Yang; Wang, Yao; Geng, Chang-Sheng; Wu, Shuang; Yang, Hong-Kun; Zhao, Fang-Hua","Three new Zn(ii) coordination polymers for highly selective and sensitive detection of Fe3+","CrystEngComm","2023","25","2","328","336","10.1039/D2CE01382G","","","0.71073","MoKα","","0.0444","0.0356","","","0.1003","0.1062","","","","","","1.069","","","","has coordinates","280082","2023-01-03","23:34:18",""
"7246066","7.1877","0.0003","10.8583","0.0004","12.6345","0.0005","104.476","0.001","91.4","0.001","94.091","0.001","951.42","0.07","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H13 N0 O9.5 Zn2 -","- C16 H12 O9.5 Zn2 -","- C32 H24 O19 Zn4 -","2","1","","He, Yuan-Chun; Yu, Hao-Long; Zhao, Kai-Yang; Wang, Yao; Geng, Chang-Sheng; Wu, Shuang; Yang, Hong-Kun; Zhao, Fang-Hua","Three new Zn(ii) coordination polymers for highly selective and sensitive detection of Fe3+","CrystEngComm","2023","25","2","328","336","10.1039/D2CE01382G","","","0.71073","MoKα","","0.0259","0.0252","","","0.085","0.0855","","","","","","1.022","","","","has coordinates,has disorder","280082","2023-01-03","23:34:18",""
"7246067","24.416","0.002","13.1343","0.0013","18.2143","0.0019","90","","97.684","0.003","90","","5788.6","1","293","2","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H56 N10 O15.5 Zn3 -","- C57 H56 N10 O15.5 Zn3 -","- C228 H224 N40 O62 Zn12 -","4","1","","He, Yuan-Chun; Yu, Hao-Long; Zhao, Kai-Yang; Wang, Yao; Geng, Chang-Sheng; Wu, Shuang; Yang, Hong-Kun; Zhao, Fang-Hua","Three new Zn(ii) coordination polymers for highly selective and sensitive detection of Fe3+","CrystEngComm","2023","25","2","328","336","10.1039/D2CE01382G","","","0.71076","MoKα","","0.0903","0.0665","","","0.1773","0.1925","","","","","","1.053","","","","has coordinates,has disorder","280082","2023-01-03","23:34:19",""
"7246068","6.7166","0.0012","9.3699","0.0017","12.656","0.002","68.667","0.017","79.026","0.015","72.896","0.016","706","0.2","179.99","0.1","179.99","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C17 H16 Cl N3 -","- C17 H16 Cl N3 -","- C34 H32 Cl2 N6 -","2","1","","Liu, Qingqing; Ci, Chenggang; Zhao, He; Xie, Rong; Jiang, HuanFeng; Zhang, Min","Direct access to functional phenazines via oxidative annulation of anilines and o-phenylenediamines with a reusable cobalt catalyst","Green Chemistry","2023","25","2","678","683","10.1039/D2GC03878A","","x-ray","1.54184","CuKα","","0.0893","0.067","","","0.1771","0.1991","","","","","","1.047","","","","has coordinates","281480","2023-03-04","18:25:18",""
"7246077","23.2569","0.001","19.241","0.0008","28.2143","0.0014","90","","101.344","0.002","90","","12378.9","1","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C108 H141 Co7 Dy N15 O43 -","- C102 H102 Co7 Dy N12 O28 -","- C408 H408 Co28 Dy4 N48 O112 -","4","1","","Wang, Hui-Sheng; Yu, Chun-Fang; Ye, Si-Qi; Chen, Yong; Liu, Xueru; Wu, Yanfang; Zhou, Pengfei; Zhang, Yi-Quan","Modulating the structural topologies from star-shape to cross-shape for Co–Dy heterometallic complexes with slow magnetic relaxation behavior","CrystEngComm","2023","25","5","726","737","10.1039/D2CE01381A","","","0.71073","MoKα","","0.1038","0.0648","","","0.1294","0.142","","","","","","1.083","","","","has coordinates","281418","2023-03-04","18:11:08",""
"7246078","11.9878","0.0017","13.463","0.0019","19.444","0.003","103.072","0.002","97.912","0.002","100.201","0.002","2956.3","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C48 H55 Co2 Dy2 N12 O25.5 -","- C44 H44 Co2 Dy2 N10 O23 -","- C88 H88 Co4 Dy4 N20 O46 -","2","1","","Wang, Hui-Sheng; Yu, Chun-Fang; Ye, Si-Qi; Chen, Yong; Liu, Xueru; Wu, Yanfang; Zhou, Pengfei; Zhang, Yi-Quan","Modulating the structural topologies from star-shape to cross-shape for Co–Dy heterometallic complexes with slow magnetic relaxation behavior","CrystEngComm","2023","25","5","726","737","10.1039/D2CE01381A","","","0.71073","MoKα","","0.0736","0.0457","","","0.0842","0.0895","","","","","","1.146","","","","has coordinates","281418","2023-03-04","18:11:08",""
"7246079","6.8","0.1","11.2","0.2","17.7","0.4","78.4","0.5","83.9","0.5","72.9","0.5","1261","4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","triphenylene-TCNQ","","- C30 H16 N4 -","- C30 H16 N4 -","- C60 H32 N8 -","2","1","","Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R.","The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)","CrystEngComm","2023","25","5","828","834","10.1039/D2CE01127A","","","0.0335","electron","","0.502","0.4104","","","0.6773","0.7287","","","","","","2.925","","","","has coordinates","281426","2023-03-04","18:13:09",""
"7246080","9.4","0.2","7.18","0.05","32.2","0.2","90","","98.4","0.5","90","","2150","5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","TCNQF2, Triphenylene","7,7,8,8-tetracyanoquinodimethane, 9,10-Benzophenanthrene Isochrysene Benzo[l]phenanthrene","","- C30 H14 F2 N4 -","- C30 H14 F2 N4 -","- C120 H56 F8 N16 -","4","1","","Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R.","The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)","CrystEngComm","2023","25","5","828","834","10.1039/D2CE01127A","","","0.0335","electron","","0.373","0.3066","","","0.6648","0.7159","","","","","","1.156","","","","has coordinates","281426","2023-03-04","18:13:09",""
"7246081","17.8","0.4","17.4","0.3","9.2","0.18","90","","130.3","0.5","90","","2173","8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","Triphenylene-TCNQF4","","- C30 H12 F4 N4 -","- C30 H12 F4 N4 -","- C120 H48 F16 N16 -","4","0.5","","Payne, Simon; Andrusenko, Iryna; Papi, Francesco; Potticary, Jason; Gemmi, Mauro; Hall, Simon R.","The crystal structure and electronic properties of three novel charge transfer co-crystals TCNQFn–triphenylene (n = 0, 2, 4)","CrystEngComm","2023","25","5","828","834","10.1039/D2CE01127A","","","0.0335","electron","","0.4199","0.3533","","","0.5815","0.6369","","","","","","2.461","","","","has coordinates","281426","2023-03-04","18:13:09",""
"7246082","20.123","0.005","21.977","0.006","20.646","0.006","90","","95.924","0.01","90","","9082","4","200","2","200","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C66 H76 F10 N4 -","- C66 H76 F10 N4 -","- C264 H304 F40 N16 -","4","0.5","","Dai, Siyu; Liu, Yuqi; Li, Yanghua; Jin, Nanhao; Wang, Xinying; Liu, Xiaoming; Chen, Han; Zhao, Yue; Luo, Huilong; Li, Wei","Three novel coordination polymers as bifunctional materials for the photocatalytic degradation of dyes and the oxygen evolution reaction in alkaline solutions","CrystEngComm","2023","25","5","785","797","10.1039/D2CE01306A","","","0.71073","MoKα","","0.1966","0.1377","","","0.3982","0.4714","","","","","","1.6081","","","","has coordinates","281422","2023-03-04","18:12:31",""
"7246083","22.241","0.008","10.099","0.004","20.932","0.007","90","","93.166","0.006","90","","4694","3","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Co N6 O4 -","- C24 H23 Co N6 O4 -","- C192 H184 Co8 N48 O32 -","8","1","","Dai, Siyu; Liu, Yuqi; Li, Yanghua; Jin, Nanhao; Wang, Xinying; Liu, Xiaoming; Chen, Han; Zhao, Yue; Luo, Huilong; Li, Wei","Three novel coordination polymers as bifunctional materials for the photocatalytic degradation of dyes and the oxygen evolution reaction in alkaline solutions","CrystEngComm","2023","25","5","785","797","10.1039/D2CE01306A","","","0.71073","MoKα","","0.1112","0.0921","","","0.2291","0.244","","","","","","1.045","","","","has coordinates,has disorder","281422","2023-03-04","18:12:31",""
"7246084","8.94","0.005","12.233","0.005","14.394","0.005","87.621","0.005","72.178","0.005","77.266","0.005","1461.2","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H20 N8 O10 Zn2 -","- C23 H20 N8 O10 Zn2 -","- C46 H40 N16 O20 Zn4 -","2","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.071","0.0509","","","0.1156","0.1246","","","","","","1.091","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246085","8.1969","0.0008","9.3522","0.0009","10.159","0.001","104.479","0.003","113.104","0.003","105.177","0.003","634.41","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N8 O10 Zn2 -","- C22 H20 N8 O10 Zn2 -","- C22 H20 N8 O10 Zn2 -","1","0.5","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0432","0.04","","","0.1044","0.1063","","","","","","1.126","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246086","10.8004","0.0008","15.8656","0.0013","16.4535","0.0013","90","","91.071","0.003","90","","2818.9","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cd2 N8 O10 -","- C23 H20 Cd2 N8 O10 -","- C92 H80 Cd8 N32 O40 -","4","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0301","0.0227","","","0.0534","0.0587","","","","","","1.105","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246087","8.7683","0.0007","12.2482","0.0009","14.431","0.0009","87.618","0.002","72.671","0.002","77.004","0.003","1441.05","0.18","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H18 N8 O10 Zn2 -","- C23 H18 N8 O10 Zn2 -","- C46 H36 N16 O20 Zn4 -","2","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.1033","0.0899","","","0.24","0.2565","","","","","","1.02","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246088","10.8053","0.0012","15.8625","0.0017","16.4783","0.0018","90","","90.987","0.003","90","","2823.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Cd2 N8 O10 -","- C23 H20 Cd2 N8 O10 -","- C92 H80 Cd8 N32 O40 -","4","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0511","0.0379","","","0.0888","0.1013","","","","","","1.058","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246089","8.4948","0.0008","8.8675","0.0008","9.1411","0.0009","62.811","0.002","72.947","0.002","87.063","0.002","582.78","0.1","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C18 H21 Cd N8 O8 -","- C18 H21 Cd N8 O8 -","- C18 H21 Cd N8 O8 -","1","1","","Dinda, Susanta; Pahari, Goutam; Maiti, Anupam; Ghoshal, Debajyoti","Solvent induced reversible single-crystal-to-single-crystal structural transformation in dynamic metal organic frameworks: a case of enhanced hydrogen sorption in polycatenated framework","CrystEngComm","2023","25","7","1116","1125","10.1039/D2CE01559E","","","0.71073","MoKα","","0.0149","0.0149","","","0.0406","0.0406","","","","","","1.09","","","","has coordinates","281450","2023-03-04","18:18:58",""
"7246090","10.639","0.003","11.7","0.002","13.178","0.003","77.2","0.01","75.01","0.04","66","0.01","1434.9","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Cl N5 O10 -","- C28 H32 Cl N5 O10 -","- C56 H64 Cl2 N10 O20 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0744","0.0546","","","0.1532","0.175","","","","","","0.929","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246091","9.761","0.001","10.491","0.001","14.285","0.002","69.04","0.01","80.93","0.01","82.77","0.01","1345.1","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 Cl N5 O5 -","- C29 H30 Cl N5 O5 -","- C58 H60 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0441","0.038","","","0.1005","0.1053","","","","","","1.022","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246092","11.189","0.001","11.669","0.001","12.054","0.002","102.4","0.05","113.18","0.04","108.06","0.05","1269.3","1.1","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H30 Cl N5 O5 -","- C25 H30 Cl N5 O5 -","- C50 H60 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0836","0.057","","","0.1745","0.2038","","","","","","1.251","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246093","10.615","0.001","11.596","0.001","11.894","0.001","101.11","0.05","111.12","0.05","108.46","0.04","1215.1","0.9","300","2","300","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H29 Cl N5 O5 -","- C24 H29 Cl N5 O5 -","- C48 H58 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0725","0.0533","","","0.1283","0.142","","","","","","1.031","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246094","24.266","0.004","6.249","0.001","17.38","0.002","90","","110.14","0.04","90","","2474.3","0.9","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 Cl N5 O6 -","- C25 H27 Cl N5 O6 -","- C100 H108 Cl4 N20 O24 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0824","0.0586","","","0.1279","0.1393","","","","","","1.044","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246095","14.917","0.001","10.099","0.001","16.199","0.001","90","","103.04","0.01","90","","2377.4","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl N5 O6 -","- C24 H25 Cl N5 O6 -","- C96 H100 Cl4 N20 O24 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0661","0.0454","","","0.1316","0.158","","","","","","0.982","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246096","18.068","0.009","9.615","0.005","16.759","0.008","90","","116.929","0.007","90","","2596","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 Cl N7 O4 -","- C27 H28 Cl N7 O4 -","- C108 H112 Cl4 N28 O16 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.1523","0.0728","","","0.1911","0.2466","","","","","","1.274","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246097","10.4","0.001","11.282","0.001","11.611","0.001","103.39","0.02","108.85","0.02","106.42","0.02","1155.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H28 Cl N5 O5 -","- C24 H28 Cl N5 O5 -","- C48 H56 Cl2 N10 O10 -","2","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.0854","0.0686","","","0.1676","0.1808","","","","","","1.031","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246098","12.954","0.005","10.892","0.004","19.82","0.009","90","","98.09","0.01","90","","2768.7","1.9","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Cl N5 O6 -","- C29 H30 Cl N5 O6 -","- C116 H120 Cl4 N20 O24 -","4","1","","Rekha Rout, Smruti; Kenguva, Gowtham; Giri, Lopamudra; Dandela, Rambabu","Novel salts of the antiemetic drug domperidone: synthesis, characterization and physicochemical property investigation","CrystEngComm","2023","25","4","513","524","10.1039/D2CE00902A","","","0.71073","MoKα","","0.1324","0.0557","","","0.1357","0.1999","","","","","","0.96","","","","has coordinates","281431","2023-03-04","18:14:55",""
"7246099","10.37099","0.00005","5.98542","0.00003","7.72496","0.00004","90","","116.584","0.0005","90","","428.831","0.004","293","","293","1","","","","","","","","4","C 1 2/m 1","-C 2y","12","K5Eu(MoO4)4","K5Eu(MoO4)4","","- Eu K5 Mo4 O16 -","- Eu K5 Mo4 O16 -","- Eu K5 Mo4 O16 -","1","0.125","","Posokhova, Svetlana M.; Morozov, Vladimir A.; Deyneko, Dina V.; Redkin, Boris S.; Spassky, Dmitry A.; Nagirnyi, Vitali; Belik, Alexei A.; Hadermann, Joke; Pavlova, Erzhena T.; Lazoryak, Bogdan I.","K5Eu(MoO4)4 red phosphor for solid state lighting applications, prepared by different techniques","CrystEngComm","2023","25","5","835","847","10.1039/D2CE01107G","powder diffraction","x-ray","0.65297","synchrotron","","0.0983","0.0927","","0.1293","0.1284","","","","5.32","","","","","","","has coordinates","281425","2023-03-04","18:13:00",""
"7246100","8.278","0.003","13.527","0.004","12.503","0.004","90","","90","","90","","1400","0.8","295","","295","","","","","","","","","4","P n a 21","P 2c -2n","33","","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","1","","Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M.","Solvent induced conformational polymorphism","CrystEngComm","2023","25","6","971","980","10.1039/D2CE01681H","","x-ray","0.71073","MoKα","","0.0582","0.032","","","0.0541","0.0605","","","","","","1.027","","","","has coordinates","281448","2023-03-04","18:18:20",""
"7246101","6.3129","0.0003","30.172","0.0012","7.2937","0.0004","90","","90","","90","","1389.25","0.11","295","","295","","","","","","","","","4","P n m a","-P 2ac 2n","62","MBFP","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","0.5","","Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M.","Solvent induced conformational polymorphism","CrystEngComm","2023","25","6","971","980","10.1039/D2CE01681H","","x-ray","0.71073","MoKα","","0.1015","0.0578","","","0.12","0.1354","","","","","","1.108","","","","has coordinates","281448","2023-03-04","18:18:21",""
"7246102","4.1264","0.0006","10.7891","0.0016","31.194","0.004","90","","90","","90","","1388.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,5-bis(3-bromophenyl)furan","","- C16 H10 Br2 O -","- C16 H10 Br2 O -","- C64 H40 Br8 O4 -","4","1","","Dyk, Konrad; Kinzhybalo, Vasyl; Czernel, Grzegorz; Grudziński, Wojciech; Horak, Yuriy; Butenko, Serhii; Kamiński, Daniel M.","Solvent induced conformational polymorphism","CrystEngComm","2023","25","6","971","980","10.1039/D2CE01681H","","x-ray","0.71073","MoKα","","0.265","0.0966","","","0.1438","0.1874","","","","","","1.006","","","","has coordinates","281448","2023-03-04","18:18:21",""
"7246103","8.6693","0.0013","7.9704","0.0006","9.8968","0.0007","90","","105.644","0.009","90","","658.51","0.12","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.077","0.0413","","","0.0895","0.1108","","","","","","1.069","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246104","8.5435","0.0009","7.5706","0.0004","9.2993","0.0005","90","","111.2","0.006","90","","560.77","0.08","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0587","0.0366","","","0.0792","0.0883","","","","","","1.092","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246105","8.6626","0.001","7.9208","0.0004","9.782","0.0005","90","","106.599","0.007","90","","643.22","0.09","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.064","0.0369","","","0.0814","0.1008","","","","","","1.052","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246106","8.496","0.005","7.51","0.002","9.249","0.003","90","","111.96","0.03","90","","547.3","0.4","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0595","0.0377","","","0.0849","0.0985","","","","","","1.139","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246107","8.6512","0.0013","7.8496","0.0006","9.6513","0.0008","90","","107.785","0.009","90","","624.08","0.12","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0554","0.0375","","","0.0728","0.082","","","","","","1.052","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246108","8.6567","0.0016","7.8828","0.0007","9.7114","0.0009","90","","107.244","0.011","90","","632.91","0.15","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0599","0.0352","","","0.0783","0.0937","","","","","","1.097","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246109","8.6419","0.001","7.8197","0.0004","9.6036","0.0006","90","","108.174","0.007","90","","616.61","0.09","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.058","0.0365","","","0.0849","0.0946","","","","","","1.042","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246110","8.672","0.0006","7.9508","0.0003","9.8213","0.0003","90","","106.235","0.004","90","","650.17","0.06","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.033","0.0253","","","0.0612","0.0642","","","","","","1.071","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246111","8.616","0.005","7.706","0.002","9.438","0.003","90","","109.78","0.03","90","","589.7","0.4","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0502","0.0348","","","0.071","0.076","","","","","","1.038","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246112","8.6285","0.0009","7.7531","0.0004","9.4944","0.0005","90","","109.104","0.005","90","","600.17","0.08","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.029","0.0236","","","0.0592","0.0622","","","","","","1.103","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246113","8.5889","0.0009","7.6517","0.0004","9.3709","0.0005","90","","110.256","0.005","90","","577.77","0.08","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0286","0.0236","","","0.0601","0.0624","","","","","","1.093","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246114","8.526","0.002","7.5312","0.0009","9.2654","0.0012","90","","111.625","0.013","90","","553.07","0.17","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0516","0.0333","","","0.0708","0.0797","","","","","","1.106","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246115","8.562","0.002","7.6058","0.0009","9.3306","0.0012","90","","110.868","0.013","90","","567.76","0.17","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0616","0.0397","","","0.0841","0.092","","","","","","1.045","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246116","8.574","0.0013","7.6158","0.0005","9.3347","0.0007","90","","110.657","0.007","90","","570.35","0.11","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.0308","0.0262","","","0.0634","0.0659","","","","","","1.141","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246117","8.6334","0.0014","7.7827","0.0007","9.5468","0.0009","90","","108.729","0.01","90","","607.49","0.13","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.047","0.0298","","","0.0662","0.072","","","","","","1.067","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246118","8.6185","0.0007","7.7238","0.0003","9.4573","0.0004","90","","109.454","0.004","90","","593.61","0.06","293.15","","293.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Glyphosate","N-(Phosphonomethyl)glycine","","- C3 H8 N O5 P -","- C3 H8 N O5 P -","- C12 H32 N4 O20 P4 -","4","1","","Wilson, Cameron J. G.; Wood, Peter A.; Parsons, Simon","Discerning subtle high-pressure phase transitions in glyphosate","CrystEngComm","2023","25","6","988","997","10.1039/D2CE01616H","","","0.56086","AgKα","","0.031","0.0242","","","0.0626","0.0658","","","","","","1.097","","","","has coordinates","281446","2023-03-04","18:18:06",""
"7246122","25.911","0.004","4.6748","0.0007","23.299","0.004","90","","104.436","0.002","90","","2733.1","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 N O6 -","- C13 H15 N O6 -","- C104 H120 N8 O48 -","8","1","","Das, Tamal Kanti; Rodriguez Treviño, Agustin M.; Pandiri, Sanjay; Irvankoski, Sini; Siitonen, Juha H.; Rodriguez, Sara M.; Yousufuddin, Muhammed; Kürti, László","Catalyst-free transfer hydrogenation of activated alkenes exploiting isopropanol as the sole and traceless reductant","Green Chemistry","2023","25","2","746","754","10.1039/D2GC04315G","","","0.71073","MoKα","","0.0746","0.0504","","","0.1097","0.1221","","","","","","1.035","","","","has coordinates","281477","2023-03-04","18:24:49",""
"7246123","6.5868","0.0015","8.2313","0.0018","11.126","0.003","106.015","0.003","97.159","0.003","95.387","0.003","570.1","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H12 O4 -","- C13 H12 O4 -","- C26 H24 O8 -","2","1","","Das, Tamal Kanti; Rodriguez Treviño, Agustin M.; Pandiri, Sanjay; Irvankoski, Sini; Siitonen, Juha H.; Rodriguez, Sara M.; Yousufuddin, Muhammed; Kürti, László","Catalyst-free transfer hydrogenation of activated alkenes exploiting isopropanol as the sole and traceless reductant","Green Chemistry","2023","25","2","746","754","10.1039/D2GC04315G","","","0.71073","MoKα","","0.0703","0.0449","","","0.1116","0.1289","","","","","","1.035","","","","has coordinates","281477","2023-03-04","18:24:49",""
"7246127","8.1197","0.0006","8.363","0.0006","8.3902","0.0005","94.326","0.005","99.044","0.005","110.439","0.005","521.98","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","6-(4,6-diamino-1,3,5-triazin-2-yl)pyridin-2(1H)-one methanol solvate","","- C9 H12 N6 O2 -","- C9 H12 N6 O2 -","- C18 H24 N12 O4 -","2","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0555","0.0427","","","0.1127","0.1227","","","","","","1.025","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246128","7.8788","0.0003","8.8064","0.0003","8.8494","0.0003","115.81","0.001","99.266","0.002","97.192","0.002","532.2","0.03","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H9 I N6 O -","- C8 H9 I N6 O -","- C16 H18 I2 N12 O2 -","2","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0433","0.0426","","","0.12","0.1217","","","","","","1.143","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246129","8.0907","0.0005","8.6941","0.0005","10.2522","0.0007","72.622","0.003","88.326","0.003","68.746","0.003","638.89","0.07","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H16 N6 O3 -","- C11 H16 N6 O3 -","- C22 H32 N12 O6 -","2","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0509","0.0437","","","0.1178","0.1256","","","","","","1.051","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246130","9.9536","0.0004","10.7657","0.0004","13.1905","0.0005","80.79","0.002","76.962","0.002","63.772","0.002","1232.3","0.09","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H14 N6 O2 -","- C11 H14 N6 O2 -","- C44 H56 N24 O8 -","4","2","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0451","0.0416","","","0.1217","0.1259","","","","","","1.072","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246131","11.8893","0.0001","18.4452","0.0002","12.5023","0.0001","90","","93.4284","0.0004","90","","2736.85","0.04","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H34 N12 O7 -","- C22 H34 N12 O7 -","- C88 H136 N48 O28 -","4","0.5","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0381","0.0374","","","0.0987","0.0998","","","","","","1.07","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246132","22.3831","0.0005","6.8419","0.0002","20.4027","0.0005","90","","115.981","0.0014","90","","2808.77","0.13","100","","100","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C11 H18 N6 O4 -","- C11 H18 N6 O4 -","- C88 H144 N48 O32 -","8","1","","Abidi, Adela; Fortin, Emmanuelle; Larocque, Kariane; Essalhi, Mohamed; Dissem, Nour; Chartrand, Daniel; Maris, Thierry; Duong, Adam","Missing puzzle in crystal engineering: 2-pyridone and [1,3,5]-triazine-2,4-diamine, the two most common cyclic hydrogen bonding sticky sites, in a single core","CrystEngComm","2023","25","6","1018","1028","10.1039/D2CE01505F","","","1.54178","CuKα","","0.0351","0.0337","","","0.0899","0.0916","","","","","","1.035","","","","has coordinates","281445","2023-03-04","18:17:49",""
"7246133","8.6213","0.0005","36.7554","0.0016","9.9466","0.0006","90","","113.343","0.007","90","","2893.9","0.3","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H28 N2 O6 -","- C35 H28 N2 O6 -","- C140 H112 N8 O24 -","4","1","","Kusumoto, Sotaro; Sato, Kei; Muraie, Kouki; Masuda, Shunya; Rakumitsu, Kenta; Kim, Yang; Koide, Yoshihiro","Photosalient ionic cocrystal composed of trimesic acid and 4-styrylpyridine","CrystEngComm","2023","25","6","909","912","10.1039/D2CE01592G","","","0.71073","MoKα","","0.0989","0.0633","","","0.1399","0.1597","","","","","","1.075","","","","has coordinates,has disorder","281447","2023-03-04","18:18:13",""
"7246138","8.3761","0.0005","8.4007","0.0005","16.0336","0.0009","98.767","0.002","99.704","0.002","91.221","0.002","1097.79","0.11","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H20 F5 O4 -","- C24 H21 F5 O4 -","- C48 H42 F10 O8 -","2","1","","Singh, Sanjay; Mondal, Sankalan; Vodnala, Nagaraju; Hazra, Chinmoy Kumar","Hydrogen bonding network-enabled Brønsted acid-catalyzed Friedel–Crafts reactions: a green approach to access unsymmetrical diaryl- and triarylmethanes","Green Chemistry","2023","25","3","1014","1022","10.1039/D2GC04684A","","","0.71073","MoKα","","0.1089","0.0574","","","0.1445","0.1702","","","","","","1.029","","","","has coordinates","281485","2023-03-04","18:26:09",""
"7246139","7.0243","0.0006","20.574","0.0016","11.0931","0.0009","90","","91.591","0.004","90","","1602.5","0.2","273","2","273.15","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","","Singh, Sanjay; Mondal, Sankalan; Vodnala, Nagaraju; Hazra, Chinmoy Kumar","Hydrogen bonding network-enabled Brønsted acid-catalyzed Friedel–Crafts reactions: a green approach to access unsymmetrical diaryl- and triarylmethanes","Green Chemistry","2023","25","3","1014","1022","10.1039/D2GC04684A","","","0.71073","MoKα","","0.0487","0.0428","","","0.1194","0.1244","","","","","","1.0649","","","","has coordinates","281485","2023-03-04","18:26:10",""
"7246140","7.908","0.0006","9.8092","0.0005","17.5752","0.0009","86.93","0.004","78.372","0.005","69.784","0.006","1252.89","0.14","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H24 O8 -","- C33 H24 O8 -","- C66 H48 O16 -","2","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","x-ray","1.54184","CuKα","","0.0672","0.0527","","","0.146","0.1547","","","","","","1.059","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246141","27.4335","0.0007","18.9368","0.0006","12.766","0.0005","90","","90","","90","","6632","0.4","100","0.1","100","0.1","","","","","","","","4","C m c 21","C 2c -2","36","","","","- C33 H26 Cd2 O11 -","- C33 H26 Cd2 O11 -","- C264 H208 Cd16 O88 -","8","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","x-ray","1.54184","CuKα","","0.0889","0.065","","","0.1674","0.1821","","","","","","1.045","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246142","7.794","0.0003","14.7078","0.0006","15.9272","0.0006","67.884","0.004","86.175","0.003","82.86","0.003","1677.93","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H36 Cd2 O16 -","- C33 H36 Cd2 O16 -","- C66 H72 Cd4 O32 -","2","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","","0.71075","MoKα","","0.0588","0.0441","","","0.1019","0.1076","","","","","","1.035","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246143","8.7984","0.0001","16.7929","0.0002","16.479","0.0002","90","","98.082","0.001","90","","2410.6","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H20 Br4 -","- C29 H20 Br4 -","- C116 H80 Br16 -","4","1","","Podda, Enrico; Arca, Massimiliano; Pintus, Anna; Lippolis, Vito; Caltagirone, Claudia; Coles, Simon J.; Orton, James B.; Ennas, Guido; Picci, Giacomo; Davies, Robert P.; Aragoni, M. Carla","On the role of torsional dynamics in the solid-state fluorescent properties of a new bifluorene–tetracarboxylic acid and its supramolecular assemblies: a structural and TD-DFT investigation","CrystEngComm","2023","25","7","1058","1066","10.1039/D2CE01552H","","","0.71075","MoKα","","0.0247","0.0208","","","0.0497","0.0509","","","","","","1.05","","","","has coordinates","281452","2023-03-04","18:19:26",""
"7246144","18.6508","0.0003","5.8796","0.0001","14.7464","0.0003","90","","94.7151","0.0007","90","","1611.61","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl 1-hydroxy-1,3,3a,3a1,5a,5a1,6,8,8a,10a-decahydro-3a,5a:8a,10adiepoxyisochromeno[ 6,5,4-def]isochromene-4,5-dicarboxylate","","- C18 H18 O9 -","- C18 H18 O9 -","- C72 H72 O36 -","4","1","","Averochkin, Gleb M.; Gordeev, Evgeniy G.; Kucherov, Fedor A.; Ananikov, Valentine P.","Rapid access to molecular complexity from bioderived 5-HMF derivatives via cascade cycloadditions","Green Chemistry","2023","25","3","1045","1055","10.1039/D2GC04197A","","","0.71073","MoKα","","0.0391","0.028","","","0.0647","0.0707","","","","","","1.038","","","","has coordinates","281481","2023-03-04","18:25:27",""
"7246145","10.361","0.0002","13.355","0.0003","13.4649","0.0003","62.271","0.002","70.487","0.002","70.729","0.002","1520.04","0.06","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","(5-Benzoyl-4-(methoxycarbonyl)-3a1,6a-dihydro-1H,3H,6H,7H-3a,6:7,9adiepoxybenzo[ de]isochromene-6,7-diyl)bis(methylene) dibenzoate","","- C37 H30 O10 -","- C37 H30 O10 -","- C74 H60 O20 -","2","1","","Averochkin, Gleb M.; Gordeev, Evgeniy G.; Kucherov, Fedor A.; Ananikov, Valentine P.","Rapid access to molecular complexity from bioderived 5-HMF derivatives via cascade cycloadditions","Green Chemistry","2023","25","3","1045","1055","10.1039/D2GC04197A","","x-ray","1.54184","CuKα","","0.0585","0.0564","","","0.1665","0.1688","","","","","","1.047","","","","has coordinates","281481","2023-03-04","18:25:27",""
"7246146","10.5648","0.0003","16.247","0.0005","12.4776","0.0004","90","","110.308","0.001","90","","2008.6","0.11","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","Dimethyl 6-(acetoxymethyl)-7-(hydroxy(methoxy)methyl)-3a1,6a-dihydro- 1H,3H,6H,7H-3a,6:7,9a-diepoxybenzo[de]isochromene-4,5-dicarboxylate","","- C21 H24 O11 -","- C21 H24 O11 -","- C84 H96 O44 -","4","1","","Averochkin, Gleb M.; Gordeev, Evgeniy G.; Kucherov, Fedor A.; Ananikov, Valentine P.","Rapid access to molecular complexity from bioderived 5-HMF derivatives via cascade cycloadditions","Green Chemistry","2023","25","3","1045","1055","10.1039/D2GC04197A","","","0.71073","MoKα","","0.0563","0.0372","","","0.0816","0.0912","","","","","","1.049","","","","has coordinates","281481","2023-03-04","18:25:27",""
"7246147","9.1956","0.0001","33.6799","0.0005","10.508","0.0001","90","","97.813","0.001","90","","3224.19","0.07","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Dimethyl 6,7-bis((benzoyloxy)methyl)-2-benzyl-2,3,3a1,6a-tetrahydro-1H,6H,7H- 3a,6:7,9a-diepoxybenzo[de]isoquinoline-4,5-dicarboxylate","","- C39 H35 N O10 -","- C39 H35 N O10 -","- C156 H140 N4 O40 -","4","1","","Averochkin, Gleb M.; Gordeev, Evgeniy G.; Kucherov, Fedor A.; Ananikov, Valentine P.","Rapid access to molecular complexity from bioderived 5-HMF derivatives via cascade cycloadditions","Green Chemistry","2023","25","3","1045","1055","10.1039/D2GC04197A","","x-ray","1.54184","CuKα","","0.0693","0.064","","","0.1588","0.1613","","","","","","1.089","","","","has coordinates","281481","2023-03-04","18:25:27",""
"7246148","8.8004","0.0004","18.927","0.0006","11.5824","0.0004","90","","105.01","0.004","90","","1863.4","0.13","300","","300","","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C43 H27 N3 O6 -","- C43 H27 N3 O6 -","- C86 H54 N6 O12 -","2","0.5","","Koyama, Shohei; Sato, Kazunobu; Yamashita, Masahiro; Sakamoto, Ryota; Iguchi, Hiroaki","Observation of slow magnetic relaxation phenomena in spatially isolated π-radical ions.","Physical chemistry chemical physics : PCCP","2023","25","7","5459","5467","10.1039/d2cp06026d","","x-ray","0.71073","MoKα","","0.0688","0.0558","","","0.1585","0.1709","","","","","","1.032","","","","has coordinates,has disorder","281604","2023-03-04","18:46:26",""
"7246149","19.8607","0.0012","18.497","0.0007","12.9906","0.0006","90","","102.711","0.005","90","","4655.3","0.4","120","","120","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C56 H57 Co N3 O6 -","- C56 H57 Co N3 O6 -","- C224 H228 Co4 N12 O24 -","4","0.5","","Koyama, Shohei; Sato, Kazunobu; Yamashita, Masahiro; Sakamoto, Ryota; Iguchi, Hiroaki","Observation of slow magnetic relaxation phenomena in spatially isolated π-radical ions.","Physical chemistry chemical physics : PCCP","2023","25","7","5459","5467","10.1039/d2cp06026d","","x-ray","0.71073","MoKα","","0.1058","0.076","","","0.1875","0.2108","","","","","","1.063","","","","has coordinates","281604","2023-03-04","18:46:27",""
"7246150","13.8716","0.0002","13.8716","0.0002","33.7979","0.0008","90","","90","","120","","5632.14","0.18","120","","120","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","","","- C46 H27 Co N3 O6 -","- C46.0002 H27 Co N3 O6 -","- C276.001 H162 Co6 N18 O36 -","6","0.166667","","Koyama, Shohei; Sato, Kazunobu; Yamashita, Masahiro; Sakamoto, Ryota; Iguchi, Hiroaki","Observation of slow magnetic relaxation phenomena in spatially isolated π-radical ions.","Physical chemistry chemical physics : PCCP","2023","25","7","5459","5467","10.1039/d2cp06026d","","x-ray","0.71073","MoKα","","0.0607","0.0557","","","0.1662","0.1712","","","","","","1.069","","","","has coordinates,has disorder","281604","2023-03-04","18:46:27",""
"7246155","10.493","0.005","15.94","0.005","28.368","0.005","95.591","0.005","94.067","0.005","102.427","0.005","4591","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 Ca2 N24 O34 S4 -","- C64 H60 Ca2 N24 O34 S4 -","- C128 H120 Ca4 N48 O68 S8 -","2","1","","Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl","4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics","CrystEngComm","2023","25","6","961","970","10.1039/D2CE01470J","","","0.71069","MoKα","","0.1151","0.0681","","","0.1798","0.2001","","","","","","1.024","","","","has coordinates","281449","2023-03-04","18:18:39",""
"7246156","15.569","0.005","17.153","0.005","19.58","0.005","106.089","0.005","104.52","0.005","103.928","0.005","4585","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H60 Ba2 N24 O31 S4 -","- C64 H60 Ba2 N24 O31 S4 -","- C128 H120 Ba4 N48 O62 S8 -","2","1","","Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl","4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics","CrystEngComm","2023","25","6","961","970","10.1039/D2CE01470J","","","0.71069","MoKα","","0.0521","0.0377","","","0.0974","0.1033","","","","","","1.024","","","","has coordinates","281449","2023-03-04","18:18:39",""
"7246157","20.282","0.005","15.713","0.005","24.849","0.005","90","0.005","101.101","0.005","90","0.005","7771","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H51 N24 O22 S2 Sr -","- C52 H51 N24 O22 S2 Sr -","- C208 H204 N96 O88 S8 Sr4 -","4","1","","Chen, Kai; Zhu, Zhao-Qiang; Zhang, Ming-Hui; Yang, Xiang; Li, Jie; Chen, Chen; Redshaw, Carl","4,4′-Biphenyldisulfonic acid induced coordination polymers of symmetrical tetramethyl cucurbit[6]uril with alkaline-earth metals for detection of antibiotics","CrystEngComm","2023","25","6","961","970","10.1039/D2CE01470J","","","0.71069","MoKα","","0.1645","0.11","","","0.2208","0.2387","","","","","","1.015","","","","has coordinates","281449","2023-03-04","18:18:39",""
"7246166","18.0732","0.0003","8.28431","0.00018","20.8875","0.0004","90","","90","","90","","3127.36","0.1","169.99","0.1","169.99","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C152 H152 N8 O24 -","8","1","","Wei, Wan-Jie; Zhan, Lei; Jiang, Cai-Na; Tang, Hai-Tao; Pan, Ying-Ming; Ma, Xian-Li; Mo, Zu-Yu","Electrochemical oxidative cascade cyclization of olefinic amides and alcohols leading to the synthesis of alkoxylated 4H-3,1-benzoxazines and indolines","Green Chemistry","2023","25","3","928","933","10.1039/D2GC04645H","","x-ray","1.54184","CuKα","","0.0425","0.04","","","0.1012","0.1034","","","","","","1.05","","","","has coordinates","281482","2023-03-04","18:25:33",""
"7246167","10.1902","0.0001","13.3195","0.0001","18.9127","0.0002","70.363","0.001","83.801","0.001","69.417","0.001","2263.21","0.04","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H22 B F3 N P -","- C26 H22 B F3 N P -","- C104 H88 B4 F12 N4 P4 -","4","2","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0424","0.0402","","","0.1093","0.1115","","","","","","1.036","","","","has coordinates","283499","2023-05-05","03:32:21",""
"7246168","9.4958","0.0001","21.5696","0.0002","11.1131","0.0001","90","","107.745","0.001","90","","2167.9","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 B F4 P -","- C25 H22 B F4 P -","- C100 H88 B4 F16 P4 -","4","1","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0384","0.0355","","","0.0886","0.0903","","","","","","1.051","","","","has coordinates","283499","2023-05-05","03:32:24",""
"7246169","9.5349","0.0002","14.5833","0.0003","16.4465","0.0003","90","","98.44","0.002","90","","2262.12","0.08","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 B N2 P -","- C27 H24 B N2 P -","- C108 H96 B4 N8 P4 -","4","1","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0435","0.0382","","","0.0984","0.1021","","","","","","1.043","","","","has coordinates","283499","2023-05-05","03:32:35",""
"7246170","13.3421","0.0001","17.2505","0.0002","20.2011","0.0002","90","","93.974","0.001","90","","4638.26","0.08","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 B F2 N2 P -","- C27 H22 B F2 N2 P -","- C216 H176 B8 F16 N16 P8 -","8","2","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0406","0.0351","","","0.0891","0.0931","","","","","","0.742","","","","has coordinates","283499","2023-05-05","03:32:36",""
"7246171","13.4269","0.0001","17.485","0.0001","20.6372","0.0002","90","","90","","90","","4844.98","0.07","95","2","95","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C28 H23 B N3 P -","- C28 H23 B N3 P -","- C224 H184 B8 N24 P8 -","8","1","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0387","0.0358","","","0.0901","0.0921","","","","","","1.03","","","","has coordinates","283499","2023-05-05","03:32:46",""
"7246172","13.4477","0.0001","17.6586","0.0002","20.6374","0.0002","90","","90","","90","","4900.71","0.08","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H22 B F N3 P -","- C28 H22 B F N3 P -","- C224 H176 B8 F8 N24 P8 -","8","1","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0373","0.0348","","","0.089","0.0908","","","","","","1.048","","","","has coordinates","283499","2023-05-05","03:32:48",""
"7246173","8.9003","0.0001","11.636","0.0002","13.5576","0.0002","111.524","0.001","90.565","0.001","100.936","0.001","1277.58","0.03","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H22 B N4 P -","- C29 H22 B N4 P -","- C58 H44 B2 N8 P2 -","2","1","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0377","0.0362","","","0.0929","0.0941","","","","","","1.088","","","","has coordinates","283499","2023-05-05","03:32:57",""
"7246174","9.9936","0.0001","13.0398","0.0001","18.8613","0.0001","70.179","0.001","83.275","0.001","71.674","0.001","2194.86","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H25 B N P -","- C26 H25 B N P -","- C104 H100 B4 N4 P4 -","4","2","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0426","0.0402","","","0.1076","0.1095","","","","","","1.025","","","","has coordinates","283499","2023-05-05","03:32:57",""
"7246175","9.8978","0.0001","21.7519","0.0002","21.8961","0.0003","92.669","0.001","90.076","0.001","92.765","0.001","4703.52","0.09","100","2","100.01","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C27 H23 B F N2 P -","- C27 H23 B F N2 P -","- C216 H184 B8 F8 N16 P8 -","8","4","","Riefer, Jarno; Zapf, Ludwig; Sprenger, Jan A. P.; Wirthensohn, Raphael; Endres, Sebastian; Pöppler, Ann-Christin; Gutmann, Marcus; Meinel, Lorenz; Ignat'ev, Nikolai V.; Finze, Maik","Cyano(fluoro)borate and cyano(hydrido)borate ionic liquids: low-viscosity ionic media for electrochemical applications.","Physical chemistry chemical physics : PCCP","2023","25","6","5037","5048","10.1039/d2cp05725e","","x-ray","1.54184","CuKα","","0.0723","0.0664","","","0.1716","0.1749","","","","","","1.096","","","","has coordinates","283499","2023-05-05","03:32:57",""
"7246180","12.3693","0.0007","13.7755","0.0008","13.7884","0.0008","66.873","0.002","73.72","0.002","84.454","0.002","2073.8","0.2","279","2","279","","","","","","","","","7","P -1","-P 1","2","","","","- C52 H51 Co2 N16 O54 P W12 -","- C52 H50 Co2 N16 O54 P W12 -","- C52 H50 Co2 N16 O54 P W12 -","1","0.5","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0636","0.057","","","0.1542","0.1596","","","","","","1.07","","","","has coordinates,has disorder","283220","2023-05-05","01:31:40",""
"7246181","13.2416","0.0015","13.5875","0.0017","16.296","0.002","87.365","0.005","74.269","0.004","88.263","0.005","2818.7","0.6","147","2","147","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Ag Mo12 N8 O46 P -","- C26 H26 Ag Mo12 N8 O46 P -","- C52 H52 Ag2 Mo24 N16 O92 P2 -","2","1","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0503","0.0357","","","0.0747","0.0822","","","","","","1.051","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246182","13.2571","0.0005","13.5874","0.0004","16.3513","0.0006","87.088","0.001","74.542","0.001","88.095","0.001","2834.55","0.17","293","2","293","","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Ag N8 O46 P W12 -","- C26 H26 Ag N8 O46 P W12 -","- C52 H52 Ag2 N16 O92 P2 W24 -","2","1","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0558","0.0345","","","0.0622","0.0707","","","","","","1.082","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246183","13.1265","0.0005","13.5756","0.0005","16.1574","0.0007","87.674","0.002","74.37","0.002","87.989","0.002","2769.62","0.19","147","2","147","","","","","","","","","7","P -1","-P 1","2","","triclinic","","- C26 H27 Ag Mo12 N8 O46 Si -","- C26 H26 Ag Mo12 N8 O46 Si -","- C52 H52 Ag2 Mo24 N16 O92 Si2 -","2","1","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","x-ray","0.71076","MoKα","","0.0621","0.0435","","","0.1091","0.1235","","","","","","1.059","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246184","17.2241","0.0011","13.6928","0.0007","17.4462","0.0011","90","","97.709","0.002","90","","4077.4","0.4","295","2","295.15","","","","","","","","","7","P 1 2/n 1","-P 2yac","13","","","","- C52 H47 N16 Ni2 O52 P W12 -","- C52 H46 N16 Ni2 O52 P W12 -","- C104 H92 N32 Ni4 O104 P2 W24 -","2","0.5","","Yu, Xiao-Yang; Lv, Yanxin; Weng, Xiaoyu; Geng, Jiaqi; Yang, Yanyan; Jin, Hua; Cui, Hao; Fu, Bo; Qu, Xiaoshu; Shi, Hongfei; Cao, Xueling","Five new multifunctional inorganic–organic hybrids based on Keggin-type polyoxometalates and a 3,5-di(1H-imidazol-1-yl)benzoic acid ligand","CrystEngComm","2023","25","15","2185","2195","10.1039/D2CE01634F","","","0.71076","MoKα","","0.0979","0.0956","","","0.2655","0.2672","","","","","","1.188","","","","has coordinates","283220","2023-05-05","01:31:41",""
"7246185","7.7837","0.0001","31.1021","0.0004","8.6447","0.0001","90","","90","","90","","2092.79","0.05","100","0.1","100","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H27 N O -","- C27 H27 N O -","- C108 H108 N4 O4 -","4","1","","Luo, Yu; Wang, Xilong; Liu, Qianwen; He, Yimiao; Li, Jing; Luo, Shuang; Zhu, Qiang","Palladium-catalyzed alkyne hydrocarbonylation under atmospheric pressure of carbon monoxide in the presence of hydrosilane","Green Chemistry","2023","25","3","1120","1127","10.1039/D2GC04689J","","x-ray","1.54184","CuKα","","0.0484","0.0471","","","0.1222","0.1231","","","","","","1.061","","","","has coordinates","281483","2023-03-04","18:25:39",""
"7246186","11.2","0.0002","7.8745","0.0001","11.8582","0.0002","90","","103.292","0.001","90","","1017.81","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H29 N O -","- C25 H29 N O -","- C50 H58 N2 O2 -","2","1","","Luo, Yu; Wang, Xilong; Liu, Qianwen; He, Yimiao; Li, Jing; Luo, Shuang; Zhu, Qiang","Palladium-catalyzed alkyne hydrocarbonylation under atmospheric pressure of carbon monoxide in the presence of hydrosilane","Green Chemistry","2023","25","3","1120","1127","10.1039/D2GC04689J","","x-ray","1.54184","CuKα","","0.0317","0.0312","","","0.08","0.0804","","","","","","1.083","","","","has coordinates,has disorder","281483","2023-03-04","18:25:40",""
"7246190","7.9637","0.0002","9.4953","0.0002","17.6571","0.0004","104.23","0.0006","95.441","0.0007","97.9255","0.0007","1270.29","0.05","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H28 N8 O7 -","- C23 H28 N8 O7 -","- C46 H56 N16 O14 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.0526","0.045","","","0.1181","0.1261","","","","","","1.028","","","","has coordinates","281412","2023-03-04","18:09:32",""
"7246191","8.5911","0.0002","8.6242","0.0002","13.5809","0.0003","105.737","0.0006","90.1053","0.0006","93.157","0.0006","966.89","0.04","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 F N6 O5 -","- C18 H21 F N6 O5 -","- C36 H42 F2 N12 O10 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.042","0.0364","","","0.0938","0.0995","","","","","","1.068","","","","has coordinates","281412","2023-03-04","18:09:32",""
"7246192","9.0355","0.0006","10.9956","0.0007","11.9267","0.0007","108.007","0.0018","111.568","0.0018","99.678","0.002","993.38","0.11","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N4 O5 -","- C20 H24 N4 O5 -","- C40 H48 N8 O10 -","2","1","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.081","0.0492","","","0.1254","0.1476","","","","","","1.042","","","","has coordinates","281412","2023-03-04","18:09:32",""
"7246193","11.2418","0.0011","16.0951","0.0015","24.413","0.003","90","","99.814","0.003","90","","4352.6","0.8","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 N6 O6 -","- C19 H26 N6 O6 -","- C152 H208 N48 O48 -","8","2","","Surampudi, Anuja Venkata Sai Durga; Ramakrishna, Sistla; Pallavi, Alegete; Balasubramanian, Sridhar","Novel salts and cocrystals of the antifolate drug trimethoprim and their role in the enhancement of solubility and dissolution","CrystEngComm","2023","25","8","1220","1231","10.1039/D2CE01436J","","","0.71073","MoKα","","0.095","0.0612","","","0.1595","0.1932","","","","","","1.023","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7246194","9.2745","0.0002","9.8947","0.0002","13.565","0.0002","83.663","0.001","81.113","0.002","72.576","0.002","1170.74","0.04","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 O2 S -","- C27 H18 O2 S -","- C54 H36 O4 S2 -","2","1","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.0426","0.0402","","","0.1227","0.1249","","","","","","1.093","","","","has coordinates,has disorder","281451","2023-03-04","18:19:11",""
"7246195","8.9516","0.0004","10.6649","0.0005","12.0474","0.0004","81.82","0.003","77.034","0.003","67.133","0.004","1030.78","0.08","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H10 O S0.5 -","- C14 H10 O S0.5 -","- C56 H40 O4 S2 -","4","2","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.0578","0.0543","","","0.1593","0.1648","","","","","","1.08","","","","has coordinates","281451","2023-03-04","18:19:12",""
"7246196","12.0602","0.0004","8.4487","0.0003","23.7592","0.0008","90","","92.455","0.003","90","","2418.67","0.14","100","","100","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C128 H104 O16 -","4","2","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.0725","0.0687","","","0.1984","0.2006","","","","","","1.078","","","","has coordinates","281451","2023-03-04","18:19:12",""
"7246197","15.2306","0.0002","33.5647","0.0005","9.1666","0.0001","90","","93.316","0.001","90","","4678.22","0.11","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 O4 -","- C31 H24 O4 -","- C248 H192 O32 -","8","2","","Chakraborty, Madhuparna; Chakravarty, Manab","Flanking-donor-controlled diversity in mechanical-force-induced reversible fluorochromism and enhanced emission for carboxylic acid and ester linked solid-state emitters","CrystEngComm","2023","25","7","1126","1135","10.1039/D2CE01378A","","x-ray","1.54184","CuKα","","0.071","0.0581","","","0.1544","0.1617","","","","","","1.037","","","","has coordinates","281451","2023-03-04","18:19:12",""
"7246198","14.866","0.005","16.411","0.005","17.012","0.005","90","0.005","90","0.005","90","0.005","4150","2","293","2","293","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N4 Ni O2 S2 Zn -","- C19 H16 N4 Ni O2 S2 Zn -","- C152 H128 N32 Ni8 O16 S16 Zn8 -","8","1","","Das, Lakshmi Kanta; Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)–M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand","CrystEngComm","2023","25","9","1393","1402","10.1039/D2CE01632J","","","0.71073","MoKα","","0.0431","0.0283","","","0.0624","0.0685","","","","","","1.014","","","","has coordinates","281455","2023-03-04","18:20:22",""
"7246199","9.222","0.005","9.277","0.005","13.294","0.005","75.339","0.005","74.263","0.005","72.671","0.005","1026.5","0.9","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C38 H32 Hg2 N8 Ni2 O4 S4 -","- C38 H32 Hg2 N8 Ni2 O4 S4 -","- C38 H32 Hg2 N8 Ni2 O4 S4 -","1","0.5","","Das, Lakshmi Kanta; Bhunia, Pradip; Gomila, Rosa M.; Frontera, Antonio; Ghosh, Ashutosh","Influence of non-covalent interactions on the coordination geometry of Ni(ii) in Ni(ii)–M(ii) complexes (M = Zn and Hg) with a salen-type N2O2 Schiff base ligand and thiocyanate ion as the coligand","CrystEngComm","2023","25","9","1393","1402","10.1039/D2CE01632J","","","0.71073","MoKα","","0.0525","0.0412","","","0.1092","0.1165","","","","","","1.049","","","","has coordinates","281455","2023-03-04","18:20:32",""
"7246202","19.4327","0.0011","9.488","0.0006","35.303","0.002","90","","90","","90","","6509.1","0.7","294.72","","294.72","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C64 H54 Co2 N8 O15 S2 -","- C64 H54 Co2 N8 O15 S2 -","- C256 H216 Co8 N32 O60 S8 -","4","0.5","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","1.54178","CuKα","K-L~3~","0.1424","0.1054","","","0.2906","0.3188","","","","","","1.074","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246203","9.2921","0.0003","13.1111","0.0004","13.6693","0.0005","76.752","0.001","73.666","0.001","80.394","0.001","1546.2","0.09","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 N4 Ni O10 S -","- C32 H30 N4 Ni O10 S -","- C64 H60 N8 Ni2 O20 S2 -","2","1","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","0.71073","MoKα","K-L~3~","0.0342","0.0286","","","0.0747","0.0777","","","","","","1.042","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246204","9.2776","0.0003","13.4671","0.0005","13.8215","0.0005","75.836","0.001","75.089","0.001","79.265","0.001","1603.94","0.1","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H30 Cd N4 O10 S -","- C32 H30 Cd N4 O10 S -","- C64 H60 Cd2 N8 O20 S2 -","2","1","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","0.71073","MoKα","K-L~3~","0.058","0.043","","","0.0754","0.0833","","","","","","1.146","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246205","13.0347","0.0006","15.9789","0.0008","16.0282","0.0007","70.535","0.001","79.28","0.001","87.925","0.001","3091.4","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C32 H27.75 N4 O8 S Zn -","- C32 H27 N4 O7.75 S Zn -","- C128 H108 N16 O31 S4 Zn4 -","4","2","","Wang, Xiuli; Wang, Yue; Xu, Na; Ma, Jianxin; Liu, Guocheng","Electrochemical and fluorescence sensing performance of four new coordination polymers tuned by different metal ions and dicarboxylic acids","CrystEngComm","2023","25","7","1186","1192","10.1039/D2CE01484J","","x-ray","0.71073","MoKα","K-L~3~","0.0979","0.0462","","","0.0953","0.1131","","","","","","1.005","","","","has coordinates","281453","2023-03-04","18:19:39",""
"7246211","8.2281","0.0001","10.5056","0.0001","21.3512","0.0003","90","","90","","90","","1845.62","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 N2 O7 -","- C20 H16 N2 O7 -","- C80 H64 N8 O28 -","4","1","","Nandi, Sujay Kumar; Roy, Samrat; Pal, Bipul; Haldar, Debasish","Polarization-dependent second harmonic generation in peptide crystals: effects of molecular packing.","Physical chemistry chemical physics : PCCP","2023","25","7","5849","5856","10.1039/d2cp05462k","","x-ray","1.54184","CuKα","","0.0449","0.0385","","","0.0964","0.0991","","","","","","1.083","","","","has coordinates","281603","2023-03-04","18:46:15",""
"7246212","13.9471","0.0001","13.6917","0.0001","16.7692","0.0001","90","","101.73","0.001","90","","3135.36","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14.25 H12.25 Cl0.75 N2 O7 -","- C14.25 H12.25 Cl0.75 N2 O7 -","- C114 H98 Cl6 N16 O56 -","8","4","","Nandi, Sujay Kumar; Roy, Samrat; Pal, Bipul; Haldar, Debasish","Polarization-dependent second harmonic generation in peptide crystals: effects of molecular packing.","Physical chemistry chemical physics : PCCP","2023","25","7","5849","5856","10.1039/d2cp05462k","","x-ray","1.54184","CuKα","","0.0711","0.0679","","","0.1967","0.2019","","","","","","1.075","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7246213","58.307","0.0016","6.7934","0.0001","9.0204","0.0002","90","","92.252","0.002","90","","3570.25","0.14","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H18 N2 O7 -","- C17 H18 N2 O7 -","- C136 H144 N16 O56 -","8","2","","Nandi, Sujay Kumar; Roy, Samrat; Pal, Bipul; Haldar, Debasish","Polarization-dependent second harmonic generation in peptide crystals: effects of molecular packing.","Physical chemistry chemical physics : PCCP","2023","25","7","5849","5856","10.1039/d2cp05462k","","x-ray","1.54184","CuKα","","0.1089","0.0981","","","0.2909","0.3087","","","","","","1.26","","","","has coordinates","281603","2023-03-04","18:46:15",""
"7246219","3.958","0.0002","18.2868","0.0008","20.5693","0.0008","90","","90","","90","","1488.79","0.12","296","2","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N O4 -","- C18 H15 N O4 -","- C72 H60 N4 O16 -","4","1","","Yang, Ying; Zhao, Jianjuan; Zhang, Xinyuan; Hu, Zhanggui; Wu, Yicheng","Synthesis and characterization of a new isoxazolone-based nonlinear optical crystal: MPMOI","CrystEngComm","2023","25","8","1313","1318","10.1039/D2CE01299E","","","1.54178","CuKα","","0.0516","0.0432","","","0.0967","0.1045","","","","","","1.099","","","","has coordinates","281410","2023-03-04","18:08:58",""
"7246220","19.0475","0.0014","7.487","0.0005","7.5538","0.0005","90","","96.033","0.006","90","","1071.27","0.13","292.97","0.1","292.97","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 Cd Cl4 F2 N2 -","- C16 Cd Cl4 F2 N2 -","- C32 Cd2 Cl8 F4 N4 -","2","0.5","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.1095","0.0959","","","0.271","0.2856","","","","","","1.149","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246221","5.3186","0.0004","5.3186","0.0004","40.261","0.008","90","","90","","90","","1138.9","0.3","403.02","0.1","403.02","0.1","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C16 Cd Cl4 F2 N2 -","- C16 Cd Cl4 F2 N2 -","- C32 Cd2 Cl8 F4 N4 -","2","0.0625","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.0525","0.0483","","","0.1316","0.1353","","","","","","1.138","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246222","5.3091","0.0001","5.3091","0.0001","39.5281","0.0018","90","","90","","90","","1114.16","0.06","403","0.1","403.15","","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C16 Cd Cl4 N2 -","- C16 Cd Cl4 N2 -","- C32 Cd2 Cl8 N4 -","2","0.0625","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","","0.71073","MoKα","","0.0331","0.0313","","","0.0836","0.0842","","","","","","1.116","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246223","20.0721","0.0017","7.3523","0.0006","7.4427","0.0005","90","","94.274","0.007","90","","1095.31","0.15","293","0.1","293","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 Cd Cl4 F2 N2 -","- C16 H22 Cd Cl4 F2 N2 -","- C32 H44 Cd2 Cl8 F4 N4 -","2","0.5","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.0514","0.0419","","","0.1071","0.1133","","","","","","0.993","","","","has coordinates","281415","2023-03-04","18:10:24",""
"7246224","5.2977","0.0002","5.2977","0.0002","40.592","0.003","90","","90","","90","","1139.24","0.1","408.01","0.1","408.15","","","","","","","","","5","I 4/m m m","-I 4 2","139","","","","- C16 Cd Cl4 F2 N2 -","- C16 Cd Cl4 F2 N2 -","- C32 Cd2 Cl8 F4 N4 -","2","0.0625","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","","0.71073","MoKα","","0.051","0.0505","","","0.1354","0.1362","","","","","","1.27","","","","has coordinates,has disorder","281415","2023-03-04","18:10:24",""
"7246225","7.3756","0.0005","7.4398","0.0005","38.942","0.002","90","","90","","90","","2136.9","0.2","293.01","0.1","293.01","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H24 Cd Cl4 N2 -","- C16 H24 Cd Cl4 N2 -","- C64 H96 Cd4 Cl16 N8 -","4","0.5","","Yue, Zhi-Yuan; Luo, Wang; Wang, Na; Li, Hua-Kai; Xu, Ze-Jiang; Feng, Yan; Shi, Chao; Ye, Heng-Yun; Miao, Le-Ping","Two-dimensional organic–inorganic hybrid perovskite ferroelastics: (PEA)2[CdCl4], (3-FPEA)2[CdCl4], and (4-FPEA)2[CdCl4]","CrystEngComm","2023","25","8","1270","1275","10.1039/D2CE01390H","","x-ray","0.71073","MoKα","","0.075","0.0543","","","0.1294","0.1406","","","","","","1.108","","","","has coordinates","281415","2023-03-04","18:10:24",""
"7246227","17.7039","0.0011","19.5216","0.0012","5.51938","0.00027","90","","91.1706","0.0027","90","","1907.15","0.19","","","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Fenbendazole - Maleic acid","","- C19 H17 N3 O6 S -","- C19 H17 N3 O6 S -","- C76 H68 N12 O24 S4 -","4","1","","Surov, Artem O.; Vasilev, Nikita A.; Magdysyuk, Oxana V.; Perlovich, German L.; Varlamova, Anastasiya I.; Arkhipov, Ivan A.; Odoevskaya, Irina M.","Structural features, dissolution performance and anthelmintic efficacy of multicomponent solid forms of fenbendazole with maleic and oxalic acids","CrystEngComm","2023","25","8","1301","1312","10.1039/D2CE01644C","","","0.22826","","","","","","","","","","","","","","0.246","","","","has coordinates","281413","2023-03-04","18:09:39",""
"7246228","26.15106","0.0009","5.62505","0.00016","16.88572","0.0004","90","","46.3627","0.0019","90","","1797.66","0.11","","","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","Fenbendazole - Oxalic acid","","- C17 H15 N3 O6 S -","- C17 H15 N3 O6 S -","- C68 H60 N12 O24 S4 -","4","1","","Surov, Artem O.; Vasilev, Nikita A.; Magdysyuk, Oxana V.; Perlovich, German L.; Varlamova, Anastasiya I.; Arkhipov, Ivan A.; Odoevskaya, Irina M.","Structural features, dissolution performance and anthelmintic efficacy of multicomponent solid forms of fenbendazole with maleic and oxalic acids","CrystEngComm","2023","25","8","1301","1312","10.1039/D2CE01644C","","","0.22826","","","","","","","","","","","","","","0.5","","","","has coordinates","281413","2023-03-04","18:09:39",""
"7246229","3.7252","0.0001","11.5014","0.0004","18.9837","0.0006","90","","91.706","0.003","90","","813","0.04","100","2","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 N3 O -","- C9 H5 N3 O -","- C36 H20 N12 O4 -","4","1","","Li, Xin; Zarganes-Tzitzikas, Tryfon; Kurpiewska, Katarzyna; Dömling, Alexander","Amenamevir by Ugi-4CR","Green Chemistry","2023","25","4","1322","1325","10.1039/D2GC04869H","","x-ray","1.54184","CuKα","","0.0404","0.0362","","","0.1008","0.104","","","","","","1.083","","","","has coordinates","281474","2023-03-04","18:24:29",""
"7246230","19.6089","0.0003","13.7807","0.0002","17.823","0.0003","90","","101.936","0.002","90","","4712.08","0.13","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C24 H26 N4 O5 S -","- C24 H26 N4 O5 S -","- C192 H208 N32 O40 S8 -","8","1","","Li, Xin; Zarganes-Tzitzikas, Tryfon; Kurpiewska, Katarzyna; Dömling, Alexander","Amenamevir by Ugi-4CR","Green Chemistry","2023","25","4","1322","1325","10.1039/D2GC04869H","","x-ray","1.54184","CuKα","","0.0629","0.0585","","","0.1579","0.1615","","","","","","1.085","","","","has coordinates","281474","2023-03-04","18:24:30",""
"7246238","14.2119","0.0004","9.8544","0.0003","14.989","0.0004","90","","104.136","0.001","90","","2035.64","0.1","","","","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C20 H12 N2 O5 Zn -","- C20 H12 N2 O5 Zn -","- C80 H48 N8 O20 Zn4 -","4","1","","Bej, Sourav; Das, Riyanka; Kundu, Debojyoti; Pal, Tapan K.; Banerjee, Priyabrata","A de novo strategy for the development of a ZnII–organic framework based luminescent “switch-on” assay for size-exclusive sensitization of the oxidised form of glutathione (GSSG) over the reduced form (GSH): insights into the sensing mechanism through DFT","CrystEngComm","2023","25","11","1626","1636","10.1039/D2CE01600A","","","","","","0.06","","","","","","","","","","","","","","","has coordinates","282328","2023-04-04","10:13:32",""
"7246239","13.635","0.018","21.87","0.02","17.252","0.018","90","","111.89","0.05","90","","4774","9","193","","193","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Fe2 N6 O12 -","- C12 H12 Fe2 N6 O12 -","- C48 H48 Fe8 N24 O48 -","4","0.5","","Tang, Wenlei; Shao, Zhen-Wu; Xiong, Li; Zhang, Zhiyuan; Tan, Kaiyuan; Feng, Xuan; Wu, Wenjing; Liu, Chong","A siderophore-inspired two-dimensional Fe–hydroxamate metal–organic framework","CrystEngComm","2023","25","10","1462","1466","10.1039/D3CE00022B","","x-ray","1.34139","GaKα","","0.1491","0.0922","","","0.282","0.3227","","","","","","0.965","","","","has coordinates,has disorder","282315","2023-04-04","10:08:32",""
"7246240","17.628","0.002","5.4719","0.0007","21.601","0.003","90","","96.194","0.002","90","","2071.4","0.5","100","0.2","100","0.2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H23 Cl2 N O6 -","- C21 H23 Cl2 N O6 -","- C84 H92 Cl8 N4 O24 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Ayala, Alejandro P.","Diastereomeric salts of (S,S)-sertraline with l- and d-tartaric acids: an investigation into chiral supramolecular discrimination","CrystEngComm","2023","25","11","1693","1702","10.1039/D3CE00094J","","","0.71073","MoKα","","0.0449","0.0407","","","0.0885","0.0912","","","","","","1.068","","","","has coordinates,has disorder","282327","2023-04-04","10:13:22",""
"7246241","7.1781","0.0003","7.832","0.0003","41.7968","0.0016","90","","90","","90","","2349.77","0.16","298","0.2","298","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H27 Cl2 N O8 -","- C21 H27 Cl2 N O8 -","- C84 H108 Cl8 N4 O32 -","4","1","","Carvalho, Paulo S.; Diniz, Luan F.; Ayala, Alejandro P.","Diastereomeric salts of (S,S)-sertraline with l- and d-tartaric acids: an investigation into chiral supramolecular discrimination","CrystEngComm","2023","25","11","1693","1702","10.1039/D3CE00094J","","","1.54178","CuKα","","0.0718","0.0597","","","0.1636","0.1764","","","","","","1.039","","","","has coordinates","282327","2023-04-04","10:13:25",""
"7246242","13.356","0.012","13.382","0.012","14.538","0.013","77.483","0.013","75.916","0.013","76.218","0.014","2413","4","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H38 Cd3 N4 O14 -","- C66 H38 Cd3 N4 O14 -","- C66 H38 Cd3 N4 O14 -","1","0.5","","Zhang, Zhi-Hao; Ge, Jia-Lu; Li, Yan; Li, Qing; Ma, Pin-Pin; Tang, Xiao-Yan; Zhang, Wen-Hua; Young, David J.","Two-dimensional Cd3-based metal–organic frameworks with halogen bonding sites for the uptake of I2","CrystEngComm","2023","25","12","1775","1781","10.1039/D2CE01582J","","","0.71073","MoKα","","0.278","0.1078","","","0.1854","0.2082","","","","","","0.947","","","","has coordinates,has disorder","282333","2023-04-04","10:15:23",""
"7246243","12.986","0.006","13","0.007","13.638","0.007","78.032","0.008","78.169","0.007","80.196","0.007","2184.7","1.9","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C78 H46 Cd3 N8 O12 -","- C78 H46 Cd3 N8 O12 -","- C78 H46 Cd3 N8 O12 -","1","0.5","","Zhang, Zhi-Hao; Ge, Jia-Lu; Li, Yan; Li, Qing; Ma, Pin-Pin; Tang, Xiao-Yan; Zhang, Wen-Hua; Young, David J.","Two-dimensional Cd3-based metal–organic frameworks with halogen bonding sites for the uptake of I2","CrystEngComm","2023","25","12","1775","1781","10.1039/D2CE01582J","","","0.71073","MoKα","","0.2405","0.1034","","","0.2081","0.2376","","","","","","1.047","","","","has coordinates,has disorder","282333","2023-04-04","10:15:28",""
"7246244","26.17","0.005","26.17","0.005","43.516","0.014","90","","90","","90","","29803","13","150","2","150","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H300 Mg24 O78 S24 -","- C312 H288 Mg24 O78 S24 -","- C624 H576 Mg48 O156 S48 -","2","0.125","","Zhang, Jiamao; Deng, Yue; Wang, Shentang; Yang, Jun; Hu, Shanshan","A calixarene-based coordination cage as an efficient luminescent sensor for Fe3+, MnO4−, NB and 2,4-DNP in aqueous medium","CrystEngComm","2023","25","10","1495","1500","10.1039/D2CE01508K","","","0.71073","MoKα","","0.0916","0.0752","","","0.2404","0.2535","","","","","","1.138","","","","has coordinates","282318","2023-04-04","10:09:20",""
"7246245","37.5848","0.0003","37.5848","0.0003","37.5848","0.0003","90","","90","","90","","53092.9","0.7","200.01","0.1","200.01","0.1","","","","","","","","7","F m -3 m","-F 4 2 3","225","","","","- C120 H48 B12 Fe6 N36 O68 Zr6 -","- C120 H48 B12 Fe6 N36 O68 Zr6 -","- C480 H192 B48 Fe24 N144 O272 Zr24 -","4","0.0208333","","Shetty, Suchetha; Idrees, Karam B.; Xie, Haomiao; Alameddine, Bassam; Farha, Omar K.","Synthesis of zirconium-based metal–organic frameworks with iron(ii) clathrochelate ligands","CrystEngComm","2023","25","10","1550","1555","10.1039/D2CE01686A","","x-ray","1.54184","CuKα","","0.0879","0.0793","","","0.2163","0.2257","","","","","","1.058","","","","has coordinates,has disorder","282313","2023-04-04","10:08:07",""
"7246246","7.284","0.0013","8.5719","0.0013","13.363","0.002","93.005","0.013","102.411","0.013","92.991","0.013","812","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","phenanthridin-6(5<i>H</i>)-one – perfluorobenzoic acid","","- C20 H10 F5 N O3 -","- C20 H10 F5 N O3 -","- C40 H20 F10 N2 O6 -","2","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0704","0.0633","","","0.1813","0.1907","","","","","","1.057","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246247","5.6381","0.001","8.0585","0.0014","23.653","0.004","90","","95.658","0.014","90","","1069.4","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","pyridin-2(1<i>H</i>)-one – perfluorophenol","","- C11 H6 F5 N O2 -","- C11 H6 F5 N O2 -","- C44 H24 F20 N4 O8 -","4","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0667","0.0526","","","0.1418","0.1522","","","","","","1.085","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246248","7.9484","0.0009","7.1832","0.0005","26.471","0.003","90","","93.279","0.009","90","","1508.9","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","benzo[<i>cd</i>]indol-2(1<i>H</i>)-one – perfluorobenzoic acid","","- C18 H8 F5 N O3 -","- C18 H8 F5 N O3 -","- C72 H32 F20 N4 O12 -","4","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.052","0.0455","","","0.13","0.1396","","","","","","1.089","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246249","13.275","0.002","5.3902","0.0005","16.953","0.002","90","","102.829","0.011","90","","1182.8","0.3","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","pyridin-2(1<i>H</i>)-one – perfluorobenzoic acid","","- C12 H6 F5 N O3 -","- C12 H6 F5 N O3 -","- C48 H24 F20 N4 O12 -","4","1","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.039","0.0355","","","0.0989","0.1025","","","","","","1.047","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246250","8.615","0.0008","15.9915","0.0014","9.1239","0.0008","90","","103.072","0.008","90","","1224.4","0.19","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","phenanthridin-6(5<i>H</i>)-one – perfluorophenol","","- C32 H18.67 F5 N2 O3 -","- C32 H18.666 F5 N2 O3 -","- C64 H37.332 F10 N4 O6 -","2","0.5","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0648","0.0577","","","0.1625","0.1679","","","","","","1.056","","","","has coordinates","281456","2023-03-04","18:20:50",""
"7246251","9.0463","0.0009","11.6765","0.0012","13.7306","0.0014","98.454","0.008","97.155","0.008","100.557","0.008","1393.1","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","benzo[<i>cd</i>]indol-2(1<i>H</i>)-one – perfluorophenol","","- C17 H8 F5 N O2 -","- C17 H8 F5 N O2 -","- C68 H32 F20 N4 O8 -","4","2","","Alfuth, Jan; Kazimierczuk, Katarzyna; Połoński, Tadeusz; Olszewska, Teresa","Self-assembly of secondary aryl amides in cocrystals with perfluoroaryl coformers: structural analysis and synthon preferences","CrystEngComm","2023","25","9","1403","1410","10.1039/D2CE01710E","","x-ray","0.71073","MoKα","","0.0758","0.0659","","","0.177","0.1837","","","","","","1.086","","","","has coordinates,has disorder","281456","2023-03-04","18:20:50",""
"7246252","13.392","0.0012","10.6012","0.0012","14.1313","0.0013","90","","101.079","0.009","90","","1968.8","0.3","170","2","170","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 Br4 F10 -","- C18 Br4 F10 -","- C72 Br16 F40 -","4","0.5","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.047","0.0308","","","0.0675","0.0751","","","","","","1.046","","","","has coordinates","282316","2023-04-04","10:08:54",""
"7246253","5.4453","0.0006","7.8772","0.0006","11.0644","0.0009","71.14","0.007","86.893","0.008","79.296","0.008","441.29","0.07","170","2","170","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 Br2 F12 -","- C18 Br2 F12 -","- C18 Br2 F12 -","1","0.5","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.0377","0.0326","","","0.0818","0.0865","","","","","","1.093","","","","has coordinates","282316","2023-04-04","10:08:54",""
"7246254","7.7805","0.0005","12.9312","0.0008","19.6717","0.0014","90","","94.599","0.007","90","","1972.8","0.2","170","2","170","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 Br4 F10 -","- C18 Br4 F10 -","- C72 Br16 F40 -","4","1","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.0466","0.033","","","0.0756","0.0822","","","","","","1.021","","","","has coordinates","282316","2023-04-04","10:08:54",""
"7246255","21.3852","0.0016","20.391","0.002","7.5673","0.0006","90","","94.255","0.007","90","","3290.7","0.5","170","2","170","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H18 Br4 F10 I N3 -","- C27 H18 Br4 F10 I0.9998 N3 -","- C108 H72 Br16 F40 I3.9992 N12 -","4","0.5","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","0.71073","MoKα","","0.0573","0.0459","","","0.1231","0.1355","","","","","","1.026","","","","has coordinates,has disorder","282316","2023-04-04","10:08:54",""
"7246256","7.8665","0.0002","20.2579","0.0003","22.278","0.0004","90","","90","","90","","3550.19","0.12","170","2","169.99","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 Br2 F12 -","- C18 Br2 F12 -","- C144 Br16 F96 -","8","1","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","1.54184","CuKα","","0.0523","0.0471","","","0.1051","0.1074","","","","","","1.188","","","","has coordinates,has disorder","282316","2023-04-04","10:08:54",""
"7246257","20.3907","0.0004","7.6801","0.0001","42.938","0.001","90","","90","","90","","6724.2","0.2","170","2","169.99","0.1","","","","","","","","6","P b c m","-P 2c 2b","57","","","","- C27 H18 Br4 F10 I N3 -","- C27 H18 Br4 F10 I N3 -","- C216 H144 Br32 F80 I8 N24 -","8","1","","Stoesser, Julian; Engelage, Elric; Belmonte, Debora; Huber, Stefan M.","Just at the limit: binding studies with neutral brominated terphenyl-derived halogen bond donors","CrystEngComm","2023","25","10","1501","1506","10.1039/D2CE01629J","","x-ray","1.54184","CuKα","","0.0501","0.0442","","","0.1022","0.1051","","","","","","1.145","","","","has coordinates,has disorder","282316","2023-04-04","10:08:54",""
"7246258","16.7507","0.0002","20.1161","0.0003","23.6396","0.0003","90","","94.595","0.001","90","","7939.97","0.18","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C45 H34 N5 O7 Zn1.5 -","- C45 H34 N5 O7 Zn1.5 -","- C360 H272 N40 O56 Zn12 -","8","1","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","0.71073","MoKα","","0.0647","0.0445","","","0.1063","0.1165","","","","","","1.063","","","","has coordinates","281411","2023-03-04","18:09:22",""
"7246259","26.6374","0.0006","9.7433","0.0002","29.7932","0.0007","90","","90.922","0.002","90","","7731.4","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C90 H48 Cd3 N10 O12 -","- C90 H64 Cd3 N10 O12 -","- C360 H256 Cd12 N40 O48 -","4","0.5","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","0.71073","MoKα","","0.0545","0.0363","","","0.0771","0.0887","","","","","","1.054","","","","has coordinates","281411","2023-03-04","18:09:22",""
"7246260","27.0745","0.0005","9.7503","0.0002","29.6517","0.0005","90","","91.899","0.002","90","","7823.3","0.3","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C94 H68 Cd3 N6 O12 -","- C94 H68 Cd3 N6 O12 -","- C376 H272 Cd12 N24 O48 -","4","0.5","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","0.71073","MoKα","","0.0514","0.0354","","","0.0658","0.0739","","","","","","1.049","","","","has coordinates,has disorder","281411","2023-03-04","18:09:22",""
"7246261","38.9381","0.0007","9.4374","0.0001","29.5532","0.0005","90","","132.196","0.003","90","","8045.7","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C88 H82 Cd3 N8 O15 -","- C88 H80 Cd3 N8 O14 -","- C352 H320 Cd12 N32 O56 -","4","0.5","","Huang, Gui-Mei; Li, Shuang; Ma, Meng-Xia; Li, Shi-Ming; Li, Wen-Qiang; Ni, Qing-Ling; Gui, Liu-Cheng; Wang, Xiu-Jian","Construction of ZnII/CdII-based MOFs containing a tripodal aromatic carboxylate ligand with unequal arms and their fluorescence detection for Cu2+ and Fe3+ cations","CrystEngComm","2023","25","8","1232","1239","10.1039/D3CE00007A","","x-ray","1.54184","CuKα","","0.0279","0.0262","","","0.0705","0.0718","","","","","","1.059","","","","has coordinates,has disorder","281411","2023-03-04","18:09:22",""
"7246262","10.7028","0.0007","11.989","0.0008","13.1876","0.0009","89.083","0.002","72.765","0.002","75.181","0.002","1559.16","0.18","173.11","","173.11","","","","","","","","","5","P -1","-P 1","2","","MSU10","","- C27 H32 La N6 O10 -","- C27 H32 La N6 O10 -","- C54 H64 La2 N12 O20 -","2","1","","Hungwe, Johannes; Tshuma, Piwai; Gumbo, Maureen; Noa, Francoise M. Amombo; Öhrström, Lars; Mehlana, Gift","Tuning the topology of a 2D metal–organic framework from 2D to 3D using modulator assisted synthesis","CrystEngComm","2023","25","10","1486","1494","10.1039/D3CE00039G","","","0.71073","MoKα","","0.0387","0.031","","","0.0669","0.0695","","","","","","1.053","","","","has coordinates","282317","2023-04-04","10:09:03",""
"7246263","10.059","0.0002","11.1837","0.0004","13.6668","0.0003","68.67","0.002","86.13","0.002","74.59","0.002","1379.94","0.07","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C24 H27 La N5 O10 -","- C24 H27 La N5 O10 -","- C48 H54 La2 N10 O20 -","2","1","","Hungwe, Johannes; Tshuma, Piwai; Gumbo, Maureen; Noa, Francoise M. Amombo; Öhrström, Lars; Mehlana, Gift","Tuning the topology of a 2D metal–organic framework from 2D to 3D using modulator assisted synthesis","CrystEngComm","2023","25","10","1486","1494","10.1039/D3CE00039G","","x-ray","1.54184","CuKα","","0.0289","0.0264","","","0.0651","0.066","","","","","","1.078","","","","has coordinates","282317","2023-04-04","10:09:03",""
"7246264","25.081","0.003","14.4962","0.0014","14.7769","0.0014","90","","101.766","0.002","90","","5259.7","1","296","2","296","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C30 H61 Cl3 N20 O24 -","- C30 H30 Cl3 N20 O17 -","- C120 H120 Cl12 N80 O68 -","4","0.5","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.0799","0.0648","","","0.1898","0.2096","","","","","","1.023","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246265","12.7096","0.0003","15.9515","0.0004","27.0718","0.0007","90","","96.41","0.001","90","","5454.1","0.2","190","2","190","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H64 N20 O29 S2 -","- C40 H38 N20 O28 S2 -","- C160 H152 N80 O112 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","1.34139","GaKα","","0.0739","0.0522","","","0.1116","0.1183","","","","","","1.068","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246266","12.469","0.005","15.956","0.005","27.061","0.005","90","","95.919","0.005","90","","5355","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H58 N20 Na2 O25 S2 -","- C40 H36 N20 Na2 O18 S2 -","- C160 H144 N80 Na8 O72 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71069","MoKα","","0.1118","0.0593","","","0.1111","0.1292","","","","","","1.097","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246267","12.449","0.005","16.143","0.005","26.916","0.005","90","0.005","95.226","0.005","90","0.005","5387","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 N20 O24 Rb2 S2 -","- C40 H36 N20 O20 Rb2 S2 -","- C160 H144 N80 O80 Rb8 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.1007","0.0802","","","0.1904","0.2034","","","","","","1.025","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246268","12.681","0.005","16.214","0.005","27.109","0.005","90","0.005","96.033","0.005","90","0.005","5543","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C40 H52 Cs K N20 O24 S2 -","- C40 H36 Cs K N20 O20 S2 -","- C160 H144 Cs4 K4 N80 O80 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.1231","0.0978","","","0.2363","0.2549","","","","","","1.069","","","","has coordinates,has disorder","282319","2023-04-04","10:09:45",""
"7246269","12.274","0.005","16.173","0.005","27.018","0.005","90","","94.661","0.005","90","","5346","3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C40 H50 K2 N20 O23 S2 -","- C40 H36 K2 N20 O19 S2 -","- C160 H144 K8 N80 O76 S8 -","4","1","","Xu, Jing; Wang, Qi; Ge, Wei-Wei; Wu, Dong; Redshaw, Carl; Chen, Kai","Sulfonate ligand-induced formation of alkali metal–cucurbit[5]uril-based assemblies","CrystEngComm","2023","25","10","1529","1540","10.1039/D2CE01568D","","","0.71073","MoKα","","0.0842","0.0633","","","0.1855","0.2082","","","","","","1","","","","has coordinates","282319","2023-04-04","10:09:45",""
"7246270","17.287","0.0006","15.6308","0.0005","17.7593","0.0006","90","","90","","90","","4798.7","0.3","300.8","0.1","300.8","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H38 B F4 N O7 -","- C19 H38 B F4 N O7 -","- C152 H304 B8 F32 N8 O56 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0985","0.0557","","","0.1537","0.1751","","","","","","1.069","","","","has coordinates,has disorder","281454","2023-03-04","18:20:05",""
"7246271","17.1067","0.0007","15.3661","0.0007","17.6923","0.0008","90","","90","","90","","4650.7","0.4","173","0.1","173","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H38 B F4 N O7 -","- C19 H38 B F4 N O7 -","- C152 H304 B8 F32 N8 O56 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0683","0.0477","","","0.099","0.1089","","","","","","1.028","","","","has coordinates","281454","2023-03-04","18:20:05",""
"7246272","15.673","0.0017","10.8757","0.0009","14.278","0.0015","90","","90","","90","","2433.8","0.4","365.01","0.11","365.01","0.11","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H38 Cl N O11 -","- C19 H38 Cl N O11.002 -","- C76 H152 Cl4 N4 O44.008 -","4","0.5","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.3081","0.2497","","","0.623","0.659","","","","","","2.479","","","","has coordinates,has disorder","281454","2023-03-04","18:20:05",""
"7246273","17.3155","0.0008","15.6324","0.0009","17.8689","0.0009","90","","90","","90","","4836.8","0.4","300","0.1","300","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H38 Cl N O11 -","- C19 H38 Cl N O11 -","- C152 H304 Cl8 N8 O88 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0945","0.0579","","","0.149","0.1759","","","","","","1.025","","","","has coordinates","281454","2023-03-04","18:20:05",""
"7246274","17.1801","0.0004","15.4816","0.0005","17.8001","0.0005","90","","90","","90","","4734.4","0.2","200.04","0.1","200.04","0.1","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H38 Cl N O11 -","- C19 H38 Cl N O11 -","- C152 H304 Cl8 N8 O88 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","x-ray","0.71073","MoKα","","0.0487","0.0383","","","0.0933","0.0986","","","","","","1.049","","","","has coordinates","281454","2023-03-04","18:20:05",""
"7246275","17.346","0.0016","15.8138","0.0015","17.761","0.002","90","","90","","90","","4872","0.8","350","","350.15","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C19 H38 B F4 N O7 -","- C19 H38 B F4 N O7 -","- C152 H304 B8 F32 N8 O56 -","8","1","","Wei, Wen-Juan; Gao, Hong-Qiang; Fang, Ming; Tang, Yun-Zhi; Wei, Yen","Revealing the order–disorder type phase transition mechanism in two new supramolecular clathrates","CrystEngComm","2023","25","9","1333","1338","10.1039/D2CE01419J","","","0.71073","MoKα","","0.3809","0.1034","","","0.2335","0.3176","","","","","","0.842","","","","has coordinates,has disorder","281454","2023-03-04","18:20:05",""
"7246276","5.2615","0.0002","25.2098","0.0009","16.6111","0.0006","90","","91.994","0.003","90","","2201.98","0.14","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41.5 H54 N6 O11.5 S2 -","- C41.5 H54 N6 O11.5 S2 -","- C83 H108 N12 O23 S4 -","2","1","","Wang, Chang; Turner, Thomas D.; Ma, Cai Y.; Pask, Christopher M.; Rosbottom, Ian; Hong, Richard S.; Sheikh, Ahmad Y.; Yin, Qiuxiang; Roberts, Kevin J.","A quaternary solid-form of ritonavir: an oxalate salt oxalic acid co-crystal acetone solvate","CrystEngComm","2023","25","12","1782","1791","10.1039/D2CE01612E","","x-ray","1.54184","CuKα","","0.0612","0.0513","","","0.1248","0.1313","","","","","","1.024","","","","has coordinates,has disorder","282335","2023-04-04","10:16:21",""
"7246277","17.323","0.002","12.978","0.0015","18.983","0.002","90","","105.428","0.006","90","","4113.9","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C47 H46 N4 O9 -","- C47 H46 N4 O9 -","- C188 H184 N16 O36 -","4","1","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0496","0.0395","","","0.0977","0.1034","","","","","","1.035","","","","has coordinates","281414","2023-03-04","18:10:10",""
"7246278","15.5518","0.0011","18.9095","0.0014","16.7038","0.0012","90","","108.49","0.002","90","","4658.6","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H48 Cl4 N4 O8 -","- C54 H48 Cl4 N4 O8 -","- C216 H192 Cl16 N16 O32 -","4","1","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0355","0.0344","","","0.0936","0.0945","","","","","","1.031","","","","has coordinates","281414","2023-03-04","18:10:10",""
"7246279","14.9566","0.0014","14.9948","0.0014","16.2793","0.0015","64.136","0.003","79.706","0.003","76.944","0.003","3186.9","0.5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C77 H84 N4 O13 -","- C77 H84 N4 O13 -","- C154 H168 N8 O26 -","2","1","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0504","0.0472","","","0.1182","0.1209","","","","","","1.022","","","","has coordinates,has disorder","281414","2023-03-04","18:10:10",""
"7246280","25.162","0.004","13.623","0.002","14.286","0.002","90","","90","","90","","4897","1.3","100","2","100","2","","","","","","","","5","C m c m","-C 2c 2","63","","","","- C51.3 H50.4 Cl2 N4 O12.2 -","- C51.3 H50.4 Cl2 N4 O12.2 -","- C205.2 H201.6 Cl8 N16 O48.8 -","4","0.25","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.1376","0.1359","","","0.4382","0.4501","","","","","","2.492","","","","has coordinates,has disorder","281414","2023-03-04","18:10:10",""
"7246281","28.327","0.003","14.6276","0.0017","30.858","0.004","90","","93.076","0.007","90","","12768","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C74 H88 N4 O14 -","- C74 H88 N4 O14 -","- C592 H704 N32 O112 -","8","2","","Tominaga, Masahide; Nanbara, Sakito; Hyodo, Tadashi; Kawahata, Masatoshi; Yamaguchi, Kentaro","Orientation of carbonyl groups in inclusion crystals formed from ketones with aromatic diimide-based macrocycles","CrystEngComm","2023","25","8","1295","1300","10.1039/D2CE01641A","","","1.54178","CuKα","","0.0813","0.0728","","","0.165","0.1688","","","","","","1.201","","","","has coordinates,has disorder","281414","2023-03-04","18:10:10",""
"7246282","4.9739","0.0003","8.6018","0.0005","6.952","0.0005","90","","110.177","0.003","90","","279.18","0.03","289","2","289","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- O6 Se2 Zr -","- O6 Se2 Zr -","- O12 Se4 Zr2 -","2","0.5","","Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang","Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8","CrystEngComm","2023","25","11","1675","1682","10.1039/D2CE01627C","","","0.71073","MoKa","","0.0395","0.0354","","","0.0869","0.0883","","","","","","1.059","","","","has coordinates","282331","2023-04-04","10:14:46",""
"7246283","11.285","0.003","11.285","","11.285","","90","","90","","90","","1437.2","0.4","273","2","273","2","","","","","","","","3","I a -3","-I 2b 2c 3","206","","","","- Hf O8 Te3 -","- Hf O8 Te3 -","- Hf8 O64 Te24 -","8","0.166667","","Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang","Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8","CrystEngComm","2023","25","11","1675","1682","10.1039/D2CE01627C","","","0.71073","MoKa","","0.0198","0.0182","","","0.0475","0.0481","","","","","","1.206","","","","has coordinates","282331","2023-04-04","10:14:47",""
"7246284","4.9425","0.0002","8.5794","0.0003","6.9325","0.0002","90","","110.1","0.001","90","","276.059","0.017","273","2","273","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Hf O6 Se2 -","- Hf O6 Se2 -","- Hf2 O12 Se4 -","2","0.5","","Lv, Junai; Li, Qi; Guan, Xin; Lin, Na; Zhang, Jian; Jia, Zhitai; Tao, Xutang","Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe2O6, HfSe2O6 and HfTe3O8","CrystEngComm","2023","25","11","1675","1682","10.1039/D2CE01627C","","","0.71073","MoKa","","0.0273","0.0263","","","0.069","0.07","","","","","","1.115","","","","has coordinates","282331","2023-04-04","10:14:47",""
"7246285","9.7448","0.0003","11.2596","0.0003","14.0846","0.0004","68.021","0.003","84.398","0.002","66.219","0.003","1308.81","0.08","100","0.3","100","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C22 H31 Cd N4 O8 -","- C22 H31 Cd N4 O8 -","- C44 H62 Cd2 N8 O16 -","2","1","","Huang, Mengyi; Liang, Zhenxin; Huang, Jinling; Zhang, Shuyu; Wen, Yuehong; Wu, Xintao","Dimensional expansion of 1D zigzag chains to a 2D two-fold interpenetrated metal–organic framework for adsorption of lanthanide cations and white light emission","CrystEngComm","2023","25","11","1637","1642","10.1039/D3CE00001J","","x-ray","1.3405","GaKα","","0.0474","0.0432","","","0.1149","0.1178","","","","","","1.053","","","","has coordinates","282329","2023-04-04","10:13:40",""
"7246286","18.8874","0.0014","6.1813","0.0005","17.2323","0.0011","90","","91.402","0.006","90","","2011.2","0.3","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 F5 O2 P -","- C24 H16 F5 O2 P -","- C96 H64 F20 O8 P4 -","4","1","","Chu, Xue-Qiang; Cai, Song-Zhou; Chen, Jia-Wei; Yu, Zi-Lun; Ma, Mengtao; Walsh, Patrick J.; Shen, Zhi-Liang","Defluorophosphorylation of fluoroalkyl peroxides for the synthesis of highly substituted furans","Green Chemistry","2023","25","5","2000","2010","10.1039/D2GC04512E","","x-ray","0.71073","MoKα","","0.0522","0.0413","","","0.0952","0.1029","","","","","","1.053","","","","has coordinates","283364","2023-05-05","02:48:34",""
"7246287","11.345","0.0006","12.0953","0.0006","14.1162","0.0007","89.245","0.004","77.498","0.004","62.787","0.005","1673.55","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C36 H25 F5 O3 P2 -","- C36 H25 F5 O3 P2 -","- C72 H50 F10 O6 P4 -","2","1","","Chu, Xue-Qiang; Cai, Song-Zhou; Chen, Jia-Wei; Yu, Zi-Lun; Ma, Mengtao; Walsh, Patrick J.; Shen, Zhi-Liang","Defluorophosphorylation of fluoroalkyl peroxides for the synthesis of highly substituted furans","Green Chemistry","2023","25","5","2000","2010","10.1039/D2GC04512E","","x-ray","0.71073","MoKα","","0.0701","0.0556","","","0.1543","0.1719","","","","","","1.068","","","","has coordinates","283364","2023-05-05","02:48:34",""
"7246304","6.7843","0.0003","8.3585","0.0003","15.1607","0.0007","97.295","0.003","93.314","0.004","111.978","0.004","785.58","0.06","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Br N O -","- C17 H22 Br N O -","- C34 H44 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.046","0.0367","","","0.0832","0.089","","","","","","1.076","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246305","8.7375","0.0003","9.2799","0.0004","10.6024","0.0007","106.226","0.005","98.182","0.004","100.729","0.004","793.61","0.07","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H17 I2 N O -","- C15 H17 I2 N O -","- C30 H34 I4 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","x-ray","0.71071","MoKα","","0.0355","0.0242","","","0.0429","0.0489","","","","","","1.087","","","","has coordinates,has disorder","282332","2023-04-04","10:15:00",""
"7246306","7.8428","0.0003","8.7456","0.0004","11.7685","0.0006","81.274","0.004","82.709","0.004","72.451","0.004","757.9","0.06","110.05","0.1","110.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Cl I N O -","- C15 H17 Cl I N O -","- C30 H34 Cl2 I2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71071","MoKα","","0.028","0.0235","","","0.0434","0.0456","","","","","","1.041","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246307","4.63873","0.00014","56.6665","0.0012","8.4248","0.0002","90","","95.637","0.002","90","","2203.84","0.1","110.05","0.1","110.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H30 Br3 N O -","- C21 H30 Br3 N O -","- C84 H120 Br12 N4 O4 -","4","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0742","0.0586","","","0.096","0.1021","","","","","","1.191","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246308","6.7554","0.0003","8.4116","0.0003","16.8284","0.0007","97.564","0.003","96.503","0.004","110.294","0.004","876.01","0.07","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C19 H26 Br N O -","- C19 H26 Br N O -","- C38 H52 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0453","0.0353","","","0.0728","0.0773","","","","","","1.051","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246309","10.0323","0.0004","11.3017","0.0004","15.5236","0.0005","106.418","0.003","94.206","0.003","113.861","0.004","1508.28","0.12","110.05","0.1","110.05","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C15 H17 Br I N O -","- C15 H17 Br I N O -","- C60 H68 Br4 I4 N4 O4 -","4","2","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","x-ray","0.71073","MoKα","","0.0395","0.0285","","","0.048","0.0517","","","","","","1.045","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246310","6.6716","0.0003","8.3651","0.0004","13.0803","0.0006","86.724","0.004","86.237","0.004","70.833","0.004","687.55","0.06","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C15 H18 Br N O -","- C15 H18 Br N O -","- C30 H36 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0458","0.0373","","","0.0735","0.0779","","","","","","1.063","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246311","28.1904","0.0012","9.1296","0.0002","17.0705","0.0006","90","","98.313","0.004","90","","4347.2","0.3","110.05","0.1","110.05","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H67 Br3 N2 O2 -","- C46 H67 Br3 N2 O2 -","- C184 H268 Br12 N8 O8 -","4","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0715","0.0393","","","0.0798","0.0919","","","","","","1.053","","","","has coordinates,has disorder","282332","2023-04-04","10:15:00",""
"7246312","6.7504","0.0003","8.3652","0.0004","20.1363","0.001","81.71","0.004","86.632","0.004","70.675","0.004","1061.71","0.09","110.05","0.1","110.05","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C23 H34 Br N O -","- C23 H34 Br N O -","- C46 H68 Br2 N2 O2 -","2","1","","McAllister, Linda J.; Taylor, James; Pridmore, Natalie E.; McEllin, Alice J.; Whitwood, Adrian C.; Karadakov, Peter B.; Bruce, Duncan W.","Halogen-bonded liquid-crystalline complexes formed from 4-alkoxyphenylpyridines with iodine and with interhalogens","CrystEngComm","2023","25","11","1683","1692","10.1039/D2CE01555B","","","0.71073","MoKα","","0.0439","0.0351","","","0.0744","0.0787","","","","","","1.06","","","","has coordinates","282332","2023-04-04","10:15:00",""
"7246315","4.7442","0.0002","31.8938","0.001","15.627","0.0006","90","","95.026","0.003","90","","2355.44","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H28 N6 O14 S6 Zn3 -","- C48 H28 N6 O14 S6 Zn3 -","- C96 H56 N12 O28 S12 Zn6 -","2","0.5","","Chen, Xueyi; Tan, Geng; Chen, Wanyu; Chang, Jiaming; Yue, Yuanmeng; Li, Yameng; Weng, Ng Seik; Zhang, Lilei; Feng, Xun","A zinc-based metal–organic framework with a triazine moiety: effective detection of antibiotics and photodegradation dyes in aqueous solution","CrystEngComm","2023","25","13","1965","1975","10.1039/D2CE01684B","","","0.71073","MoKα","","0.0765","0.0647","","","0.1564","0.1643","","","","","","1.031","","","","has coordinates,has disorder","282325","2023-04-04","10:12:50",""
"7246321","10.3322","0.0002","10.7423","0.0002","14.3583","0.0002","97.245","0.002","100.734","0.002","116.704","0.002","1358.21","0.05","298.06","0.1","298.06","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C10.33 H7.33 N1.33 O1.33 S0.67 -","- C10.3333 H7.33333 N1.33333 O1.33333 S0.666667 -","- C62 H44 N8 O8 S4 -","6","3","","Zhang, Zhicheng; Wen, Linzi; Xu, Shihai; Tang, Yu; Cao, Xiaohui; Feng, Pengju","Consecutive cross-dehydrogenative C–O and C–N construction for the synthesis of polyarene with AIE properties under electrochemical condition involving oxygen radical species","Green Chemistry","2023","25","6","2287","2292","10.1039/D3GC00124E","","x-ray","1.54184","CuKα","","0.0763","0.0683","","","0.1977","0.2069","","","","","","1.049","","","","has coordinates","283366","2023-05-05","02:48:50",""
"7246323","13.296","0.002","18.408","0.004","3.7815","0.0011","90","","90","","90","","925.5","0.4","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C48 H32 N8 O8 -","4","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.141","0.0724","","","0.1198","0.1597","","","","","","1.057","","","","has coordinates","282322","2023-04-04","10:11:06",""
"7246324","6.983","0.004","8.788","0.005","10.103","0.006","98.26","0.02","94.33","0.02","93.17","0.02","610.4","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 O6 -","- C12 H11 N3 O6 -","- C24 H22 N6 O12 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.124","0.0564","","","0.1194","0.1428","","","","","","1.035","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246325","7.4117","0.0008","14.0189","0.0013","10.6336","0.001","90","","98.59","0.009","90","","1092.48","0.19","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H19 N5 O8 -","- C24 H19 N5 O8 -","- C48 H38 N10 O16 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.053","0.0429","","","0.1045","0.1142","","","","","","1.086","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246326","7.307","0.0006","9.3649","0.0007","14.6557","0.001","81.676","0.003","80.506","0.003","69.46","0.003","922.15","0.12","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H8 N2 O2 -","- C12 H8 N2 O2 -","- C48 H32 N8 O8 -","4","2","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.0611","0.0447","","","0.129","0.1418","","","","","","1.063","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7246327","7.5784","0.0005","11.6201","0.0008","13.5062","0.0009","77.55","0.002","84.286","0.002","76.406","0.002","1127.38","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C3.43 H2.29 Cu0.07 N0.71 O -","- C3.42857 H2.28571 Cu0.0714286 N0.714286 O -","- C48 H32 Cu N10 O14 -","14","7","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.0692","0.0613","","","0.1731","0.183","","","","","","1.05","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246328","13.2629","0.0007","14.3481","0.0008","16.6357","0.001","96.631","0.005","104.242","0.005","116.913","0.005","2640.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C60 H40 Cd N12 O16 -","- C60 H40 Cd N12 O16 -","- C120 H80 Cd2 N24 O32 -","2","1","","Sendh, Jagajiban; Baruah, Jubaraj B.","Polymorphs, ionic cocrystal and inclusion complex of N-amino-1,8-naphthalimide","CrystEngComm","2023","25","13","1928","1940","10.1039/D2CE01673G","","","0.71073","MoKα","","0.1098","0.0661","","","0.1457","0.1784","","","","","","1.023","","","","has coordinates","282322","2023-04-04","10:11:07",""
"7246329","21.5133","0.0014","4.9621","0.0004","24.1452","0.0016","90","","95.496","0.006","90","","2565.7","0.3","293.15","","293.15","","","","","","","","","3","P 1 21 1","P 2yb","4","ARB","arbutin","","- C12 H16 O7 -","- C12 H16 O7 -","- C96 H128 O56 -","8","4","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.1431","0.059","","","0.113","0.1558","","","","","","0.984","","","","has coordinates","283210","2023-05-05","01:24:53",""
"7246330","6.3532","0.0004","21.0244","0.0012","22.6649","0.0018","90","","90","","90","","3027.4","0.4","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Arbutin DMA solvent compound; solvate S4","Arbutin DMA solvate","","- C14 H20.5 N0.5 O7.5 -","- C14 H20.5 N0.5 O7.5 -","- C112 H164 N4 O60 -","8","2","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.1042","0.0646","","","0.1134","0.1346","","","","","","1.032","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7246331","8.5631","0.0003","8.5283","0.0003","15.1997","0.0005","90","","104.747","0.003","90","","1073.45","0.07","113.15","","113.15","","","","","","","","","4","P 1 21 1","P 2yb","4","Arbutin DMF solvent compound; solvate S1","Arbutin DMF solvate","","- C18 H30 N2 O9 -","- C18 H30 N2 O9 -","- C36 H60 N4 O18 -","2","1","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.0431","0.0384","","","0.0913","0.0959","","","","","","1.038","","","","has coordinates","283210","2023-05-05","01:25:09",""
"7246332","6.3606","0.0003","20.5593","0.0009","23.4018","0.0009","90","","90","","90","","3060.2","0.2","113.15","","113.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Arbutin NMP solvent compound;solvate S5","Arbutin NMP solvate","","- C29 H41 N O15 -","- C29 H41 N O15 -","- C116 H164 N4 O60 -","4","1","","Taiwaikuli, Mukaidaisi; Wang, Ting; Chen, Kui; Feng, Yaoguang; Xing, Jiangna; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study of the formation of arbutin polymorphs and solvates","CrystEngComm","2023","25","14","2075","2084","10.1039/D2CE01670B","","x-ray","0.71073","MoKα","","0.0991","0.0615","","","0.1049","0.1239","","","","","","1.04","","","","has coordinates,has disorder","283210","2023-05-05","01:25:21",""
"7246333","15.7345","0.0004","16.732","0.0004","17.2068","0.0006","83.659","0.002","66.309","0.003","89.939","0.002","4118.2","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C126 H210 N2 O36 Ti10 -","- C126 H210 N2 O36 Ti10 -","- C126 H210 N2 O36 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","","0.71073","MoKα","","0.0875","0.0474","","","0.1199","0.146","","","","","","1.023","","","","has coordinates,has disorder","282330","2023-04-04","10:14:09",""
"7246334","15.2841","0.0007","15.8379","0.0005","16.1254","0.0006","119.36","0.004","99.503","0.004","106.205","0.004","3046.9","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H126 N2 O36 Ti10 -","- C84 H126 N2 O36 Ti10 -","- C84 H126 N2 O36 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","x-ray","0.71073","MoKα","","0.0879","0.0566","","","0.166","0.1826","","","","","","1.055","","","","has coordinates,has disorder","282330","2023-04-04","10:14:14",""
"7246335","15.0565","0.0008","15.5845","0.0007","16.1779","0.0007","64.8","0.004","66.955","0.005","75.967","0.004","3147.6","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H126 N2 O42 Ti10 -","- C84 H126 N2 O42 Ti10 -","- C84 H126 N2 O42 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","","0.71073","MoKα","","0.0692","0.0422","","","0.1072","0.1242","","","","","","1.021","","","","has coordinates,has disorder","282330","2023-04-04","10:14:25",""
"7246336","13.1367","0.001","16.9074","0.0011","17.9372","0.0012","107.392","0.006","107.891","0.006","95.423","0.006","3541","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C84 H112 N14 O60 Ti10 -","- C84 H112 N14 O60 Ti10 -","- C84 H112 N14 O60 Ti10 -","1","0.5","","Pei, Xin-Yue; He, Ying; Wang, Jia-Yin; Wang, Hong-Yan; Bo, Qi-Bing","Substituted benzoate-anchored decanuclear titanium-oxo clusters featuring an unprecedented defective double-cubane geometry","CrystEngComm","2023","25","11","1617","1625","10.1039/D2CE01653B","","","0.71073","MoKα","","0.1707","0.0881","","","0.2158","0.268","","","","","","0.937","","","","has coordinates,has disorder","282330","2023-04-04","10:14:31",""
"7246337","14.133","0.003","24.331","0.004","14.139","0.002","90","","119.109","0.004","90","","4247.9","1.3","170","2","170","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C92 H45 N16 O32.5 Zn8 -","- C92 H45 N16 O32.5 Zn8 -","- C92 H45 N16 O32.5 Zn8 -","1","0.5","","Meng, Xin-Wei; Ding, Tao; Liu, Bin; Gong, Xue-Song; Liu, Bo; Zheng, Li-Na","Highly selective C2H2 and CO2 capture based on two new ZnII-MOFs and fluorescence sensing of two doped MOFs with EuIII","CrystEngComm","2023","25","15","2313","2320","10.1039/D3CE00068K","","","0.71073","MoKα","","0.1274","0.0881","","","0.2322","0.2681","","","","","","1.07","","","","has coordinates,has disorder","283215","2023-05-05","01:27:24",""
"7246338","24.2819","0.0011","24.2419","0.0011","28.6093","0.0013","90","","90","","90","","16840.6","1.3","170","2","170","","","","","","","","","5","I b c a","-I 2b 2c","73","","","","- C46 H24 N8 O17 Zn4 -","- C46 H24 N8 O17 Zn4 -","- C368 H192 N64 O136 Zn32 -","8","0.5","","Meng, Xin-Wei; Ding, Tao; Liu, Bin; Gong, Xue-Song; Liu, Bo; Zheng, Li-Na","Highly selective C2H2 and CO2 capture based on two new ZnII-MOFs and fluorescence sensing of two doped MOFs with EuIII","CrystEngComm","2023","25","15","2313","2320","10.1039/D3CE00068K","","","1.54184","CuKα","","0.1717","0.1169","","","0.3209","0.3513","","","","","","0.976","","","","has coordinates,has disorder","283215","2023-05-05","01:27:24",""
"7246339","7.7223","0.0001","8.3116","0.0002","15.3112","0.0003","90","","101.017","0.002","90","","964.63","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Br N O2 -","- C9 H10 Br N O2 -","- C36 H40 Br4 N4 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","1.54184","CuKα","","0.0292","0.0275","","","0.0904","0.0922","","","","","","1.114","","","","has coordinates","282324","2023-04-04","10:12:02",""
"7246340","15.2078","0.0007","8.0042","0.0004","16.6991","0.0008","90","","91.133","0.004","90","","2032.32","0.17","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl4 Co N2 O2 -","- C18 H16 Cl4 Co N2 O2 -","- C72 H64 Cl16 Co4 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0309","0.0241","","","0.0557","0.058","","","","","","1.04","","","","has coordinates","282324","2023-04-04","10:12:13",""
"7246341","7.7734","0.0004","8.0302","0.0004","15.1465","0.0008","90","","99.036","0.005","90","","933.74","0.08","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 Cl N O2 -","- C9 H10 Cl N O2 -","- C36 H40 Cl4 N4 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.06","0.0557","","","0.1378","0.1403","","","","","","1.073","","","","has coordinates","282324","2023-04-04","10:12:24",""
"7246342","15.7785","0.0006","8.5996","0.0003","16.6373","0.0007","90","","92.28","0.004","90","","2255.71","0.15","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Br4 Cd N2 O2 -","- C18 H16 Br4 Cd N2 O2 -","- C72 H64 Br16 Cd4 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0225","0.0173","","","0.0381","0.0394","","","","","","1.029","","","","has coordinates","282324","2023-04-04","10:12:27",""
"7246343","13.7376","0.0004","4.3663","0.0002","22.527","0.0008","90","","95.846","0.003","90","","1344.2","0.09","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H12 Cl3 Hg N O3 -","- C9 H12 Cl3 Hg N O3 -","- C36 H48 Cl12 Hg4 N4 O12 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0159","0.0144","","","0.0338","0.0342","","","","","","1.046","","","","has coordinates","282324","2023-04-04","10:12:31",""
"7246344","8.3593","0.0001","13.0386","0.0002","18.9457","0.0003","76.385","0.001","83.619","0.001","84.652","0.001","1989.69","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C36 H36 Bi Cl7 N4 O6 -","- C36 H36 Bi Cl7 N4 O6 -","- C72 H72 Bi2 Cl14 N8 O12 -","2","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.014","0.0132","","","0.0327","0.0329","","","","","","1.065","","","","has coordinates","282324","2023-04-04","10:12:33",""
"7246345","7.4707","0.0002","10.1801","0.0002","14.1377","0.0004","86.275","0.002","86.472","0.002","84.89","0.002","1066.99","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Cl5 Fe N2 O2 -","- C18 H16 Cl5 Fe N2 O2 -","- C36 H32 Cl10 Fe2 N4 O4 -","2","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0253","0.0247","","","0.0627","0.063","","","","","","1.069","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246346","7.6819","0.0001","10.4227","0.0002","14.418","0.0003","86.456","0.002","85.113","0.002","85.066","0.002","1144.21","0.04","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Br5 Fe N2 O2 -","- C18 H16 Br5 Fe N2 O2 -","- C36 H32 Br10 Fe2 N4 O4 -","2","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0175","0.0159","","","0.0381","0.0387","","","","","","1.041","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246347","17.0128","0.0006","7.1435","0.0002","17.1911","0.0007","90","","90.158","0.003","90","","2089.24","0.13","100","0.1","100","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C18 H16 Br4 Co N2 O2 -","- C18 H16 Br4 Co N2 O2 -","- C72 H64 Br16 Co4 N8 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.1064","0.0805","","","0.2159","0.2344","","","","","","1.097","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246348","17.0829","0.0008","7.2297","0.0003","17.2934","0.0008","90","","90.388","0.004","90","","2135.76","0.17","100","0.1","100","0.1","","","","","","","","6","P 1 2/n 1","-P 2yac","13","","","","- C18 H16 Br4 Hg N2 O2 -","- C18 H16 Br4 Hg N2 O2 -","- C72 H64 Br16 Hg4 N8 O8 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0458","0.0361","","","0.0861","0.0901","","","","","","1.04","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246349","7.2163","0.0003","9.5228","0.0004","9.5411","0.0004","83.177","0.003","71.049","0.004","79.945","0.003","609.24","0.05","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C18 H20 Cl6 N2 O4 Sn -","- C18 H20 Cl6 N2 O4 Sn -","- C18 H20 Cl6 N2 O4 Sn -","1","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0433","0.0393","","","0.1162","0.1179","","","","","","1.108","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246350","4.0631","0.0001","21.2351","0.0007","14.5111","0.0005","90","","97.763","0.004","90","","1240.55","0.07","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Br3 N O Pb -","- C9 H8 Br3 N O Pb -","- C36 H32 Br12 N4 O4 Pb4 -","4","1","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0135","0.0118","","","0.0273","0.0277","","","","","","1.038","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246351","15.2852","0.0002","8.2556","0.0001","16.5412","0.0002","90","","91.317","0.001","90","","2086.76","0.04","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cl4 Hg N2 O2 -","- C18 H16 Cl4 Hg N2 O2 -","- C72 H64 Cl16 Hg4 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0082","0.0082","","","0.0215","0.0215","","","","","","1.12","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246352","15.2834","0.0006","8.2421","0.0004","16.5244","0.0007","90","","91.322","0.004","90","","2080.98","0.16","100","0.1","100","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 Cd Cl4 N2 O2 -","- C18 H16 Cd Cl4 N2 O2 -","- C72 H64 Cd4 Cl16 N8 O8 -","4","0.5","","Bogdan, Marta; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","On structural factors determining the nature of the fluorescent properties of OIHMs based on 8-hydroxyquinoline","CrystEngComm","2023","25","13","1993","2002","10.1039/D3CE00061C","","x-ray","0.71073","MoKα","","0.0231","0.0184","","","0.0397","0.041","","","","","","1.031","","","","has coordinates","282324","2023-04-04","10:12:36",""
"7246353","9.877","0.0006","12.1262","0.0009","12.1406","0.0008","66.668","0.006","83.456","0.005","83.448","0.005","1322.68","0.17","150.01","0.1","150","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H30 Fe K N2 O8 -","- C25 H30 Fe K N2 O8 -","- C50 H60 Fe2 K2 N4 O16 -","2","1","","Diment, Wilfred T.; Rosetto, Gloria; Ezaz-Nikpay, Noura; Kerr, Ryan W. F.; Williams, Charlotte K.","A highly active, thermally robust iron(iii)/potassium(i) heterodinuclear catalyst for bio-derived epoxide/anhydride ring-opening copolymerizations","Green Chemistry","2023","25","6","2262","2267","10.1039/D2GC04580J","","x-ray","1.54184","CuKα","","0.0423","0.0358","","","0.0905","0.0969","","","","","","1.035","","","","has coordinates","283367","2023-05-05","02:49:24",""
"7246354","9.0238","0.0002","12.9234","0.0002","19.4802","0.0003","90","","96.797","0.002","90","","2255.78","0.07","150","0.5","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H27 Fe N2 O6 -","- C23 H27 Fe N2 O6 -","- C92 H108 Fe4 N8 O24 -","4","1","","Diment, Wilfred T.; Rosetto, Gloria; Ezaz-Nikpay, Noura; Kerr, Ryan W. F.; Williams, Charlotte K.","A highly active, thermally robust iron(iii)/potassium(i) heterodinuclear catalyst for bio-derived epoxide/anhydride ring-opening copolymerizations","Green Chemistry","2023","25","6","2262","2267","10.1039/D2GC04580J","","","1.54184","CuKα","","0.0392","0.0311","","","0.0762","0.0809","","","","","","1.029","","","","has coordinates","283367","2023-05-05","02:49:24",""
"7246355","7.0227","0.0005","7.0227","0.0005","12.945","0.0013","90","","90","","120","","552.89","0.08","100","2","100","2","","","","","","","","5","P 31","P 31","144","","","","- H6 La3 Na3 O27 S6 -","- La3 Na3 O27 S6 -","- La3 Na3 O27 S6 -","1","0.333333","","Azeroual, H.; Bantignies, J.-L.; Maurin, D.; Granier, D.; Haines, J.; Cambon, O.; Hermet, P.","Highlights on the reversible nonpolar-to-polar <i>P</i>3<sub>1</sub>21-<i>P</i>3<sub>1</sub> phase transition at low temperature in NaLa(SO<sub>4</sub>)<sub>2</sub>·H<sub>2</sub>O: mechanism and piezoelectric properties.","Physical chemistry chemical physics : PCCP","2023","25","11","8168","8179","10.1039/d3cp00587a","","","0.71073","MoKα","","0.015","0.015","","","0.035","0.035","","","","","","1.039","","","","has coordinates","283509","2023-05-05","03:36:01",""
"7246356","7.9627","0.0009","9.0418","0.0009","9.2723","0.0009","68.798","0.009","76.506","0.009","83.945","0.009","605.05","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N2 O -","- C13 H15 N2 O -","- C26 H30 N4 O2 -","2","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0428","0.0406","","","0.1132","0.1158","","","","","","1.026","","","","has coordinates","284268","2023-06-05","04:26:03",""
"7246357","8.0063","0.0009","24.063","0.003","20.759","0.002","90","","96.238","0.002","90","","3975.7","0.8","296.15","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C44 H44 Cd N6 O6 -","- C44 H44 Cd N6 O6 -","- C176 H176 Cd4 N24 O24 -","4","0.5","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","","0.71073","MoKα","","0.0305","0.0247","","","0.0621","0.066","","","","","","1.036","","","","has coordinates","284268","2023-06-05","04:26:13",""
"7246358","21.516","0.003","6.3257","0.0008","20.465","0.003","90","","117.404","0.002","90","","2472.8","0.6","296.15","","296.15","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C23 H26 Cd N4 O6.5 -","- C23 H26 Cd N4 O6.5 -","- C92 H104 Cd4 N16 O26 -","4","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","","0.71073","MoKα","","0.0385","0.0272","","","0.0677","0.0748","","","","","","1.036","","","","has coordinates,has disorder","284268","2023-06-05","04:26:16",""
"7246359","14.371","0.0002","19.0998","0.0002","23.8664","0.0002","90","","90","","90","","6550.93","0.13","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C35 H34 N6 O5 Zn -","- C35 H34 N6 O5 Zn -","- C280 H272 N48 O40 Zn8 -","8","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0558","0.0497","","","0.1412","0.1464","","","","","","1.038","","","","has coordinates,has disorder","284268","2023-06-05","04:26:29",""
"7246360","28.8765","0.0004","23.5183","0.0004","16.9031","0.0002","90","","90","","90","","11479.3","0.3","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C29 H28 Cd N2 O7 -","- C26 H19 Cd N2 O5 -","- C416 H304 Cd16 N32 O80 -","16","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0779","0.0758","","","0.2125","0.2161","","","","","","1.079","","","","has coordinates","284268","2023-06-05","04:26:32",""
"7246361","29.0368","0.0003","22.6033","0.0002","16.92391","0.00015","90","","90","","90","","11107.6","0.18","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C29 H28 N3 O7 Zn -","- C26 H19 N2 O5 Zn -","- C416 H304 N32 O80 Zn16 -","16","1","","Li, Chaoxiong; Sun, Xuancheng; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","Construction of ZnII/CdII-CPs and their fluorescent detection for Fe3+, Cr2O72− and TNP in water via luminescence quenching","CrystEngComm","2023","25","18","2728","2738","10.1039/D3CE00135K","","x-ray","1.54184","CuKα","","0.0391","0.0351","","","0.1066","0.11","","","","","","1.085","","","","has coordinates","284268","2023-06-05","04:26:42",""
"7246362","7.2581","0.0015","19.176","0.004","7.9267","0.0016","90","","102.24","0.03","90","","1078.2","0.4","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cr2 N8 O10 -","- C18 H14 Cr2 N8 O10 -","- C36 H28 Cr4 N16 O20 -","2","0.5","","Zhou, Shu-Fang; Zhang, Hong-Jie; Zhang, Chen-Xi; Wang, Qing-Lun","A Cr(iii) supramolecular network composite membrane with high water stability and proton conductivity","CrystEngComm","2023","25","13","2003","2010","10.1039/D2CE01610A","","","0.71073","MoKα","","0.091","0.0847","","","0.1656","0.1686","","","","","","1.23","","","","has coordinates","282326","2023-04-04","10:12:58",""
"7246363","14.124","0.0002","9.70051","0.00018","9.5835","0.00016","90","","95.9776","0.0016","90","","1305.9","0.04","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 Cd N4 O3 -","- C9 H11 Cd N4 O3 -","- C36 H44 Cd4 N16 O12 -","4","1","","Vakil, Farhat; Ahmad, M. Shahwaz; Kumar, Manjeet; Ansari, Azaj; Shahid, M.; Ahmad, Musheer","Fabrication of a Cd(ii) metal–organic framework as a dual functional material: efficient iodine capture and selective adsorption of a cationic dye","CrystEngComm","2023","25","15","2280","2297","10.1039/D3CE00048F","","","0.71073","MoKα","","0.0312","0.025","","","0.0654","0.0704","","","","","","1.0476","","","","has coordinates","283218","2023-05-05","01:28:15",""
"7246364","21.0161","0.0011","15.2805","0.0006","11.3726","0.0005","90","","90","","90","","3652.2","0.3","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","none","dimethyl trans-9,10-dihydro-9,10-ethanoanthracene-11,12-dicarboxylate pyridine clathrate","","- C22.5 H20.5 N0.5 O4 -","- C20 H18 O4 -","- C160 H144 O32 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0442","0.0386","","","0.0985","0.1024","","","","","","1.037","","","","has coordinates","282334","2023-04-04","10:16:01",""
"7246365","21.2925","0.0013","15.5355","0.001","11.4506","0.0006","90","","90","","90","","3787.7","0.4","296","2","296","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","trans-dimethyl 9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxylate","","- C22 H20.333 N0.333 O4 -","- C21.9998 H20.3331 N0.3333 O4 -","- C175.998 H162.665 N2.6664 O32 -","8","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.085","0.0601","","","0.1645","0.1974","","","","","","1.073","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246366","22.263","0.002","9.8738","0.0009","35.777","0.004","90","","93.222","0.006","90","","7852.1","1.3","296","2","296","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","trans-α,α,α',α'-tetraphenyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","- C102 H89 N3 O4 -","- C102 H89 N3 O4 -","- C408 H356 N12 O16 -","4","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0839","0.0507","","","0.1291","0.1514","","","","","","1.034","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246367","21.396","0.0012","15.5788","0.0009","11.3832","0.0006","90","","90","","90","","3794.3","0.4","200","2","200","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","trans-dimethyl 9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxylate","","- C46 H43 N O8 -","- C46 H43 N O8 -","- C184 H172 N4 O32 -","4","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0841","0.0695","","","0.209","0.229","","","","","","1.044","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246368","15.7544","0.0007","25.0313","0.0011","40.1189","0.0016","90","","90","","90","","15821","1.2","296","2","296","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","","trans-α,α,α',α'-tetra(p-chlorophenyl)-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","- C48 H37 Cl4 N O2 -","- C48 H37 Cl4 N O2 -","- C768 H592 Cl64 N16 O32 -","16","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0971","0.0594","","","0.1615","0.1968","","","","","","1.016","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246369","11.2912","0.0006","21.2529","0.0013","15.8162","0.001","90","","90.136","0.003","90","","3795.4","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-dimethyl 9,10-dihydro-9,10- ethanoanthracene-11,12-dicarboxylate","","- C46 H43 N O8 -","- C46 H43 N O8 -","- C184 H172 N4 O32 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0636","0.0552","","","0.1512","0.1648","","","","","","1.043","","","","has coordinates,has disorder","282334","2023-04-04","10:16:02",""
"7246370","18.95","0.004","8.983","0.002","22.253","0.005","90","","107.012","0.009","90","","3622.3","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","trans-α,α,α',α'-tetraphenyl-9,10-dihydro-9,10-ethanoanthracene-11,12-dimethanol","","- C48 H41 N O2 -","- C48 H41 N O2 -","- C192 H164 N4 O8 -","4","1","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.0651","0.0463","","","0.1159","0.1321","","","","","","1.035","","","","has coordinates","282334","2023-04-04","10:16:02",""
"7246371","15.5845","0.0013","24.9973","0.0019","40.03","0.004","90","","90","","90","","15595","2","173","2","173","2","","","","","","","","5","F d d d :2","-F 2uv 2vw","70","none","1,1,1',1'-tetrakis(p-Chlorophenyl)-(9,10-ethanoanthracene-trans-11,12-diyl)dimethanol 2-methylpyridine clathrate'","","- C48 H37 Cl4 N O2 -","- C48 H37 Cl4 N O2 -","- C768 H592 Cl64 N16 O32 -","16","0.5","","Barton, Benita; Caira, Mino R.; Senekal, Ulrich; Hosten, Eric C.","Complementary host behaviour of three anthracenyl-derived roof-shaped compounds in mixed pyridines","CrystEngComm","2023","25","12","1740","1754","10.1039/D3CE00080J","","","0.71073","MoKα","","0.057","0.0515","","","0.1252","0.129","","","","","","1.117","","","","has coordinates","282334","2023-04-04","10:16:02",""
"7246372","7.3058","0.0011","10.1615","0.0014","12.4124","0.0018","105.388","0.006","106.574","0.006","100.321","0.006","818.5","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H16 Cl2 N2 O3 S -","- C15 H16 Cl2 N2 O3 S -","- C30 H32 Cl4 N4 O6 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.1396","0.0633","","","0.1243","0.152","","","","","","0.965","","","","has coordinates","282323","2023-04-04","10:11:30",""
"7246373","8.7279","0.0003","9.6603","0.0003","11.4482","0.0004","86.524","0.003","77.743","0.003","71.031","0.003","891.98","0.06","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H18 Cl2 N2 O4 S -","- C16 H18 Cl2 N2 O4 S -","- C32 H36 Cl4 N4 O8 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","1.54184","CuKα","","0.0421","0.0415","","","0.1139","0.1147","","","","","","1.061","","","","has coordinates","282323","2023-04-04","10:11:33",""
"7246374","7.2276","0.0005","26.5464","0.0019","8.5613","0.0006","90","","112.99","0.003","90","","1512.16","0.19","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N2 O2 S -","- C14 H14 Cl2 N2 O2 S -","- C56 H56 Cl8 N8 O8 S4 -","4","2","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.084","0.0507","","","0.0867","0.0982","","","","","","1.016","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246375","8.1335","0.0002","9.2637","0.0002","10.0924","0.0003","72.817","0.002","72.328","0.003","76.935","0.002","684.39","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H9 Cl2 N3 O2 S -","- C12 H9 Cl2 N3 O2 S -","- C24 H18 Cl4 N6 O4 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","1.54184","CuKα","","0.0363","0.0358","","","0.0985","0.0992","","","","","","1.031","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246376","12.2812","0.0006","7.35","0.0004","17.434","0.0009","90","","97.212","0.002","90","","1561.26","0.14","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl2 N2 O4 S -","- C14 H14 Cl2 N2 O4 S -","- C56 H56 Cl8 N8 O16 S4 -","4","2","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.0446","0.0362","","","0.0697","0.0727","","","","","","1.037","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246377","7.542","0.0014","8.8365","0.0016","11.384","0.002","83.566","0.006","83.963","0.006","88.682","0.006","749.7","0.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Cl2 N3 O3 S -","- C13 H11 Cl2 N3 O3 S -","- C26 H22 Cl4 N6 O6 S2 -","2","1","","Kolesnik, Irina A.; Potkin, Vladimir I.; Grigoriev, Mikhail S.; Novikov, Anton P.; Gomila, Rosa M.; Podrezova, Alexandra G.; Brazhkin, Vadim V.; Zubkov, Fedor I.; Frontera, Antonio","Synthesis, X-ray characterization and DFT calculations of a series of 3-substituted 4,5-dichloroisothiazoles","CrystEngComm","2023","25","13","1976","1985","10.1039/D3CE00112A","","","0.71073","MoKα","","0.1077","0.0527","","","0.1013","0.1207","","","","","","0.993","","","","has coordinates","282323","2023-04-04","10:11:36",""
"7246378","17.6312","0.0007","19.4232","0.0004","31.839","0.0012","104.948","0.003","103.585","0.003","90.131","0.003","10216.7","0.6","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C141 H114 N13 O33 Zn6 -","- C141 H114 N13 O33 Zn6 -","- C282 H228 N26 O66 Zn12 -","2","1","","Delledonne, Andrea; Orlandini, Martina; Terenziani, Francesca; Mazzeo, Paolo Pio; Bacchi, Alessia; Carlucci, Lucia; Comotti, Angiolina; Perego, Jacopo; Pelagatti, Paolo","Luminescence properties of mixed-ligand MOFs containing fluorene scaffolds functionalized with isonicotinoyl arms","CrystEngComm","2023","25","14","2085","2095","10.1039/D3CE00087G","","","0.7","synchrotron","","0.1688","0.1422","","","0.4017","0.4218","","","","","","1.512","","","","has coordinates","282339","2023-04-04","10:18:35",""
"7246379","31.752","0.002","17.8208","0.0005","19.1271","0.0008","90","","105.392","0.006","90","","10434.8","0.9","293","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C64 H41 N5 O16 Zn3 -","- C64 H41 N5 O16 Zn3 -","- C256 H164 N20 O64 Zn12 -","4","1","","Delledonne, Andrea; Orlandini, Martina; Terenziani, Francesca; Mazzeo, Paolo Pio; Bacchi, Alessia; Carlucci, Lucia; Comotti, Angiolina; Perego, Jacopo; Pelagatti, Paolo","Luminescence properties of mixed-ligand MOFs containing fluorene scaffolds functionalized with isonicotinoyl arms","CrystEngComm","2023","25","14","2085","2095","10.1039/D3CE00087G","","","0.7","synchrotron","","0.2076","0.1563","","","0.429","0.4615","","","","","","1.467","","","","has coordinates,has disorder","282339","2023-04-04","10:18:35",""
"7246380","32.28","0.06","17.76","0.03","19.21","0.03","90","","104.08","0.05","90","","10682","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C65.5 H46.5 N5.5 O15.5 Zn3 -","- C65.5 H46.5 N5.5 O15.5 Zn3 -","- C262 H186 N22 O62 Zn12 -","4","1","","Delledonne, Andrea; Orlandini, Martina; Terenziani, Francesca; Mazzeo, Paolo Pio; Bacchi, Alessia; Carlucci, Lucia; Comotti, Angiolina; Perego, Jacopo; Pelagatti, Paolo","Luminescence properties of mixed-ligand MOFs containing fluorene scaffolds functionalized with isonicotinoyl arms","CrystEngComm","2023","25","14","2085","2095","10.1039/D3CE00087G","","","0.7","synchrotron","","0.1675","0.1013","","","0.2967","0.3684","","","","","","1.025","","","","has coordinates,has disorder","282339","2023-04-04","10:18:35",""
"7246381","17.3665","0.0008","11.9235","0.0006","14.1752","0.0007","90","","109.802","0.002","90","","2761.7","0.2","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","2DMT/o-cresol","(R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","","- C67 H68 O9 -","- C67 H68 O9 -","- C134 H136 O18 -","2","0.5","","Barton, Benita; Pohl, Pieter L.; Hosten, Eric C.","An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols","CrystEngComm","2023","25","12","1731","1739","10.1039/D3CE00101F","","","0.71073","MoKα","","0.0368","0.0326","","","0.0861","0.0891","","","","","","1.019","","","","has coordinates,has disorder","282337","2023-04-04","10:16:53",""
"7246382","17.3219","0.0009","12.0646","0.0006","14.1378","0.0007","90","","110.136","0.002","90","","2774","0.2","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","2DMT/m-cresol","(R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","","- C67 H68 O9 -","- C67 H68 O9 -","- C134 H136 O18 -","2","0.5","","Barton, Benita; Pohl, Pieter L.; Hosten, Eric C.","An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols","CrystEngComm","2023","25","12","1731","1739","10.1039/D3CE00101F","","","0.71073","MoKα","","0.0418","0.0349","","","0.0886","0.0931","","","","","","1.03","","","","has coordinates,has disorder","282337","2023-04-04","10:17:02",""
"7246383","17.3436","0.0012","12.0126","0.0008","14.0767","0.001","90","","110.152","0.003","90","","2753.2","0.3","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","2DMT/p-cresol","(R,R)-(-)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol","","- C67 H68 O9 -","- C67 H68 O9 -","- C134 H136 O18 -","2","0.5","","Barton, Benita; Pohl, Pieter L.; Hosten, Eric C.","An investigation of the selectivity behaviour of host compound (R,R)-(−)-2,3-dimethoxy-1,1,4,4-tetraphenylbutane-1,4-diol in mixed cresols","CrystEngComm","2023","25","12","1731","1739","10.1039/D3CE00101F","","","0.71073","MoKα","","0.0393","0.0333","","","0.0838","0.0874","","","","","","1.034","","","","has coordinates,has disorder","282337","2023-04-04","10:17:06",""
"7246384","7.4921","0.0002","6.3776","0.0001","12.2609","0.0003","90","","106.057","0.002","90","","562.99","0.02","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C22 H20 F2 N6 O10 -","2","1","","Bu, Fan-Zhi; Yu, Yue-Ming; Zhang, Lin-Lin; Yan, Cui-Wei; Wu, Zhi-Yong; Li, Yan-Tuan","Salification-driven strategy toward the hydrophobic molecular salt of the antifungal drug 5-fluorocytosine and protocatechuic acid with triple-helix structure offers an innovative insight for conquering adverse drug reactions","CrystEngComm","2023","25","13","1951","1964","10.1039/D2CE01523D","","","1.54178","CuKα","","0.0232","0.0231","","","0.0621","0.0622","","","","","","1.111","","","","has coordinates","282320","2023-04-04","10:10:19",""
"7246397","7.754","0.006","9.591","0.009","11.88","0.011","85.36","0.03","80.05","0.02","70.72","0.02","821.1","1.3","273","2","273","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H10 Cl2 N2 O6 S2 -","- C10 H10 Cl2 N2 O6 S2 -","- C20 H20 Cl4 N4 O12 S4 -","2","1","","Kar, Ananya; Giri, Lopamudra; Kenguva, Gowtham; Rout, Smruti Rekha; Dandela, Rambabu","Exploration and investigation of various solid forms of an anti-glaucoma drug – dichlorphenamide","CrystEngComm","2023","25","13","1874","1883","10.1039/D2CE01690G","","","0.71073","MoKα","","0.1007","0.072","","","0.1928","0.2135","","","","","","1.231","","","","has coordinates","282321","2023-04-04","10:10:39",""
"7246398","11.91","0.001","9.772","0.001","18.427","0.001","90","","100.1","0.01","90","","2111.4","0.3","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H6 Cl2 N2 O4 S2 -","- C6 H6 Cl2 N2 O4 S2 -","- C48 H48 Cl16 N16 O32 S16 -","8","2","","Kar, Ananya; Giri, Lopamudra; Kenguva, Gowtham; Rout, Smruti Rekha; Dandela, Rambabu","Exploration and investigation of various solid forms of an anti-glaucoma drug – dichlorphenamide","CrystEngComm","2023","25","13","1874","1883","10.1039/D2CE01690G","","","0.71073","MoKα","","0.0387","0.0327","","","0.0779","0.0819","","","","","","1.057","","","","has coordinates","282321","2023-04-04","10:10:50",""
"7246399","15.172","0.004","11.583","0.005","29.439","0.005","90","","95.35","0.02","90","","5151","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Cl2 Cu2 N8 O10 S2 -","- C14 H18 Cl2 Cu2 N8 O10 S2 -","- C112 H144 Cl16 Cu16 N64 O80 S16 -","8","1","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.0532","0.0361","","","","0.0955","","","","","","0.939","","","","has coordinates","283219","2023-05-05","01:28:28",""
"7246400","14.812","0.014","9.144","0.004","17.494","0.009","90","","104.95","0.09","90","","2289","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Cl2 Cu2 N8 O8 S2 -","- C14 H14 Cl2 Cu2 N8 O8 S2 -","- C56 H56 Cl8 Cu8 N32 O32 S8 -","4","0.5","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.1265","0.0516","","","","0.1329","","","","","","0.802","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246401","14.429","0.006","18.17","0.013","13.688","0.005","90","","118.29","0.04","90","","3160","3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 Cl4 Cu2 N8 O19 S2 -","- C14 H22 Cl4 Cu2 N8 O19 S2 -","- C56 H88 Cl16 Cu8 N32 O76 S8 -","4","0.5","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.1104","0.0453","","","","0.1032","","","","","","0.832","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246402","16.963","0.003","10.1822","0.0013","18.387","0.003","90","","91.86","0.014","90","","3174.1","0.9","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 Cl Cu2 N12 O6 S3 -","- C21 H25 Cl Cu2 N12 O6 S3 -","- C84 H100 Cl4 Cu8 N48 O24 S12 -","4","1","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.187","0.0516","","","","0.1234","","","","","","0.823","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246403","14.95","0.005","6.5697","0.0017","15.01","0.005","90","","106.96","0.02","90","","1410.1","0.8","293","2","293","2","","","","","","","","7","C 1 2/m 1","-C 2y","12","","","","- C8 H8 Cl Cu N5 O4 S2 -","- C8 H8 Cl Cu N5 O4 S2 -","- C32 H32 Cl4 Cu4 N20 O16 S8 -","4","0.5","","Gil-García, Rubén; Madariaga, Gotzon; Jiménez-Pérez, Alondra; Herrán-Torres, Ignacio; Gago-González, Adrián; Ugalde, María; Januskaitis, Vaidas; Barrera-García, Joaquín; Insausti, Maite; S. Galletero, María; Borrás, Joaquín; Cuevas, José Vicente; Pedrido, Rosa; Gómez-Saiz, Patricia; Lezama, Luis; García-Tojal, Javier","Perchlorate-induced structural diversity in thiosemicarbazone copper(ii) complexes provides insights to understand the reactivity in acidic and basic media","CrystEngComm","2023","25","15","2213","2226","10.1039/D3CE00119A","","","0.71069","MoKα","","0.1265","0.0497","","","","0.1154","","","","","","0.836","","","","has coordinates","283219","2023-05-05","01:28:29",""
"7246404","12.1962","0.0001","14.5964","0.0001","15.1337","0.0002","90","","90","","90","","2694.11","0.05","276.85","0.13","276.85","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","","1.54178","CuKα","","0.0343","0.0326","","","0.0918","0.0932","","","","","","1.048","","","","has coordinates,has disorder","283214","2023-05-05","01:26:50",""
"7246405","12.1948","0.00012","14.5982","0.00014","15.13607","0.00015","90","","90","","90","","2694.56","0.05","275.58","0.1","275.58","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.032","0.0304","","","0.0849","0.0861","","","","","","1.056","","","","has coordinates","283214","2023-05-05","01:26:53",""
"7246406","9.3292","0.0005","12.1601","0.0004","12.7627","0.0005","71.759","0.003","81.597","0.004","81.225","0.004","1351.51","0.1","298.78","0.1","298.78","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C64 H60 B2 Br2 -","2","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0514","0.0445","","","0.1197","0.1246","","","","","","1.023","","","","has coordinates","283214","2023-05-05","01:26:55",""
"7246407","9.3353","0.0005","12.1678","0.0004","12.7548","0.0006","71.785","0.004","81.609","0.004","81.171","0.003","1352.49","0.11","298.86","0.1","298.86","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C64 H60 B2 Br2 -","2","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0532","0.0457","","","0.1269","0.1323","","","","","","1.041","","","","has coordinates","283214","2023-05-05","01:26:55",""
"7246408","12.1955","0.0001","14.5967","0.0001","15.1339","0.0001","90","","90","","90","","2694.05","0.03","276.17","0.13","276.17","0.13","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0356","0.0339","","","0.093","0.0941","","","","","","1.05","","","","has coordinates,has disorder","283214","2023-05-05","01:27:05",""
"7246409","12.18719","0.00019","14.6021","0.0002","15.1221","0.0002","90","","90","","90","","2691.11","0.07","299.5","0.18","299.5","0.18","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C128 H120 B4 Br4 -","4","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0402","0.0384","","","0.1023","0.1039","","","","","","1.085","","","","has coordinates","283214","2023-05-05","01:27:08",""
"7246410","9.3313","0.0003","12.1551","0.0003","12.7667","0.0003","71.773","0.002","81.625","0.002","81.167","0.002","1351.7","0.07","275.5","0.3","275.5","0.3","","","","","","","","4","P -1","-P 1","2","","","","- C32 H30 B Br -","- C32 H30 B Br -","- C64 H60 B2 Br2 -","2","1","","Xie, Yangbin; Dai, Songshan; Wang, Yue; Wang, Xi; Sun, Ying; Ju, Zhenghua; Fang, Ran; Zhang, Baoxin; Wu, Jincai; Zhang, Xiaoxiang; Pan, Xiaobo","Structural and mechanistic studies of excitation- and temperature-tunable multicolor luminescence of triarylborane","CrystEngComm","2023","25","15","2204","2212","10.1039/D2CE01590K","","x-ray","1.54184","CuKα","","0.0583","0.05","","","0.1448","0.1549","","","","","","1.0415","","","","has coordinates","283214","2023-05-05","01:27:10",""
"7246411","7.1754","0.0006","13.8861","0.0011","10.7991","0.0008","90","","104.604","0.003","90","","1041.24","0.14","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H13 N3 O3 -","- C10 H13 N3 O3 -","- C40 H52 N12 O12 -","4","1","","Panja, Anangamohan; Das, Mainak; Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Ortega-Castro, Joaquín; Frontera, Antonio; Ray, Partha Pratim","Combined experimental and theoretical studies of conformationally diverse (thio)semicarbazone-based semiconducting materials","CrystEngComm","2023","25","14","2133","2143","10.1039/D3CE00137G","","","0.71073","MoKα","","0.0463","0.0375","","","0.1069","0.1151","","","","","","1.05","","","","has coordinates","282311","2023-04-04","10:07:15",""
"7246412","7.919","0.008","10.604","0.009","13.971","0.014","89.16","0.03","78","0.04","78.24","0.03","1123","1.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 N3 O2 S -","- C10 H13 N3 O2 S -","- C40 H52 N12 O8 S4 -","4","2","","Panja, Anangamohan; Das, Mainak; Jana, Narayan Ch.; Brandão, Paula; Gomila, Rosa M.; Ortega-Castro, Joaquín; Frontera, Antonio; Ray, Partha Pratim","Combined experimental and theoretical studies of conformationally diverse (thio)semicarbazone-based semiconducting materials","CrystEngComm","2023","25","14","2133","2143","10.1039/D3CE00137G","","","0.71073","MoKα","","0.0506","0.039","","","0.1051","0.1142","","","","","","1.03","","","","has coordinates","282311","2023-04-04","10:07:15",""
"7246413","13.0551","0.0006","7.4021","0.0003","13.9932","0.0006","90","","101.381","0.002","90","","1325.65","0.1","300","","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 I N O -","- C15 H10 I N O -","- C60 H40 I4 N4 O4 -","4","1","","Wu, Jianglong; Ma, Yinfeng; Wang, Yan; Wang, Chenyu; Luo, Hui; Li, Dianjun; Yang, Jinhui","Copper-catalyzed direct synthesis of 3-methylene-2-arylisoindolin-1-ones with calcium carbide as a surrogate of gaseous acetylene","Green Chemistry","2023","25","9","3425","3430","10.1039/D2GC03572C","","","0.71073","MoKα","","0.033","0.027","","","0.0803","0.0982","","","","","","0.997","","","","has coordinates","284285","2023-06-05","04:36:46",""
"7246414","5.59344","0.00009","16.8308","0.0003","10.18927","0.00016","90","","93.3318","0.0015","90","","957.62","0.03","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pentafluorophenyl Trifluoroacetate","","","- C8 F8 O S -","- C8 F8 O S -","- C32 F32 O4 S4 -","4","1","","Cayón, Vanina M; Erben, Mauricio F.; Romano, Rosana M.; Stammler, Hans-Georg; Mitzel, Norbert W.; Della Védova, Carlos O","Spectroscopic and structural studies on phenyl and pentafluorophenyl trifluorothioacetate, and pentafluorophenyl trifluoroacetate, CF<sub>3</sub>C(O)SC<sub>6</sub>H<sub>5</sub>, CF<sub>3</sub>C(O)SC<sub>6</sub>F<sub>5</sub> and CF<sub>3</sub>C(O)OC<sub>6</sub>F<sub>5</sub>.","Physical chemistry chemical physics : PCCP","2023","25","13","9394","9403","10.1039/d2cp05909f","","","0.71073","MoKα","","0.0264","0.0221","","","0.0489","0.0509","","","","","","1.0546","","","","has coordinates","283504","2023-05-05","03:35:02",""
"7246415","8.0609","0.0005","5.4728","0.0003","19.87","0.0012","90","","96.277","0.006","90","","871.32","0.09","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Phenyl Trifluorothioacetate","","","- C8 H5 F3 O S -","- C8 H5 F3 O S -","- C32 H20 F12 O4 S4 -","4","1","","Cayón, Vanina M; Erben, Mauricio F.; Romano, Rosana M.; Stammler, Hans-Georg; Mitzel, Norbert W.; Della Védova, Carlos O","Spectroscopic and structural studies on phenyl and pentafluorophenyl trifluorothioacetate, and pentafluorophenyl trifluoroacetate, CF<sub>3</sub>C(O)SC<sub>6</sub>H<sub>5</sub>, CF<sub>3</sub>C(O)SC<sub>6</sub>F<sub>5</sub> and CF<sub>3</sub>C(O)OC<sub>6</sub>F<sub>5</sub>.","Physical chemistry chemical physics : PCCP","2023","25","13","9394","9403","10.1039/d2cp05909f","","","0.71073","MoKα","","0.0626","0.0541","","","0.1609","0.1675","","","","","","1.0419","","","","has coordinates","283504","2023-05-05","03:35:03",""
"7246418","9.58017","0.00005","9.58017","0.00005","33.7964","0.0003","90","","90","","90","","3101.82","0.04","100.01","0.16","100.01","0.16","","","","","","","","4","P 43","P 4cw","78","","(4R,7aR)-4-methyl-3,7-diphenyl-5,6,7,7a-tetrahydrofuro[2,3-b]pyridin-2(4H)-one","","- C20 H19 N O2 -","- C20 H19 N O2 -","- C160 H152 N8 O16 -","8","2","","Feng, Tian; Zhu, Zile; Zhang, Dongmei; Wang, Siyi; Li, Ruopu; Zhu, Zhaolin; Zhang, Xinxing; Qiu, Youai","Electrochemical dual α,β-C(sp3)–H functionalization of cyclic N-aryl amines","Green Chemistry","2023","25","7","2681","2689","10.1039/D3GC00344B","","x-ray","1.54184","CuKα","","0.0527","0.0518","","","0.1242","0.1247","","","","","","1.142","","","","has coordinates","283368","2023-05-05","02:49:30",""
"7246419","11.6432","0.0002","16.4149","0.0002","9.6857","0.0002","90","","113.866","0.002","90","","1692.87","0.06","294.5","0.3","294.5","0.3","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 S2 -","- C16 H19 N O3 S2 -","- C64 H76 N4 O12 S8 -","4","1","","Wang, Qian; Meng, Xiu-Jin; Tang, Hai-Tao; Pan, Ying-Ming; Duan, Wen-Gui; He, Mu-Xue","Electrochemically driven α-thiocarbamylation via a dehydrocoupling strategy of β-ketoesters with amines and CS2","Green Chemistry","2023","25","7","2572","2576","10.1039/D2GC04544C","","x-ray","1.54184","CuKα","","0.0636","0.0618","","","0.1713","0.1736","","","","","","0.911","","","","has coordinates","283369","2023-05-05","02:49:37",""
"7246420","25.8454","0.0007","30.9591","0.0005","33.6076","0.001","90","","100.869","0.003","90","","26408.7","1.2","150","2","150.15","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C228 H168 Ag17 Au10 Cl5 F36 P10 S6 -","- C228 H168 Ag17 Au10 Cl5 F36 P10 S6 -","- C912 H672 Ag68 Au40 Cl20 F144 P40 S24 -","4","1","","Ma, Along; Wang, Jiawei; Kong, Jie; Ren, Yonggang; Wang, Yuxuan; Ma, Xiaoshuang; Zhou, Meng; Wang, Shuxin","Au<sub>10</sub>Ag<sub>17</sub>(TPP)<sub>10</sub>(SR)<sub>6</sub>Cl<sub>5</sub> nanocluster: structure, transformation and the origin of its photoluminescence.","Physical chemistry chemical physics : PCCP","2023","25","14","9772","9778","10.1039/d3cp00459g","","","0.71073","MoKα","","0.2127","0.124","","","0.3274","0.3722","","","","","","1.147","","","","has coordinates,has disorder","283506","2023-05-05","03:35:21",""
"7246421","10.4776","0.0004","11.3099","0.0004","11.4836","0.0004","75.205","0.001","73.441","0.001","73.736","0.001","1229.18","0.08","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C32 H19 N4 O4 Zn -","- C32 H19 N4 O4 Zn -","- C64 H38 N8 O8 Zn2 -","2","1","","Qi, Shengsheng; Li, Zhang; Jia, Yuejiao; Li, Dechao; Hu, Ming","A Zn-coordination polymer as a multifunctional fluorescent probe for the detection of V<sub>2</sub>O<sub>7</sub><sup>4-</sup>, Fe<sup>3+</sup>, and <i>p</i>-nitrotoluene.","Physical chemistry chemical physics : PCCP","2023","25","14","10090","10096","10.1039/d2cp05921e","","x-ray","0.71073","MoKα","","0.0336","0.028","","","0.0707","0.0734","","","","","","1.037","","","","has coordinates","283505","2023-05-05","03:35:09",""
"7246422","11.3761","0.0007","4.3405","0.0003","14.3469","0.0009","90","","90","","90","","708.42","0.08","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- Cu Eu Gd Te3 -","- Cu Eu Gd Te3 -","- Cu4 Eu4 Gd4 Te12 -","4","0.5","","Ruseikina, Anna V.; Grigoriev, Maxim V.; Garmonov, Alexander A.; Molokeev, Maxim S.; Schleid, Thomas; Safin, Damir A.","Synthesis, structures and magnetic properties of the Eu-based quaternary tellurides EuGdCuTe3 and EuLuCuTe3","CrystEngComm","2023","25","12","1716","1722","10.1039/D2CE01578A","","","0.71069","MoKα","","0.0325","0.0248","","","0.0583","0.0605","","","","","","1.082","","","","has coordinates","282336","2023-04-04","10:16:37",""
"7246423","4.2937","0.0003","14.2876","0.0009","11.1174","0.0007","90","","90","","90","","682.02","0.08","293","2","293","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cu Eu Lu Te3 -","- Cu Eu Lu Te3 -","- Cu4 Eu4 Lu4 Te12 -","4","0.25","","Ruseikina, Anna V.; Grigoriev, Maxim V.; Garmonov, Alexander A.; Molokeev, Maxim S.; Schleid, Thomas; Safin, Damir A.","Synthesis, structures and magnetic properties of the Eu-based quaternary tellurides EuGdCuTe3 and EuLuCuTe3","CrystEngComm","2023","25","12","1716","1722","10.1039/D2CE01578A","","","0.71069","MoKα","","0.0384","0.0297","","","0.0646","0.0671","","","","","","1.115","","","","has coordinates","282336","2023-04-04","10:16:40",""
"7246424","9.4797","0.001","15.7695","0.0016","6.796","0.0008","90","","94.474","0.004","90","","1012.84","0.19","273.15","","273.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","C4H11CdCl4N","","- C4 H11 Cd Cl4 N -","- C4 H11 Cd Cl4 N -","- C16 H44 Cd4 Cl16 N4 -","4","1","","Shen, Chuanying; Liu, Jie; Wu, Kui; Xu, Longyun; Sun, Defu; Dang, Yangyang; Wang, Jiyang; Wang, Duanliang","High stability and moderate second-order nonlinear optical properties of hybrid lead-free perovskite [(CH3)3NCH2Cl]CdCl3 bulk crystals","CrystEngComm","2023","25","15","2264","2270","10.1039/D3CE00145H","","","0.71073","MoKα","","0.0223","0.018","","","0.0387","0.0401","","","","","","1.07","","","","has coordinates","283211","2023-05-05","01:25:41",""
"7246425","25.949","0.007","10.787","0.003","11.392","0.003","90","","101.972","0.008","90","","3119.4","1.5","193","","193","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N O -","- C20 H19 N O -","- C160 H152 N8 O8 -","8","2","","Wei, Minghui; Liu, Chengkou; Wang, Chang-Sheng; Li, Yuguang; Qiu, Peng; Dong, Quanxiao; Yang, Zhao; Fang, Zheng; Guo, Kai","Synthesis of pyrido[1,2-a]indol-6(7H)-ones via a visible light-photocatalyzed formal (4 + 2) cycloaddition of indole-derived bromides and alkenes or alkynes","Green Chemistry","2023","25","6","2453","2457","10.1039/D2GC04491A","","","0.71073","MoKα","","0.1969","0.0996","","","0.1989","0.2444","","","","","","1.061","","","","has coordinates","283365","2023-05-05","02:48:43",""
"7246426","27.6725","0.0006","27.6725","0.0006","12.4913","0.0004","90","","90","","120","","8283.9","0.4","125","2","125","2","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C12 H28 Cl2 Mo N2 O2 -","- C12 H28 Cl2 Mo N2 O2 -","- C216 H504 Cl36 Mo18 N36 O36 -","18","1","","Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.; Barry, Seán T","Disturbance of intermolecular forces: eutectics as a new tool for the preparation of vapor-phase deposition precursors.","Physical chemistry chemical physics : PCCP","2023","25","12","8336","8340","10.1039/d2cp05341a","","","0.71073","MoKα","","0.0352","0.0232","","","0.0424","0.0489","","","","","","1.165","","","","has coordinates","283510","2023-05-05","03:36:12",""
"7246427","9.9569","0.0004","11.9148","0.0005","16.1787","0.0007","82.1846","0.0017","81.8216","0.0016","74.5167","0.0015","1821.19","0.13","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H57 Cl4 Mo2 N5 O2 -","- C24 H57 Cl4 Mo2 N5 O2 -","- C48 H114 Cl8 Mo4 N10 O4 -","2","1","","Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.; Barry, Seán T","Disturbance of intermolecular forces: eutectics as a new tool for the preparation of vapor-phase deposition precursors.","Physical chemistry chemical physics : PCCP","2023","25","12","8336","8340","10.1039/d2cp05341a","","","0.71073","MoKα","","0.0666","0.0436","","","0.0814","0.0978","","","","","","1.06","","","","has coordinates,has disorder","283510","2023-05-05","03:36:12",""
"7246428","11.6961","0.0018","15.988","0.003","16.238","0.003","113.368","0.005","108.738","0.005","97.767","0.005","2516.4","0.8","125","2","125","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H77 Cl7 Mo3 N7 O2 -","- C32 H77 Cl7 Mo3 N7 O2 -","- C64 H154 Cl14 Mo6 N14 O4 -","2","1","","Land, Michael A.; Robertson, Katherine N.; Clyburne, Jason A. C.; Barry, Seán T","Disturbance of intermolecular forces: eutectics as a new tool for the preparation of vapor-phase deposition precursors.","Physical chemistry chemical physics : PCCP","2023","25","12","8336","8340","10.1039/d2cp05341a","","","0.71073","MoKα","","0.1582","0.142","","","0.3059","0.313","","","","","","1.184","","","","has coordinates,has disorder","283510","2023-05-05","03:36:12",""
"7246430","6.6303","0.0004","7.8338","0.0005","7.9449","0.0005","117.137","0.002","93.126","0.002","111.674","0.002","328.63","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C4 H14 N16 O2 -","- C4 H14 N16 O2 -","- C4 H14 N16 O2 -","1","0.5","","Zhou, Jianxin; Li, Xinyi; Hou, Tianyang; Xu, Ze; Wang, Pengcheng; Lu, Ming; Xu, Yuangang","Improving the stability of hydrazinium pentazolate through cocrystallization","CrystEngComm","2023","25","14","2027","2031","10.1039/D2CE01707E","","","0.71073","MoKα","","0.0601","0.0498","","","0.1337","0.1419","","","","","","1.076","","","","has coordinates","282312","2023-04-04","10:07:32",""
"7246431","3.7348","0.001","11.013","0.003","5.7044","0.0014","90","","96.47","0.01","90","","233.14","0.11","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H4 N2 O2 -","- C4 H4 N2 O2 -","- C8 H8 N4 O4 -","2","0.5","","Zhou, Jianxin; Li, Xinyi; Hou, Tianyang; Xu, Ze; Wang, Pengcheng; Lu, Ming; Xu, Yuangang","Improving the stability of hydrazinium pentazolate through cocrystallization","CrystEngComm","2023","25","14","2027","2031","10.1039/D2CE01707E","","","0.71073","MoKα","","0.0529","0.039","","","0.0912","0.1011","","","","","","1.042","","","","has coordinates","282312","2023-04-04","10:07:42",""
"7246432","18.8216","0.0002","9.2134","0.0002","12.654","0.0004","90","","99.552","0.007","90","","2163.92","0.1","200","2","200","2","","","","","","","","6","P 1 c 1","P -2yc","7","","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium 4-chlorobenzene sulfonate","","- C23 H22 Cl N O4 S -","- C23 H22 Cl N O4 S -","- C92 H88 Cl4 N4 O16 S4 -","4","2","","Arul, Anand; Ramaclus, Jerald Vijay","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium 4-chlorobenzene sulphonate (MBMPCBS) – an efficient nonlinear optical crystal with superior thermal stability","CrystEngComm","2023","25","17","2534","2545","10.1039/D3CE00090G","","","0.71073","MoKα","","0.0726","0.0583","","","0.1462","0.1582","","","","","","1.043","","","","has coordinates,has disorder","283200","2023-05-05","01:19:20",""
"7246433","6.3116","0.0012","7.6593","0.0013","33.65","0.006","90","","91.663","0.006","90","","1626","0.5","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium Iodide","","- C17 H18 I N O -","- C17 H18 I N O -","- C68 H72 I4 N4 O4 -","4","1","","Arul, Anand; Ramaclus, Jerald Vijay","4-[4-(4-Methoxyphenyl)-1,3-butadienyl]-1-methylpyridinium 4-chlorobenzene sulphonate (MBMPCBS) – an efficient nonlinear optical crystal with superior thermal stability","CrystEngComm","2023","25","17","2534","2545","10.1039/D3CE00090G","","","0.71073","MoKα","","0.0417","0.0408","","","0.1191","0.1203","","","","","","1.176","","","","has coordinates","283200","2023-05-05","01:19:24",""
"7246434","7.285","0.0002","7.285","0.0002","19.7163","0.0005","90","","90","","90","","1046.37","0.05","301","2","301.61","","","","","","","","","4","P 42/n m c :2","-P 4ac 2a","137","","","","- Cl Ga Na2 S2 -","- Cl Ga Na2 S2 -","- Cl8 Ga8 Na16 S16 -","8","0.5","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0207","0.019","","","0.0491","0.052","","","","","","1.132","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246435","21.819","0.0004","8.334","0.0002","6.8616","0.0001","90","","100.673","0.001","90","","1226.13","0.04","299","2","299.61","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- Ga Na2 Se3 -","- Ga Na2 Se3 -","- Ga8 Na16 Se24 -","8","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0215","0.0172","","","0.0358","0.0384","","","","","","1.079","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246436","8.3169","0.0003","6.416","0.0002","20.7332","0.0007","90","","91.1838","0.0013","90","","1106.11","0.06","298.93","","298.93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- Ga2 Na4 Se5 -","- Ga2 Na4 Se5 -","- Ga8 Na16 Se20 -","4","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0171","0.014","","","0.0297","0.031","","","","","","1.102","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246437","7.5821","0.0002","7.5821","0.0002","20.4761","0.0005","90","","90","","90","","1177.13","0.05","299","2","299.08","","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- Cl0.91 Ga I0.09 Na2 Se2 -","- Cl0.9075 Ga I0.0925 Na2 Se2 -","- Cl7.26 Ga8 I0.74 Na16 Se16 -","8","0.5","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.031","0.0166","","","0.0344","0.046","","","","","","1.171","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246438","7.2885","0.0002","39.4434","0.001","7.2884","0.0002","90","","90","","90","","2095.29","0.1","300","2","300","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- Cl Ga Na2 S2 -","- Cl Ga Na2 S2 -","- Cl16 Ga16 Na32 S32 -","16","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0178","0.0134","","","0.0295","0.032","","","","","","1.078","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246439","7.597","0.002","41.001","0.011","7.583","0.002","90","","90","","90","","2362","1.1","300","2","299.85","","","","","","","","","5","C m c m","-C 2c 2","63","","","","- Cl0.91 Ga I0.09 Na2 Se2 -","- Cl0.9075 Ga I0.0925 Na2 Se2 -","- Cl14.52 Ga16 I1.48 Na32 Se32 -","16","1","","Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad","Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family","CrystEngComm","2023","25","15","2307","2312","10.1039/D3CE00074E","","","0.71073","MoKα","","0.0439","0.0402","","","0.1121","0.1173","","","","","","1.145","","","","has coordinates","283213","2023-05-05","01:26:33",""
"7246440","14.008","0.0008","8.2826","0.0004","7.2443","0.0004","90","","90","","90","","840.5","0.08","317.5","0.1","317.5","0.1","","","","","","","","2","P m c 21","P 2c -2","26","Acenaphthene","","","- C12 H10 -","- C12 H10 -","- C48 H40 -","4","1","","Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W.","Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond.","Physical chemistry chemical physics : PCCP","2023","25","16","11464","11476","10.1039/d2cp05613e","","","0.71073","MoKα","","0.0298","0.0255","","","0.0588","0.0611","","","","","","1.1296","","","","has coordinates","283503","2023-05-05","03:34:43",""
"7246441","13.8982","0.0004","8.2537","0.0003","7.154","0.0002","90","","90","","90","","820.65","0.04","200","0.1","200","0.1","","","","","","","","2","P m c 21","P 2c -2","26","Acenaphthene","","","- C12 H10 -","- C12 H10 -","- C48 H40 -","4","1","","Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W.","Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond.","Physical chemistry chemical physics : PCCP","2023","25","16","11464","11476","10.1039/d2cp05613e","","","0.71073","MoKα","","0.0293","0.0236","","","0.0482","0.0505","","","","","","1.1012","","","","has coordinates","283503","2023-05-05","03:34:43",""
"7246442","13.8073","0.0007","8.2291","0.0007","7.0858","0.0004","90","","90","","90","","805.1","0.09","95","0.2","95","0.2","","","","","","","","2","P m c 21","P 2c -2","26","Acenaphthene","","","- C12 H10 -","- C12 H10 -","- C48 H40 -","4","1","","Vishnevskiy, Yury V.; Otlyotov, Arseniy A.; Lamm, Jan-Hendrik; Stammler, Hans-Georg; Girichev, Georgiy V.; Mitzel, Norbert W.","Accurate single crystal and gas-phase molecular structures of acenaphthene: a starting point in the search for the longest C-C bond.","Physical chemistry chemical physics : PCCP","2023","25","16","11464","11476","10.1039/d2cp05613e","","","0.71073","MoKα","","0.0327","0.0259","","","0.0456","0.0475","","","","","","1.1889","","","","has coordinates","283503","2023-05-05","03:34:43",""
"7246446","6.6846","0.0002","7.0498","0.0002","15.0256","0.0004","97.105","0.002","94.771","0.002","109.331","0.003","657.18","0.04","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 N3 O4 Se -","- C13 H9 N3 O4 Se -","- C26 H18 N6 O8 Se2 -","2","1","","Lan, Honghong; Miao, Shaobin; Zhang, Yu; Wang, Weizhou","On the inverse correlation between the hydrogen bond strength and chalcogen bond strength in the cyclic supramolecular heterosynthon [–Se–N]⋯[HOOC–]","CrystEngComm","2023","25","14","2159","2164","10.1039/D3CE00100H","","x-ray","0.71073","MoKα","","0.0371","0.0308","","","0.0663","0.0684","","","","","","1.097","","","","has coordinates","282338","2023-04-04","10:18:00",""
"7246447","6.7936","0.0002","7.348","0.0003","14.7847","0.0005","76.886","0.003","76.865","0.003","69.4","0.004","663.98","0.04","290","","290","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H9 N3 O4 Se -","- C13 H9 N3 O4 Se -","- C26 H18 N6 O8 Se2 -","2","1","","Lan, Honghong; Miao, Shaobin; Zhang, Yu; Wang, Weizhou","On the inverse correlation between the hydrogen bond strength and chalcogen bond strength in the cyclic supramolecular heterosynthon [–Se–N]⋯[HOOC–]","CrystEngComm","2023","25","14","2159","2164","10.1039/D3CE00100H","","x-ray","0.71073","MoKα","","0.0537","0.0414","","","0.0932","0.098","","","","","","1.092","","","","has coordinates","282338","2023-04-04","10:18:00",""
"7246448","3.9284","0.0002","26.3154","0.0012","13.1324","0.0006","90","","91.977","0.004","90","","1356.79","0.11","291","","291","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H18 N6 O6 Se3 -","- C27 H18 N6 O6 Se3 -","- C54 H36 N12 O12 Se6 -","2","1","","Lan, Honghong; Miao, Shaobin; Zhang, Yu; Wang, Weizhou","On the inverse correlation between the hydrogen bond strength and chalcogen bond strength in the cyclic supramolecular heterosynthon [–Se–N]⋯[HOOC–]","CrystEngComm","2023","25","14","2159","2164","10.1039/D3CE00100H","","x-ray","0.71073","MoKα","","0.0936","0.066","","","0.102","0.1107","","","","","","1.059","","","","has coordinates","282338","2023-04-04","10:18:00",""
"7246449","11.5809","0.0004","11.2962","0.0005","15.112","0.0006","90","","104.191","0.001","90","","1916.63","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H10 Cd N6 O4 S2 -","- C18 H10 Cd N6 O4 S2 -","- C72 H40 Cd4 N24 O16 S8 -","4","1","","Yan, Xiao-Long; Cao, Xiao-Qin; Deng, Cheng-Rui; Zheng, Teng-Fei; Yao, Shu-Li; Liu, Sui-Jun","A highly stable and efficient benzothiadiazole-based fluorescence sensor for salicylaldehyde in aqueous solution","CrystEngComm","2023","25","16","2366","2371","10.1039/D3CE00130J","","","0.71073","MoKα","","0.0332","0.0259","","","0.059","0.0628","","","","","","1.09","","","","has coordinates","283205","2023-05-05","01:22:51",""
"7246450","10.825","0.005","18.151","0.008","9.211","0.004","90","","97.156","0.008","90","","1795.7","1.4","120","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 N4 -","- C44 H44 N4 -","- C88 H88 N8 -","2","0.5","","Habata, Yoichi; Wada, Ayumi; Lee, Eunji; Ju, Huieyong; Yoshiba, Yuki; Horita, Hiroki; Ishii, Jun-ichi; Ikeda, Mari; Kuwahara, Shunsuke","A molecular sponge that exclusively adsorbs acetonitrile","CrystEngComm","2023","25","16","2349","2352","10.1039/D3CE00169E","","","0.71073","MoKα","","0.2119","0.0755","","","0.1391","0.1969","","","","","","1.008","","","","has coordinates","283202","2023-05-05","01:20:25",""
"7246451","14.404","0.007","14.404","0.007","9.018","0.008","90","","90","","90","","1871","2","120","2","120","2","","","","","","","","3","P 4 n c","P 4 -2n","104","","","","- C46 H47 N5 -","- C46 H47 N5 -","- C92 H94 N10 -","2","0.25","","Habata, Yoichi; Wada, Ayumi; Lee, Eunji; Ju, Huieyong; Yoshiba, Yuki; Horita, Hiroki; Ishii, Jun-ichi; Ikeda, Mari; Kuwahara, Shunsuke","A molecular sponge that exclusively adsorbs acetonitrile","CrystEngComm","2023","25","16","2349","2352","10.1039/D3CE00169E","","","0.71073","MoKα","","0.1918","0.0786","","","0.1657","0.234","","","","","","1.072","","","","has coordinates","283202","2023-05-05","01:20:25",""
"7246452","4.9594","0.0001","10.7311","0.0001","27.2017","0.0003","90","","90","","90","","1447.67","0.04","294.15","","294.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S)-N-(3-(2-chlorophenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C13 H19 Cl2 N -","- C13 H19 Cl2 N -","- C52 H76 Cl8 N4 -","4","1","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","1.54184","CuKα","","0.0306","0.0297","","","0.0858","0.0867","","","","","","1.032","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246453","4.8988","0.0002","10.7881","0.0003","13.7759","0.0004","90","","98.02","0.003","90","","720.92","0.04","113.15","","113.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-N-(3-(2-bromo-3-fluorophenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C13 H18 Br Cl F N -","- C13 H18 Br Cl F N -","- C26 H36 Br2 Cl2 F2 N2 -","2","1","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","0.71073","MoKα","","0.0615","0.0589","","","0.15","0.1517","","","","","","1.122","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246454","4.9604","0.0002","10.8195","0.0004","29.3754","0.001","90","","90","","90","","1576.55","0.1","113.15","","113.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(S)-N-(3-(2-bromo-3-methylphenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C14 H21 Br Cl N -","- C14 H21 Br Cl N -","- C56 H84 Br4 Cl4 N4 -","4","1","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","0.71073","MoKα","","0.0375","0.035","","","0.0842","0.0855","","","","","","1.088","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246455","9.5543","0.0002","6.5919","0.0002","12.4634","0.0003","90","","98.424","0.002","90","","776.49","0.03","113.15","","113.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-N-(3-(2-bromo-4-methylphenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C14 H21 Br Cl N -","- C14 H21 Br Cl N -","- C28 H42 Br2 Cl2 N2 -","2","1","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","0.71073","MoKα","","0.0495","0.038","","","0.082","0.0866","","","","","","1.029","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246456","7.6197","0.0002","14.1232","0.0003","27.1001","0.0007","90","","90","","90","","2916.36","0.12","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-N-(3-(2-bromo-4-fluorophenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C13 H18 Br Cl F N -","- C13 H18 Br Cl F N -","- C104 H144 Br8 Cl8 F8 N8 -","8","2","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","0.71073","MoKα","","0.0529","0.0427","","","0.0909","0.0959","","","","","","0.997","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246457","4.8335","0.0001","26.095","0.0006","11.3444","0.0003","90","","90.954","0.002","90","","1430.67","0.06","113","2","113.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","(S)-N-(3-(2-bromo-5-fluorophenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C13 H18 Br Cl F N -","- C13 H18 Br Cl F N -","- C52 H72 Br4 Cl4 F4 N4 -","4","2","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","0.71073","MoKα","","0.0531","0.0491","","","0.1436","0.1472","","","","","","1.018","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246458","4.7559","0.0002","10.6799","0.0004","28.6366","0.0009","90","","90","","90","","1454.53","0.09","113.15","","113.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","(S)-N-(3-(2-bromo-6-fluorophenyl)-2-methylpropyl)prop-2-en-1-amine hydrochloride","","- C13 H18 Br Cl F N -","- C13 H18 Br Cl F N -","- C52 H72 Br4 Cl4 F4 N4 -","4","1","","Xu, Zefei; Feng, Jinhui; Yao, Peiyuan; Wu, Qiaqing; Zhu, Dunming","Chemo-enzymatic synthesis of chiral 3-substituted tetrahydroquinolines by a sequential biocatalytic cascade and Buchwald–Hartwig cyclization","Green Chemistry","2023","25","12","4667","4673","10.1039/D3GC00047H","","x-ray","0.71073","MoKα","","0.0467","0.0394","","","0.0842","0.0879","","","","","","1.06","","","","has coordinates","286153","2023-09-05","19:59:18",""
"7246466","11.09","0.0005","19.997","0.001","14.7492","0.0007","90","","128.282","0.001","90","","2567.5","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H52 B4 Gd N -","- C16 H52 B4 Gd N -","- C64 H208 B16 Gd4 N4 -","4","1","","Magott, Michał; Wegner, Wojciech","Approaching the free-ion limit in magnetically isotropic gadolinium(III) <i>via</i> borohydride ligands.","Physical chemistry chemical physics : PCCP","2023","25","15","10689","10696","10.1039/d3cp01047c","","","0.71073","MoKα","","0.0444","0.0386","","","0.0612","0.0625","","","","","","1.32","","","","has coordinates","283507","2023-05-05","03:35:38",""
"7246467","7.7196","0.0005","11.7045","0.0007","9.4241","0.0006","90","","108.98","0.002","90","","805.21","0.09","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","Salt 7 (293 K)","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C34 H40 N4 O8 -","2","1","","Angevine, Devin J.; Mitchell, Travis; Zhang, Xiaotong; Benedict, Jason B.","Unusual single crystal to single crystal phase transition of a nicotine salt monitored using temperature dependent single crystal X-ray diffraction","CrystEngComm","2023","25","15","2181","2184","10.1039/D3CE00042G","","","0.71073","MoKα","","0.0569","0.0405","","","0.1007","0.1107","","","","","","1.045","","","","has coordinates","283216","2023-05-05","01:27:32",""
"7246468","9.9691","0.0004","11.552","0.0004","13.8196","0.0005","90","","101.995","0.001","90","","1556.76","0.1","90","","90","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H20 N2 O4 -","- C17 H20 N2 O4 -","- C68 H80 N8 O16 -","4","2","","Angevine, Devin J.; Mitchell, Travis; Zhang, Xiaotong; Benedict, Jason B.","Unusual single crystal to single crystal phase transition of a nicotine salt monitored using temperature dependent single crystal X-ray diffraction","CrystEngComm","2023","25","15","2181","2184","10.1039/D3CE00042G","","","0.71073","MoKα","","0.0379","0.0335","","","0.0844","0.0874","","","","","","1.033","","","","has coordinates","283216","2023-05-05","01:27:32",""
"7246469","6.721","0.0003","19.9988","0.0011","32.6212","0.0019","90","","90","","90","","4384.7","0.4","100","2","100","2","","","","","","","","4","F d d d :2","-F 2uv 2vw","70","","","","- C10 H11 I N2 -","- C10 H11 I N2 -","- C160 H176 I16 N32 -","16","0.5","","Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang","Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives.","Physical chemistry chemical physics : PCCP","2023","25","15","10599","10603","10.1039/d3cp00123g","","x-ray","0.71073","MoKα","","0.1133","0.0965","","","0.2711","0.2879","","","","","","1.138","","","","has coordinates,has disorder","283508","2023-05-05","03:35:54",""
"7246470","15.3346","0.0006","15.1704","0.0006","10.1934","0.0005","90","","91.8457","0.0016","90","","2370.08","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15.25 Br N2 O0.12 -","- C12 H15.25 Br N2 O0.125 -","- C96 H122 Br8 N16 O -","8","2","","Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang","Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives.","Physical chemistry chemical physics : PCCP","2023","25","15","10599","10603","10.1039/d3cp00123g","","x-ray","0.71073","MoKα","","0.0932","0.0467","","","0.089","0.1067","","","","","","1.016","","","","has coordinates","283508","2023-05-05","03:35:54",""
"7246471","10.3872","0.0003","10.3872","0.0003","13.2209","0.0006","90","","90","","90","","1426.45","0.09","100","2","100","2","","","","","","","","4","I 4/m m m","-I 4 2","139","","","","- C5 H5 I N2 -","- C5 H7 I N2 -","- C40 H56 I8 N16 -","8","0.25","","Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang","Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives.","Physical chemistry chemical physics : PCCP","2023","25","15","10599","10603","10.1039/d3cp00123g","","x-ray","0.71073","MoKα","","0.0565","0.0359","","","0.0861","0.0942","","","","","","1.021","","","","has coordinates,has disorder","283508","2023-05-05","03:35:54",""
"7246472","7.0916","0.0002","7.0916","0.0002","31.4164","0.0013","90","","90","","120","","1368.28","0.08","100","2","100","2","","","","","","","","4","P 61","P 61","169","","","","- C5 H7 I2 N3 -","- C5 H7 I2 N3 -","- C30 H42 I12 N18 -","6","1","","Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang","Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives.","Physical chemistry chemical physics : PCCP","2023","25","15","10599","10603","10.1039/d3cp00123g","","x-ray","0.71073","MoKα","","0.0717","0.0397","","","0.0623","0.0682","","","","","","1.033","","","","has coordinates","283508","2023-05-05","03:35:54",""
"7246473","8.2027","0.0003","13.5124","0.0004","14.3668","0.0005","90","","90","","90","","1592.39","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 I3 N2 O2 -","- C12 H13 I3 N2 O2 -","- C48 H52 I12 N8 O8 -","4","1","","Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang","Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives.","Physical chemistry chemical physics : PCCP","2023","25","15","10599","10603","10.1039/d3cp00123g","","x-ray","0.71073","MoKα","","0.0709","0.039","","","0.05","0.0557","","","","","","0.994","","","","has coordinates","283508","2023-05-05","03:35:54",""
"7246474","7.3757","0.0006","19.8901","0.0017","8.6493","0.0007","90","","114.402","0.003","90","","1155.53","0.17","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H13 I N2 O -","- C10 H13 I N2 O -","- C40 H52 I4 N8 O4 -","4","1","","Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang","Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives.","Physical chemistry chemical physics : PCCP","2023","25","15","10599","10603","10.1039/d3cp00123g","","x-ray","0.71073","MoKα","","0.0611","0.0323","","","0.063","0.0727","","","","","","1.048","","","","has coordinates","283508","2023-05-05","03:35:54",""
"7246475","6.9824","0.0009","15.4554","0.0019","7.8105","0.0011","90","","91.042","0.007","90","","842.74","0.19","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 I N S -","- C6 H8 I N S -","- C24 H32 I4 N4 S4 -","4","1","","Chanmungkalakul, Supphachok; Huang, Shiqing; Wu, Xia; Ang, Esther Cai Xia; Yang, Zi-Qi; Li, Yongxin; Yan, Xiaoyu; Tan, Choon-Hong; Tan, Davin; Liu, Xiaogang","Ground-state intramolecular proton transfer inhibits the selective methylation on quinoline and pyridine derivatives.","Physical chemistry chemical physics : PCCP","2023","25","15","10599","10603","10.1039/d3cp00123g","","x-ray","0.71073","MoKα","","0.1","0.0415","","","0.0581","0.0693","","","","","","0.978","","","","has coordinates","283508","2023-05-05","03:35:54",""
"7246477","6.6375","0.0011","8.1893","0.0014","8.426","0.0013","69.401","0.015","88.117","0.013","73.592","0.015","410.14","0.13","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","1","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.0497","0.039","","","0.0844","0.091","","","","","","1.058","","","","has coordinates","283208","2023-05-05","01:24:01",""
"7246478","8.4631","0.0004","13.1568","0.0006","14.6722","0.0005","90","","91.403","0.004","90","","1633.22","0.12","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C40 H24 Br8 Cl8 Cu4 I8 N8 -","4","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.0454","0.0324","","","0.0576","0.0639","","","","","","1.013","","","","has coordinates","283208","2023-05-05","01:24:03",""
"7246479","6.5889","0.0019","8.4455","0.001","14.91","0.007","90","","99.21","0.04","90","","819","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Cl4 Cu I2 N2 -","- C10 H6 Cl4 Cu I2 N2 -","- C20 H12 Cl8 Cu2 I4 N4 -","2","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.0489","0.0324","","","0.0557","0.0652","","","","","","1.035","","","","has coordinates","283208","2023-05-05","01:24:12",""
"7246480","6.5931","0.0003","8.549","0.0004","15.1333","0.0009","90","","98.729","0.005","90","","843.1","0.08","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C20 H12 Br4 Cl4 Cu2 I4 N4 -","2","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","","0.71073","MoKα","","0.051","0.0356","","","0.0671","0.0745","","","","","","1.024","","","","has coordinates","283208","2023-05-05","01:24:17",""
"7246481","10.8035","0.0008","14.9629","0.0005","6.608","0.0005","90","","128.8","0.011","90","","832.48","0.16","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C10 H6 Br2 Cl2 Cu I2 N2 -","- C20 H12 Br4 Cl4 Cu2 I4 N4 -","2","0.5","","Awwadi, Firas F.; Alwahsh, Manal I.; Turnbull, Mark M.; Landee, Christopher P.","Halogen bond and polymorphism in trans-bis(2-iodo-5-halopyridine)dihalocopper(ii) complexes: crystallographic, theoretical and magnetic studies","CrystEngComm","2023","25","16","2390","2403","10.1039/D2CE01711C","","x-ray","0.71073","MoKα","","0.0559","0.0384","","","0.0721","0.0821","","","","","","1.046","","","","has coordinates","283208","2023-05-05","01:24:19",""
"7246482","7.6844","0.0015","8.4799","0.0012","9.8498","0.0014","67.682","0.014","82.043","0.014","87.656","0.014","588","0.18","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 O8 Zn -","- C10 H13 O8 Zn -","- C20 H26 O16 Zn2 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.1095","0.0693","","","0.1633","0.1912","","","","","","1.04","","","","has coordinates","284263","2023-06-05","04:24:30",""
"7246483","8.1304","0.0007","8.2667","0.001","10.0751","0.0007","80.531","0.008","70.026","0.007","83.552","0.008","626.61","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H13 Mn N0 O8 -","- C10 H13 Mn O8 -","- C20 H26 Mn2 O16 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.0892","0.0807","","","0.2211","0.2389","","","","","","1.089","","","","has coordinates","284263","2023-06-05","04:24:31",""
"7246484","7.8186","0.0019","8.4237","0.0014","9.8767","0.0017","68.312","0.016","81.997","0.018","87.309","0.016","598.6","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H13 Co O8 -","- C10 H13 Co O8 -","- C20 H26 Co2 O16 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.11","0.0696","","","0.169","0.1955","","","","","","0.962","","","","has coordinates","284263","2023-06-05","04:24:31",""
"7246485","7.6366","0.0015","8.604","0.0013","10.0667","0.0016","113.496","0.015","90.956","0.015","90.157","0.014","606.48","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C11.5 H14 Co O7 -","- C11.52 H13.5 Co O7 -","- C23.04 H27 Co2 O14 -","2","1","","Zou, Huiqi; Li, Rongyun; Ding, Li; Lu, Jing; Tian, Haiquan; Yan, Hui; Liu, Houting; Wang, Suna; Li, Yunwu","Three isostructural MOFs based on different metal cations: proton conductivities and SC–SC transformation leading to magnetic changes","CrystEngComm","2023","25","18","2755","2766","10.1039/D3CE00046J","","","1.54184","CuKα","","0.1165","0.0661","","","0.1605","0.2003","","","","","","0.909","","","","has coordinates","284263","2023-06-05","04:24:31",""
"7246486","11.62224","0.00009","14.66776","0.00011","21.05256","0.00016","100.659","0.0006","91.6602","0.0006","109.986","0.0007","3297.98","0.05","223","","223","","","","","","","","","5","P -1","-P 1","2","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C42 H32 N4 O2 S -","- C42 H32 N4 O2 S -","- C168 H128 N16 O8 S4 -","4","2","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.0533","0.0491","","","0.1362","0.14","","","","","","1.065","","","","has coordinates","283206","2023-05-05","01:23:15",""
"7246487","27.8666","0.0004","10.4156","0.0001","23.2099","0.0004","90","","108.11","0.002","90","","6402.89","0.17","223.15","","223.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C41 H30 N4 O2 S -","- C41 H30 N4 O2 S -","- C328 H240 N32 O16 S8 -","8","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.057","0.0533","","","0.1488","0.1521","","","","","","1.071","","","","has coordinates,has disorder","283206","2023-05-05","01:23:18",""
"7246488","13.6322","0.0002","22.3975","0.0003","10.7806","0.00019","90","","111.601","0.002","90","","3060.44","0.09","223","","223","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C36 H25 Cl3 N4 O2 S -","- C36 H25 Cl3 N4 O2 S -","- C144 H100 Cl12 N16 O8 S4 -","4","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.047","0.0436","","","0.1219","0.1252","","","","","","1.066","","","","has coordinates","283206","2023-05-05","01:23:20",""
"7246489","13.2848","0.0002","21.9654","0.0003","10.92692","0.00017","90","","111.87","0.0018","90","","2959.06","0.08","223","","223","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C35 H24 N4 O2 S -","- C35 H24 N4 O2 S -","- C140 H96 N16 O8 S4 -","4","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.0458","0.0425","","","0.1081","0.1106","","","","","","1.057","","","","has coordinates","283206","2023-05-05","01:23:29",""
"7246490","27.6505","0.0002","10.34767","0.00008","23.2526","0.0002","90","","108.491","0.001","90","","6309.54","0.09","223","","223","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C40 H29 N5 O2 S -","- C40 H29 N5 O2 S -","- C320 H232 N40 O16 S8 -","8","1","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.0449","0.0425","","","0.1126","0.1145","","","","","","1.052","","","","has coordinates","283206","2023-05-05","01:23:30",""
"7246491","12.20306","0.00009","21.16656","0.00017","22.98109","0.00018","69.0121","0.0007","87.5755","0.0006","87.6112","0.0006","5534.93","0.08","223","","223","","","","","","","","","5","P -1","-P 1","2","","4-(4-methoxyphenyl)-7-[1-(4-methoxyphenyl)-1H-phenanthro[9,10-d]imidazol-2-yl]benzo[c][1,2,5]thiadiazole","","- C35 H24 N4 O2 S -","- C35 H24 N4 O2 S -","- C280 H192 N32 O16 S8 -","8","4","","Yagi, Takumi; Tachikawa, Takashi; Ito, Suguru","Solvates of a dianisyl-substituted donor–acceptor-type benzothiadiazole: mechanochromic, vapochromic, and acid-responsive multicolor luminescence","CrystEngComm","2023","25","16","2379","2389","10.1039/D2CE01705A","","","1.54184","CuKα","","0.067","0.0608","","","0.1731","0.1783","","","","","","1.037","","","","has coordinates","283206","2023-05-05","01:23:30",""
"7246492","21.9765","0.0004","21.9765","0.0004","114.166","0.002","90","","90","","120","","47751.2","1.5","213","","213","","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","DPPMA/MTBPS","","- C162 H165 N25 O18 S4 -","- C117 H95.9997 N16 O12 S4 -","- C1404 H1152 N192 O144 S48 -","12","0.333333","","Ami, Takahiro; Oka, Kouki; Tsuchiya, Keiho; Kosaka, Wataru; Miyasaka, Hitoshi; Tohnai, Norimitsu","The introduction of a base component to porous organic salts and their CO2 storage capability","CrystEngComm","2023","25","15","2321","2325","10.1039/D3CE00086A","","","1.54184","CuKα","","0.1275","0.1015","","","0.3298","0.3624","","","","","","1.251","","","","has coordinates,has disorder","283217","2023-05-05","01:27:53",""
"7246493","8.6581","0.0015","12.1447","0.0018","22.107","0.003","90","","90","","90","","2324.6","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N O2 -","- C14 H13 N O2 -","- C112 H104 N8 O16 -","8","1","","Xu, Feng; Li, Zao; Zhang, Li-Long; Liu, Shengqi; Li, Hu; Liao, Yuhe; Yang, Song","Synthesis of renewable isoindolines from bio-based furfurals","Green Chemistry","2023","25","8","3297","3305","10.1039/D2GC04786A","","","1.54178","CuKα","","0.1112","0.0577","","","0.1195","0.1568","","","","","","1","","","","has coordinates","283360","2023-05-05","02:47:40",""
"7246494","13.6538","0.0011","9.0781","0.0008","10.6852","0.0009","90","","108.522","0.004","90","","1255.83","0.19","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 Cl N O2 -","- C14 H12 Cl N O2 -","- C56 H48 Cl4 N4 O8 -","4","1","","Xu, Feng; Li, Zao; Zhang, Li-Long; Liu, Shengqi; Li, Hu; Liao, Yuhe; Yang, Song","Synthesis of renewable isoindolines from bio-based furfurals","Green Chemistry","2023","25","8","3297","3305","10.1039/D2GC04786A","","","0.71073","MoKα","","0.0832","0.0481","","","0.0946","0.1024","","","","","","1.079","","","","has coordinates","283360","2023-05-05","02:47:40",""
"7246495","5.9303","0.0007","7.6388","0.0009","23.149","0.003","90","","94.506","0.003","90","","1045.4","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H11 N O -","- C14 H11 N O -","- C56 H44 N4 O4 -","4","1","","Xu, Feng; Li, Zao; Zhang, Li-Long; Liu, Shengqi; Li, Hu; Liao, Yuhe; Yang, Song","Synthesis of renewable isoindolines from bio-based furfurals","Green Chemistry","2023","25","8","3297","3305","10.1039/D2GC04786A","","","1.54178","CuKα","","0.1104","0.0905","","","0.234","0.2474","","","","","","1.395","","","","has coordinates","283360","2023-05-05","02:47:40",""
"7246496","5.4795","0.0004","11.4206","0.0009","19.3592","0.0016","90","","90","","90","","1211.48","0.16","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 Br N O2 -","- C14 H12 Br N O2 -","- C56 H48 Br4 N4 O8 -","4","1","","Xu, Feng; Li, Zao; Zhang, Li-Long; Liu, Shengqi; Li, Hu; Liao, Yuhe; Yang, Song","Synthesis of renewable isoindolines from bio-based furfurals","Green Chemistry","2023","25","8","3297","3305","10.1039/D2GC04786A","","","0.71073","MoKα","","0.0543","0.0413","","","0.0881","0.0922","","","","","","1.013","","","","has coordinates","283360","2023-05-05","02:47:40",""
"7246497","10.7651","0.0005","4.8762","0.0002","13.0778","0.0005","90","","106.91","0.005","90","","656.81","0.05","120.01","0.1","120.01","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Cl N3 O S -","- C14 H12 Cl N3 O S -","- C28 H24 Cl2 N6 O2 S2 -","2","1","","Hommelsheim, Renè; Bausch, Sandra; van Nahl, Robin; Ward, Jas S.; Rissanen, Kari; Bolm, Carsten","Synthesis of 3-amino-substituted benzothiadiazine oxides by a palladium-catalysed cascade reaction","Green Chemistry","2023","25","8","3021","3026","10.1039/D3GC00442B","","x-ray","1.54184","CuKα","","0.0473","0.0431","","","0.1078","0.1119","","","","","","1.028","","","","has coordinates","283362","2023-05-05","02:48:05",""
"7246500","8.1014","0.0011","11.2699","0.0015","15.485","0.002","90.087","0.005","99.656","0.005","101.285","0.005","1366","0.3","150","2","150.53","","","","","","","","","6","P -1","-P 1","2","","","","- C28 H33 Cl F N4 O6 -","- C28 H32 Cl F N4 O6 -","- C56 H64 Cl2 F2 N8 O12 -","2","1","","Shaik, Althaf; Bhagwat, Pranav Umesh; Palanisamy, Parimaladevi; Chhabria, Dimple; Dubey, Pankaj; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Novel pharmaceutical co-crystals of gefitinib: synthesis, dissolution, cytotoxicity, and theoretical studies","CrystEngComm","2023","25","17","2570","2581","10.1039/D3CE00056G","","","0.71073","MoKα","","0.0647","0.0439","","","0.0973","0.1069","","","","","","1.03","","","","has coordinates","283198","2023-05-05","01:18:59",""
"7246501","10.93","0.002","7.2541","0.0014","35.222","0.006","90","","93.749","0.007","90","","2786.7","0.9","150","2","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H66 Cl2 F2 N8 O12 -","- C56 H66 Cl2 F2 N8 O12 -","- C112 H132 Cl4 F4 N16 O24 -","2","0.5","","Shaik, Althaf; Bhagwat, Pranav Umesh; Palanisamy, Parimaladevi; Chhabria, Dimple; Dubey, Pankaj; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Novel pharmaceutical co-crystals of gefitinib: synthesis, dissolution, cytotoxicity, and theoretical studies","CrystEngComm","2023","25","17","2570","2581","10.1039/D3CE00056G","","","0.71073","MoKα","","0.1306","0.0716","","","0.1863","0.2222","","","","","","1.069","","","","has coordinates","283198","2023-05-05","01:18:59",""
"7246502","12.1642","0.0018","7.4425","0.0011","31.958","0.005","90","","95.245","0.006","90","","2881.1","0.8","150","2","149.97","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 Cl F N4 O5 -","- C31 H32 Cl F N4 O5 -","- C124 H128 Cl4 F4 N16 O20 -","4","1","","Shaik, Althaf; Bhagwat, Pranav Umesh; Palanisamy, Parimaladevi; Chhabria, Dimple; Dubey, Pankaj; Kirubakaran, Sivapriya; Thiruvenkatam, Vijay","Novel pharmaceutical co-crystals of gefitinib: synthesis, dissolution, cytotoxicity, and theoretical studies","CrystEngComm","2023","25","17","2570","2581","10.1039/D3CE00056G","","","0.71073","MoKα","","0.0615","0.0438","","","0.135","0.1509","","","","","","1.024","","","","has coordinates","283198","2023-05-05","01:18:59",""
"7246504","6.5339","0.0003","7.1569","0.0003","37.6943","0.0015","90","","90","","90","","1762.68","0.13","100","2","100","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","0.71073","MoKα","","0.0547","0.0428","","","0.1051","0.1168","","","","","","1.083","","","","has coordinates","283212","2023-05-05","01:26:01",""
"7246505","6.5274","0.0003","7.2009","0.0003","37.7553","0.0016","90","","90","","90","","1774.62","0.13","150","2","150","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","1","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","1.54178","CuKα","","0.0281","0.0278","","","0.078","0.0783","","","","","","1.064","","","","has coordinates","283212","2023-05-05","01:26:03",""
"7246506","6.5322","0.0015","7.3486","0.0017","37.987","0.009","91.159","0.003","93.956","0.003","90.147","0.004","1818.7","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","2","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","0.71073","MoKα","","0.1554","0.0699","","","0.1589","0.1995","","","","","","0.92","","","","has coordinates","283212","2023-05-05","01:26:07",""
"7246507","6.541","0.0002","7.1465","0.0002","37.8014","0.001","91.082","0.0012","94.097","0.0012","90.1522","0.0013","1762.19","0.09","100","2","100","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H19 F N2 O -","- C22 H19 F N2 O -","- C88 H76 F4 N8 O4 -","4","2","","Bhoday, Harmeet; Kelley, Steven P.; Glaser, Rainer","Polar and non-polar stacking of perfectly aligned parallel beloamphiphile monolayers (PBAMs) of (PhO, F)-azine. The interplay of non-covalent interlayer interactions and unit cell polarity","CrystEngComm","2023","25","15","2175","2180","10.1039/D3CE00021D","","","1.54178","CuKα","","0.0651","0.0579","","","0.1607","0.1644","","","","","","1.197","","","","has coordinates","283212","2023-05-05","01:26:11",""
"7246508","7.8959","0.0007","9.112","0.0007","13.1382","0.0011","93.469","0.005","94.076","0.004","101.046","0.004","922.74","0.13","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H23 N2 Ni0.5 O7 -","- C18 H23 N2 Ni0.5 O7 -","- C36 H46 N4 Ni O14 -","2","1","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","0.71073","MoKα","","0.0746","0.0571","","","0.1387","0.1465","","","","","","1.074","","","","has coordinates,has disorder","283207","2023-05-05","01:23:46",""
"7246509","34.338","0.002","34.338","0.002","12.6009","0.0011","90","","90","","120","","12867.1","1.5","173","2","173","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C26 H21.06 N4 Ni0.5 O3 -","- C26 H21 N4 Ni0.5 O3 -","- C468 H378 N72 Ni9 O54 -","18","1","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","1.54184","CuKα","","0.0945","0.067","","","0.1924","0.2197","","","","","","1.056","","","","has coordinates,has disorder","283207","2023-05-05","01:23:47",""
"7246510","10.804","0.001","18.8611","0.0014","16.7162","0.0014","90","","99.623","0.003","90","","3358.4","0.5","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H40 N4 Ni O9 -","- C34 H40 N4 Ni O9 -","- C136 H160 N16 Ni4 O36 -","4","1","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","0.71073","MoKα","","0.0653","0.0524","","","0.1117","0.117","","","","","","1.069","","","","has coordinates","283207","2023-05-05","01:23:47",""
"7246511","20.668","0.0018","5.9629","0.0005","23.892","0.002","90","","103.289","0.003","90","","2865.6","0.4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H26 N4 Ni O8 -","- C28 H23.9998 N4 Ni O8 -","- C112 H95.9992 N16 Ni4 O32 -","4","0.5","","Carballo, Rosa; Lago, Ana Belén; Vázquez-Toirán, María; Estévez, Laura; Vázquez-López, Ezequiel M.","Square-planar and octahedral nickel complexes of an acylhydrazone ligand and the serendipitous isolation of a potential octahedral nickel acylhydrazone precursor","CrystEngComm","2023","25","16","2463","2472","10.1039/D3CE00160A","","","0.71073","MoKα","","0.0735","0.0556","","","0.1314","0.1414","","","","","","1.039","","","","has coordinates,has disorder","283207","2023-05-05","01:23:47",""
"7246512","9.6562","0.0001","11.6905","0.0001","35.064","0.0004","91.265","0.001","93.965","0.001","93.603","0.001","3939.56","0.07","150","0.1","150","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 N5 O25 Sm2 -","- C79 H85 N5 O25 Sm2 -","- C158 H170 N10 O50 Sm4 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","x-ray","0.71073","MoKα","","0.0282","0.0229","","","0.0503","0.0524","","","","","","1.037","","","","has coordinates,has disorder","283204","2023-05-05","01:22:41",""
"7246513","9.6431","0.0001","11.6693","0.0001","34.9873","0.0004","91.212","0.001","93.949","0.001","93.586","0.001","3918.74","0.07","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 Eu2 N5 O25 -","- C79 H85 Eu2 N5 O25 -","- C158 H170 Eu4 N10 O50 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","x-ray","0.71073","MoKα","","0.0479","0.032","","","0.0666","0.0717","","","","","","1.03","","","","has coordinates,has disorder","283204","2023-05-05","01:22:41",""
"7246514","9.6431","0.0007","11.6865","0.0009","34.943","0.003","90.941","0.003","94.27","0.003","93.617","0.004","3918.2","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C76 H78 Gd2 N4 O24 -","- C76 H78 Gd2 N4 O24 -","- C152 H156 Gd4 N8 O48 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.058","0.0509","","","0.1354","0.1412","","","","","","1.084","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246515","9.6298","0.0001","11.6484","0.0001","35.049","0.0004","91.288","0.001","94.152","0.001","93.793","0.001","3911.13","0.07","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 N5 O25 Tb2 -","- C79 H85 N5 O25 Tb2 -","- C158 H170 N10 O50 Tb4 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","x-ray","0.71073","MoKα","","0.0383","0.0281","","","0.0607","0.0642","","","","","","1.04","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246516","9.7244","0.0006","13.8269","0.0008","22.6816","0.0014","83.161","0.004","79.17","0.004","84.514","0.004","2965.7","0.3","150","","150.01","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 Gd2 N2 O17 -","- C54 H50 Gd2 N2 O17 -","- C108 H100 Gd4 N4 O34 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0699","0.0554","","","0.1464","0.1564","","","","","","1.045","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246517","9.8235","0.0006","13.8714","0.0009","22.4913","0.0015","83.593","0.003","78.224","0.003","84.961","0.004","2974.9","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 Ho2 N4 O19 -","- C60 H64 Ho2 N4 O19 -","- C120 H128 Ho4 N8 O38 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0657","0.0552","","","0.1269","0.1344","","","","","","1.049","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246518","9.6965","0.0006","13.7603","0.0009","22.5832","0.0014","83.287","0.002","78.791","0.002","84.572","0.002","2927.5","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C54 H50 Er2 N2 O17 -","- C54 H50 Er2 N2 O17 -","- C108 H100 Er4 N4 O34 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0445","0.0414","","","0.1098","0.1132","","","","","","1.084","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246519","9.6157","0.0009","11.653","0.0011","34.944","0.003","91.143","0.003","94.27","0.003","93.785","0.004","3894.9","0.6","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C79 H85 Ho2 N5 O25 -","- C79 H85 Ho2 N5 O25 -","- C158 H170 Ho4 N10 O50 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.043","0.0391","","","0.0991","0.102","","","","","","1.044","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246520","9.8353","0.001","13.8578","0.0013","22.505","0.002","83.589","0.004","78.689","0.004","84.942","0.004","2982","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 N4 O19 Tb2 -","- C60 H64 N4 O19 Tb2 -","- C120 H128 N8 O38 Tb4 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0758","0.0698","","","0.2064","0.2158","","","","","","1.222","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246521","9.8652","0.0007","13.8653","0.001","22.5242","0.0016","83.601","0.004","78.971","0.004","85.08","0.004","2998.6","0.4","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C60 H64 Eu2 N4 O19 -","- C60 H64 Eu2 N4 O19 -","- C120 H128 Eu4 N8 O38 -","2","1","","Hunter, Lucy R.; Karlsson, Joshua K. G.; Sellars, Jonathan D.; Probert, Michael R.","(Z)-4,4′-Stilbene dicarboxylic acid, the overlooked metal–organic framework linker","CrystEngComm","2023","25","16","2353","2358","10.1039/D3CE00138E","","","1.54178","CuKα","","0.0658","0.0565","","","0.1396","0.1449","","","","","","1.108","","","","has coordinates","283204","2023-05-05","01:22:41",""
"7246522","4.881","0.0002","36.8398","0.0013","8.6324","0.0003","90","","104.518","0.004","90","","1502.67","0.1","113.15","","113.15","","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C16 H11 F6 N O2 -","- C16 H11 F6 N O2 -","- C64 H44 F24 N4 O8 -","4","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.0768","0.0605","","","0.1584","0.1772","","","","","","1.073","","","","has coordinates","283201","2023-05-05","01:19:38",""
"7246523","6.2342","0.0008","14.8463","0.0018","18.019","0.002","90","","90","","90","","1667.7","0.3","294.15","","294.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 F6 N2 O -","- C17 H14 F6 N2 O -","- C68 H56 F24 N8 O4 -","4","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.1338","0.0742","","","0.1735","0.2074","","","","","","1.041","","","","has coordinates,has disorder","283201","2023-05-05","01:19:49",""
"7246524","4.9857","0.0008","10.6861","0.0012","16.2064","0.0017","78.81","0.009","83.66","0.011","88.872","0.011","841.84","0.19","294.15","","294.15","","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 F6 N2 O -","- C17 H14 F6 N2 O -","- C34 H28 F12 N4 O2 -","2","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.1663","0.0764","","","0.1901","0.2494","","","","","","1.025","","","","has coordinates,has disorder","283201","2023-05-05","01:20:02",""
"7246525","7.4706","0.0006","30.0542","0.0015","7.4459","0.0007","90","","117.037","0.012","90","","1489.1","0.3","113.15","","113.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F6 N O2 -","- C16 H11 F6 N O2 -","- C64 H44 F24 N4 O8 -","4","1","","Zhao, Hongtu; Zhang, Xiunan; Chen, Kui; Wu, Wenbo; Li, Shuyu; Wang, Ting; Huang, Xin; Wang, Na; Zhou, Lina; Hao, Hongxun","Mechanistic study on the structure–property relationship of flexible organic crystals","CrystEngComm","2023","25","17","2600","2606","10.1039/D3CE00108C","","x-ray","0.71073","MoKα","","0.0784","0.0542","","","0.1297","0.1492","","","","","","1.048","","","","has coordinates","283201","2023-05-05","01:20:13",""
"7246526","7.9676","0.0007","8.5676","0.0007","9.6639","0.0008","90","","105.119","0.005","90","","636.85","0.09","176","2","176","2","","","","","","","","4","P 1 21 1","P 2yb","4","Phthalonitrile","","","- C10 H4 Br4 N2 -","- C10 H4 Br4 N2 -","- C20 H8 Br8 N4 -","2","1","","Dedeoglu, Burcu; Gürek, Ayşe Gül; Zorlu, Yunus; Ayhan, Mehmet Menaf","Engineering supramolecular helical assemblies <i>via</i> interplay between carbon(sp) tetrel and halogen bonding interactions.","Physical chemistry chemical physics : PCCP","2023","25","16","11493","11500","10.1039/d3cp00134b","","","0.71073","MoKα","","0.0513","0.0407","","","0.097","0.1011","","","","","","1.055","","","","has coordinates","283502","2023-05-05","03:33:41",""
"7246527","6.2037","0.0007","6.6476","0.0008","15.677","0.002","90","","95.856","0.009","90","","643.14","0.13","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","organic compound","","","- C10 H4 Br4 N2 -","- C10 H4 Br4 N2 -","- C20 H8 Br8 N4 -","2","0.5","","Dedeoglu, Burcu; Gürek, Ayşe Gül; Zorlu, Yunus; Ayhan, Mehmet Menaf","Engineering supramolecular helical assemblies <i>via</i> interplay between carbon(sp) tetrel and halogen bonding interactions.","Physical chemistry chemical physics : PCCP","2023","25","16","11493","11500","10.1039/d3cp00134b","","","0.71073","MoKα","","0.037","0.0294","","","0.0669","0.0696","","","","","","1.095","","","","has coordinates","283502","2023-05-05","03:33:41",""
"7246528","9.7944","0.0013","9.9395","0.0012","13.1845","0.0019","90","","97.554","0.009","90","","1272.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Organic compound","","","- C10 H4 Br4 N2 -","- C10 H4 Br4 N2 -","- C40 H16 Br16 N8 -","4","1","","Dedeoglu, Burcu; Gürek, Ayşe Gül; Zorlu, Yunus; Ayhan, Mehmet Menaf","Engineering supramolecular helical assemblies <i>via</i> interplay between carbon(sp) tetrel and halogen bonding interactions.","Physical chemistry chemical physics : PCCP","2023","25","16","11493","11500","10.1039/d3cp00134b","","","0.71073","MoKα","","0.0806","0.0499","","","0.1194","0.1322","","","","","","1.041","","","","has coordinates","283502","2023-05-05","03:33:41",""
"7246529","17.0057","0.0019","47.058","0.004","35.948","0.004","90","","96.993","0.004","90","","28554","5","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C19 H21 N3 O3 S -","- C19 H21 N3 O3 S -","- C1216 H1344 N192 O192 S64 -","64","16","","Ahmad, Ishtiyaq; Ganie, Arshid A.; Ahmad, Shamim; Ahangar, Aadil A.; Reddy, C. Malla; Dar, Aijaz A.","A high Z′ structure of an organic salt with unusually high phase stability, nanoindentation, and mechano and vapo-fluorochromism","CrystEngComm","2023","25","21","3164","3170","10.1039/D2CE01693A","","","0.71073","MoKα","","0.0622","0.0439","","","0.1079","0.1163","","","","","","1.046","","","","has coordinates","284273","2023-06-05","04:28:23",""
"7246530","5.9862","0.0001","26.6117","0.0003","11.3914","0.0002","90","","101.668","0.001","90","","1777.18","0.05","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 Eu2 N2 O16 -","- C19 H20 Eu2 N2 O16 -","- C38 H40 Eu4 N4 O32 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.0542","0.0525","","","0.1587","0.1596","","","","","","1.235","","","","has coordinates","283203","2023-05-05","01:20:43",""
"7246531","6.0396","0.0001","26.7827","0.0003","11.483","0.0002","90","","101.974","0.001","90","","1817.04","0.05","296","2","296","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C23 H26 N4 O16 Pr2 -","- C23 H26 N4 O16 Pr2 -","- C46 H52 N8 O32 Pr4 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.0502","0.0487","","","0.1411","0.142","","","","","","1.216","","","","has coordinates","283203","2023-05-05","01:20:45",""
"7246532","6.0356","0.0001","26.7275","0.0004","11.4561","0.0002","90","","101.874","0.002","90","","1808.51","0.05","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 N2 Nd2 O16 -","- C19 H20 N2 Nd2 O16 -","- C38 H40 N4 Nd4 O32 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.062","0.061","","","0.167","0.1674","","","","","","1.376","","","","has coordinates","283203","2023-05-05","01:20:55",""
"7246533","5.9578","0.0001","26.4881","0.0005","11.3463","0.0002","90","","101.548","0.002","90","","1754.32","0.06","298","2","298","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 N2 O16 Tb2 -","- C19 H20 N2 O16 Tb2 -","- C38 H40 N4 O32 Tb4 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.0817","0.0776","","","0.1947","0.1966","","","","","","1.274","","","","has coordinates","283203","2023-05-05","01:20:59",""
"7246534","6.00619","0.00014","26.6761","0.0007","11.4263","0.0003","90","","101.705","0.003","90","","1792.67","0.08","293","2","293","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C19 H20 N2 O16 Sm2 -","- C19 H20 N2 O16 Sm2 -","- C38 H40 N4 O32 Sm4 -","2","0.5","","ul Nisa, Zaib; Ashashi, Nargis Akhter; Singhaal, Richa; Ahmad, Musheer; Gomila, Rosa M.; Frontera, Antonio; Sheikh, Haq Nawaz","Selective and efficient detection of Pb2+ in aqueous solution by lanthanoid-organic frameworks bearing pyridine-3,4-dicarboxylic acid and glutaric acid","CrystEngComm","2023","25","16","2418","2440","10.1039/D3CE00099K","","","0.71073","MoKα","","0.059","0.0573","","","0.1183","0.119","","","","","","1.0235","","","","has coordinates","283203","2023-05-05","01:21:10",""
"7246535","9.5113","0.0004","12.2963","0.0005","14.3259","0.0005","90","","90","","90","","1675.47","0.11","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 O2 -","- C19 H26 O2 -","- C76 H104 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0259","0.0258","","","0.0675","0.0676","","","","","","1.043","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246536","10.43482","0.00016","10.88547","0.00017","16.7749","0.0003","90","","95.4518","0.0015","90","","1896.81","0.05","150","0.2","150","0.2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","2","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54184","CuKα","","0.0425","0.0344","","","0.0794","0.0856","","","","","","1.08","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246537","9.7147","0.0005","13.1197","0.0007","13.9392","0.0008","90","","90","","90","","1776.61","0.17","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C80 H112 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0287","0.0284","","","0.0763","0.0768","","","","","","1.046","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246538","11.1727","0.0013","12.5417","0.0014","13.6848","0.0016","90","","90","","90","","1917.6","0.4","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 O2 -","- C22 H32 O2 -","- C88 H128 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0297","0.0293","","","0.0772","0.0776","","","","","","1.088","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246539","10.1971","0.0006","13.0846","0.0008","13.6747","0.0008","90","","90","","90","","1824.55","0.19","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O2 -","- C21 H30 O2 -","- C84 H120 O8 -","4","1","","Straker, Hannah E.; McMillan, Lynn; Mardiana, Lina; Hebberd, Glen R.; Watson, Elle; Waddell, Paul G.; Probert, Michael R.; Hall, Michael J.","Polymorph prediction through observed structural isomorphism leading to a new crystalline form of cannabidiol","CrystEngComm","2023","25","16","2479","2484","10.1039/D3CE00041A","","x-ray","1.54178","CuKα","","0.0252","0.025","","","0.0644","0.0645","","","","","","1.034","","","","has coordinates","283209","2023-05-05","01:24:29",""
"7246540","7.079","0.002","9.363","0.003","11.864","0.003","93.881","0.005","97.142","0.005","100.629","0.004","763.5","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 Br N O2 -","- C15 H20 Br N O2 -","- C30 H40 Br2 N2 O4 -","2","1","","Zhang, Zhongyi; Hou, Zhong-Wei; Chen, Hao; Li, Pinhua; Wang, Lei","Electrochemical electrophilic bromination/spirocyclization of N-benzyl-acrylamides to brominated 2-azaspiro[4.5]decanes","Green Chemistry","2023","25","9","3543","3548","10.1039/D3GC00728F","","","0.71073","MoKα","","0.0643","0.0443","","","0.1089","0.1155","","","","","","0.996","","","","has coordinates","284281","2023-06-05","04:36:13",""
"7246541","6.676","0.0017","23.1","0.006","9.948","0.003","90","","94.562","0.004","90","","1529.3","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Zhang, Zhongyi; Hou, Zhong-Wei; Chen, Hao; Li, Pinhua; Wang, Lei","Electrochemical electrophilic bromination/spirocyclization of N-benzyl-acrylamides to brominated 2-azaspiro[4.5]decanes","Green Chemistry","2023","25","9","3543","3548","10.1039/D3GC00728F","","","0.71073","MoKα","","0.0492","0.0398","","","0.1031","0.1081","","","","","","1.019","","","","has coordinates","284281","2023-06-05","04:36:13",""
"7246542","8.7789","0.0005","10.3493","0.0006","11.4397","0.0006","96.56","0.002","102.11","0.002","102.726","0.002","977.14","0.1","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine 4-methylanisole","","- C52 H46 N2 O -","- C52 H46 N2 O -","- C52 H46 N2 O -","1","0.5","","Barton, Benita; Trollip, Danica B.; Hosten, Eric C.","Host behaviour of two tricyclic fused systems in mixed anisole guest solvents","CrystEngComm","2023","25","20","3013","3024","10.1039/D3CE00174A","","","0.71073","MoKα","","0.0473","0.0411","","","0.1075","0.1129","","","","","","1.05","","","","has coordinates,has disorder","284256","2023-06-05","04:22:08",""
"7246543","8.854","0.0004","10.4874","0.0005","11.4956","0.0006","96.485","0.002","102.37","0.002","102.734","0.002","1002.53","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N,N'-bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine 3-methylanisole","","- C52 H46 N2 O -","- C52 H46 N2 O -","- C52 H46 N2 O -","1","0.5","","Barton, Benita; Trollip, Danica B.; Hosten, Eric C.","Host behaviour of two tricyclic fused systems in mixed anisole guest solvents","CrystEngComm","2023","25","20","3013","3024","10.1039/D3CE00174A","","","0.71073","MoKα","","0.0589","0.0477","","","0.133","0.1436","","","","","","1.051","","","","has coordinates,has disorder","284256","2023-06-05","04:22:09",""
"7246544","12.3235","0.0007","13.4341","0.0008","13.8154","0.0008","107.75","0.002","93.267","0.002","102.939","0.002","2103.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C109 H104 N4 O3 -","- C109 H104 N4 O3 -","- C109 H104 N4 O3 -","1","0.5","","Barton, Benita; Trollip, Danica B.; Hosten, Eric C.","Host behaviour of two tricyclic fused systems in mixed anisole guest solvents","CrystEngComm","2023","25","20","3013","3024","10.1039/D3CE00174A","","","0.71073","MoKα","","0.058","0.0437","","","0.1081","0.1208","","","","","","1.03","","","","has coordinates,has disorder","284256","2023-06-05","04:22:09",""
"7246545","6.6428","0.0003","14.1206","0.0007","18.279","0.0009","90","","90","","90","","1714.58","0.14","113","","113","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H26 N2 O6 S -","- C14 H26 N2 O6 S -","- C56 H104 N8 O24 S4 -","4","1","","Haku, Ryotaro; Takatori, Kazuhiko; Suzuki, Naoto; Ono, Makoto; Titapiwatanakun, Varin; Fukami, Toshiro","Exploration and characterization of a novel cocrystal hydrate consisting of captopril, an amino acid-derived drug","CrystEngComm","2023","25","17","2523","2533","10.1039/D3CE00181D","","","1.54187","CuKα","","0.0326","0.0321","","","0.0904","0.0908","","","","","","1.069","","","","has coordinates","283199","2023-05-05","01:19:09",""
"7246546","8.415","0.001","8.415","0.001","13.689","0.002","90","","90","","120","","839.48","0.19","273","2","273","2","","","","","","","","3","P 32 2 1","P 32 2""","154","","","","- C14 H10 O2 -","- C14 H10 O2 -","- C42 H30 O6 -","3","0.5","","Bhukta, Swadhapriya; Chatterjee, Rana; Dandela, Rambabu","Metal-free, 2-MeTHF mediated C(sp)–H functionalization of alkynes with anilines to access diaryl 1,2-diketones bearing lower E-factors","Green Chemistry","2023","25","8","3034","3039","10.1039/D3GC00267E","","","0.71073","MoKα","","0.1336","0.0494","","","0.1259","0.2289","","","","","","0.771","","","","has coordinates","283361","2023-05-05","02:47:48",""
"7246547","11.302","0.002","14.387","0.003","11.454","0.002","90","","105.017","0.003","90","","1798.8","0.6","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H34 Dy2 N12 O12 -","- C30 H34 Dy2 N12 O12 -","- C60 H68 Dy4 N24 O24 -","2","0.5","","Du, Jiyuan; Wei, Shilong; Jiang, Zhijie; Ke, Hongshan; Sun, Lin; Zhang, Yiquan; Chen, Sanping","Influence of lattice water molecules on the magnetization dynamics of binuclear dysprosium(III) compounds: insights from magnetic and <i>ab initio</i> calculations.","Physical chemistry chemical physics : PCCP","2023","25","16","11717","11724","10.1039/d2cp06074d","","","0.71073","MoKα","","0.0682","0.0396","","","0.0822","0.0917","","","","","","1.004","","","","has coordinates","283501","2023-05-05","03:33:20",""
"7246548","9.182","0.005","10.72","0.006","12.462","0.007","86.385","0.01","88.762","0.009","67.666","0.008","1132.4","1.1","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H46 Dy2 N12 O18 -","- C30 H46 Dy2 N12 O18 -","- C30 H46 Dy2 N12 O18 -","1","0.5","","Du, Jiyuan; Wei, Shilong; Jiang, Zhijie; Ke, Hongshan; Sun, Lin; Zhang, Yiquan; Chen, Sanping","Influence of lattice water molecules on the magnetization dynamics of binuclear dysprosium(III) compounds: insights from magnetic and <i>ab initio</i> calculations.","Physical chemistry chemical physics : PCCP","2023","25","16","11717","11724","10.1039/d2cp06074d","","","0.71073","MoKα","","0.096","0.0614","","","0.1555","0.1824","","","","","","1.022","","","","has coordinates,has disorder","283501","2023-05-05","03:33:31",""
"7246554","12.54957","0.00013","5.45668","0.00004","21.5051","0.0003","90","","100.046","0.001","90","","1450.07","0.03","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 -","- C20 H18 N2 -","- C80 H72 N8 -","4","1","","Everaert, Jonas; Leus, Karen; Rijckaert, Hannes; Debruyne, Maarten; Van Hecke, Kristof; Morent, Rino; De Geyter, Nathalie; Van Speybroeck, Veronique; Van Der Voort, Pascal; Stevens, Christian V.","A recyclable rhodium catalyst anchored onto a bipyridine covalent triazine framework for transfer hydrogenation of N-heteroarenes in water","Green Chemistry","2023","25","8","3267","3277","10.1039/D3GC00167A","","x-ray","1.54184","CuKα","","0.0378","0.0351","","","0.0938","0.0962","","","","","","1.04","","","","has coordinates","283363","2023-05-05","02:48:25",""
"7246559","14.7676","0.0003","19.8952","0.0005","23.4556","0.0005","65.078","0.001","80.373","0.001","86.046","0.001","6161.6","0.2","193","","193","","","","","","","","","6","P -1","-P 1","2","","","","- C70 H54 Eu F12 N O9 -","- C70 H54 Eu F12 N O9 -","- C280 H216 Eu4 F48 N4 O36 -","4","2","","Yin, Sen; Li, Xiaomeng; Wang, Hongjing; Li, Jingya; Huang, Wenru; Gao, Ting; Yan, Pengfei; Zhou, Yanyan; Li, Hongfeng","Coordination-driven self-assembly of a sandwich shaped Eu(iii) complex for induced circularly polarized luminescence","CrystEngComm","2023","25","10","1541","1549","10.1039/D3CE00030C","","x-ray","0.71073","MoKα","","0.0846","0.049","","","0.0944","0.1103","","","","","","1.015","","","","has coordinates,has disorder","282235","2023-04-04","01:51:06",""
"7246560","9.7371","0.0009","10.1536","0.001","12.7652","0.0012","102.012","0.003","94.177","0.002","110.29","0.002","1143.27","0.19","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C30 H28 O3 -","- C30 H28 O3 -","- C60 H56 O6 -","2","1","","Nandi, Shantanu; Das, Pritha; Das, Subhodeep; Mondal, Shuvam; Jana, Ranjan","Visible-light-mediated β-acylative divergent alkene difunctionalization with Katritzky salt/CO2","Green Chemistry","2023","25","9","3633","3643","10.1039/D3GC00143A","","","1.54178","CuKα","","0.0689","0.0676","","","0.1901","0.1918","","","","","","1.045","","","","has coordinates","284284","2023-06-05","04:36:39",""
"7246561","8.998","0.0002","11.5521","0.0002","18.5351","0.0004","79.764","0.001","84.293","0.001","67.467","0.001","1750.2","0.06","298","","298","","","","","","","","","3","P -1","-P 1","2","","SNAN-966","","- C22 H18 O3 -","- C22 H18 O3 -","- C88 H72 O12 -","4","2","","Nandi, Shantanu; Das, Pritha; Das, Subhodeep; Mondal, Shuvam; Jana, Ranjan","Visible-light-mediated β-acylative divergent alkene difunctionalization with Katritzky salt/CO2","Green Chemistry","2023","25","9","3633","3643","10.1039/D3GC00143A","","","1.54178","CuKα","","0.0788","0.0684","","","0.1755","0.1871","","","","","","1.098","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7246564","7.3747","0.0004","8.7258","0.0004","13.7648","0.0007","80.5679","0.0015","82.5851","0.0015","86.1805","0.0015","865.55","0.08","250","2","250","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H18 B F3 N2 S -","- C19 H18 B F3 N2 S -","- C38 H36 B2 F6 N4 S2 -","2","1","","Castellanos-Soriano, Jorge; Zähringer, Till J B; Herrera-Luna, Jorge C; Jiménez, M Consuelo; Kerzig, Christoph; Pérez-Ruiz, Raúl","A new green-to-blue upconversion system with efficient photoredox catalytic properties.","Physical chemistry chemical physics : PCCP","2023","25","17","12041","12049","10.1039/d3cp00811h","","x-ray","0.71073","MoKα","","0.0442","0.037","","","0.0986","0.104","","","","","","1.039","","","","has coordinates","283497","2023-05-05","03:31:34",""
"7246565","16.7902","0.0017","16.967","0.0016","17.0009","0.0015","117.894","0.003","101.58","0.004","107.565","0.004","3729.8","0.7","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H17 B Br F3 N2 S -","- C19 H17 B Br F3 N2 S -","- C152 H136 B8 Br8 F24 N16 S8 -","8","4","","Castellanos-Soriano, Jorge; Zähringer, Till J B; Herrera-Luna, Jorge C; Jiménez, M Consuelo; Kerzig, Christoph; Pérez-Ruiz, Raúl","A new green-to-blue upconversion system with efficient photoredox catalytic properties.","Physical chemistry chemical physics : PCCP","2023","25","17","12041","12049","10.1039/d3cp00811h","","x-ray","0.71073","MoKα","","0.0644","0.0379","","","0.0739","0.0835","","","","","","1.029","","","","has coordinates","283497","2023-05-05","03:31:35",""
"7246566","16.7971","0.0006","10.4049","0.0004","20.9204","0.0008","90","","92.477","0.003","90","","3652.9","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H33 N9 S3 -","- C42 H33 N9 S3 -","- C168 H132 N36 S12 -","4","1","","Kedia, Moon; Soumya, K. R.; Phukon, Upasana; Mishra, Isha; Borkar, Reema L.; Vengadeshwaran, Palanichamy; Bhol, Mamina; Sathiyendiran, Malaichamy","A double ouroboros-shaped noncovalent molecular dimer","CrystEngComm","2023","25","17","2518","2522","10.1039/D3CE00264K","","","0.71073","MoKα","","0.1273","0.0628","","","0.1529","0.1913","","","","","","1.042","","","","has coordinates","283197","2023-05-05","01:18:44",""
"7246567","16.252","0.0005","9.079","0.0003","23.6755","0.0006","90","","94.965","0.003","90","","3480.26","0.18","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C41 H31 N9 S3 -","- C41 H31 N9 S3 -","- C164 H124 N36 S12 -","4","1","","Kedia, Moon; Soumya, K. R.; Phukon, Upasana; Mishra, Isha; Borkar, Reema L.; Vengadeshwaran, Palanichamy; Bhol, Mamina; Sathiyendiran, Malaichamy","A double ouroboros-shaped noncovalent molecular dimer","CrystEngComm","2023","25","17","2518","2522","10.1039/D3CE00264K","","","0.71073","MoKα","","0.1051","0.0623","","","0.1678","0.1993","","","","","","1.029","","","","has coordinates","283197","2023-05-05","01:18:48",""
"7246568","11.1814","0.0003","14.2429","0.0004","16.0263","0.0005","65.064","0.003","71.346","0.003","81.023","0.002","2192.11","0.13","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H39 N9 S3 -","- C45 H39 N9 S3 -","- C90 H78 N18 S6 -","2","1","","Kedia, Moon; Soumya, K. R.; Phukon, Upasana; Mishra, Isha; Borkar, Reema L.; Vengadeshwaran, Palanichamy; Bhol, Mamina; Sathiyendiran, Malaichamy","A double ouroboros-shaped noncovalent molecular dimer","CrystEngComm","2023","25","17","2518","2522","10.1039/D3CE00264K","","","0.71073","MoKα","","0.1003","0.0616","","","0.1509","0.1704","","","","","","1.051","","","","has coordinates,has disorder","283197","2023-05-05","01:18:48",""
"7246569","11.1802","0.0006","9.6493","0.0006","15.1332","0.0008","90","","90","","90","","1632.59","0.16","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C12 H30 N3 P S -","- C12 H30 N3 P S -","- C48 H120 N12 P4 S4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","","0.71073","MoKα","","0.0404","0.0362","","","0.0883","0.0912","","","","","","1.056","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246570","9.0129","0.0007","10.0163","0.0007","10.472","0.0007","64.525","0.007","76.954","0.006","66.104","0.007","778.78","0.11","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 N2 O3 P -","- C17 H15 N2 O3 P -","- C34 H30 N4 O6 P2 -","2","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","x-ray","0.71073","MoKα","","0.0569","0.0434","","","0.1053","0.1159","","","","","","1.036","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246571","9.4456","0.0002","12.1063","0.0002","14.6424","0.0003","90","","90","","90","","1674.38","0.06","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N6 P S -","- C15 H15 N6 P S -","- C60 H60 N24 P4 S4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","","0.71073","MoKα","","0.0254","0.0246","","","0.0628","0.0636","","","","","","1.052","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246572","11.2653","0.0002","19.0533","0.0004","8.9226","0.0002","90","","99.3906","0.0019","90","","1889.49","0.07","120","0.1","120","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 Cl N2 O2 P -","- C18 H28 Cl N2 O2 P -","- C72 H112 Cl4 N8 O8 P4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","x-ray","1.54184","CuKα","","0.0326","0.0312","","","0.053","0.0537","","","","2.14","2.14","2.12","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246573","6.0515","0.0002","17.9235","0.0008","19.304","0.0008","90","","93.157","0.003","90","","2090.61","0.14","293","","293","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 Cl N2 O2 P -","- C20 H32 Cl N2 O2 P -","- C80 H128 Cl4 N8 O8 P4 -","4","1","","Hosseinpoor, Saeed; Pourayoubi, Mehrdad; Abrishami, Mozhgan; Sobati, Marjan; Karimi Ahmadabad, Fatemeh; Sabbaghi, Fahimeh; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Kaur, Manpreet","Competing and directing interactions in new phosphoramide/thiophosphoramide structures: energy considerations and evidence for CH⋯HC contacts and aliphatic–aromatic stacking","CrystEngComm","2023","25","17","2557","2569","10.1039/D3CE00204G","","x-ray","1.54184","CuKα","","0.062","0.0513","","","0.0607","0.0632","","","","1.75","1.75","1.62","","","","has coordinates","283195","2023-05-05","01:17:43",""
"7246576","8.806","0.002","9.11","0.003","23.923","0.006","90","","96.827","0.006","90","","1905.6","0.9","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 Cu N4 O4 -","- C19 H18 Cu N4 O4 -","- C76 H72 Cu4 N16 O16 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0625","0.0441","","","0.0989","0.1067","","","","","","1.044","","","","has coordinates","284252","2023-06-05","04:20:58",""
"7246577","13.4822","0.0009","10.2082","0.0007","19.4797","0.0013","90","","105.29","0.002","90","","2586.1","0.3","120","","120","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 Cu4 N6 O22 -","- C48 H50 Cu4 N6 O22 -","- C96 H100 Cu8 N12 O44 -","2","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.1031","0.0501","","","0.0933","0.11","","","","","","0.996","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246578","13.4355","0.0011","14.4906","0.0012","8.9824","0.0007","90","","99.255","0.002","90","","1726","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cu N2 O5 -","- C17 H18 Cu N2 O5 -","- C68 H72 Cu4 N8 O20 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0604","0.0421","","","0.1033","0.1106","","","","","","1.053","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246579","9.1259","0.0007","13.4355","0.001","14.5446","0.0011","90","","90","","90","","1783.3","0.2","120","","120","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C18 H15.5 Cu N2 O4.25 -","- C18 H15.5 Cu N2 O4.2499 -","- C72 H62 Cu4 N8 O16.9996 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0825","0.0626","","","0.1297","0.1397","","","","","","1.028","","","","has coordinates,has disorder","284252","2023-06-05","04:21:01",""
"7246580","9.193","0.002","12.176","0.005","20.62","0.008","90","","98.301","0.018","90","","2283.9","1.4","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cu N2 O8.5 -","- C22 H25 Cu N2 O8.5 -","- C88 H100 Cu4 N8 O34 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.1371","0.0883","","","0.1828","0.2072","","","","","","1.002","","","","has coordinates,has disorder","284252","2023-06-05","04:21:01",""
"7246581","20.737","0.004","8.442","0.0017","40.952","0.008","90","","97.09","0.03","90","","7114","2","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C64 H80 Cu4 N6 O21 -","- C64 H80 Cu4 N6 O21 -","- C256 H320 Cu16 N24 O84 -","4","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.788","","","0.1042","0.0864","","","0.2121","0.2228","","","","","","1.039","","","","has coordinates,has disorder","284252","2023-06-05","04:21:01",""
"7246582","24.8208","0.0014","19.2806","0.0011","13.1952","0.0008","90","","95.625","0.001","90","","6284.3","0.6","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C60 H72 Cu4 N8 O24 -","- C60 H72 Cu4 N8 O24 -","- C240 H288 Cu16 N32 O96 -","4","1","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.1046","0.0587","","","0.1471","0.1714","","","","","","1.016","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246583","16.7676","0.0006","13.2787","0.0005","17.0342","0.0006","90","","117.98","0.002","90","","3349.4","0.2","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H87 Cu4 N6 O21.5 -","- C64 H87 Cu4 N6 O21.5 -","- C128 H174 Cu8 N12 O43 -","2","0.5","","Zorina-Tikhonova, Ekaterina N.; Chistyakov, Aleksandr S.; Novikova, Veronika A.; Knyazev, Daniil A.; Gogoleva, Natalia V.; Blinou, Daniil O.; Efimov, Nikolay N.; Dorovatovskii, Pavel V.; Kiskin, Mikhail A.; Eremenko, Igor L.; Vologzhanina, Anna V.","Design and synthesis of copper(ii) malonates with N,N′-containing linkers","CrystEngComm","2023","25","19","2859","2870","10.1039/D3CE00081H","","","0.71073","MoKα","","0.0404","0.0331","","","0.089","0.0934","","","","","","1.067","","","","has coordinates","284252","2023-06-05","04:21:01",""
"7246584","8.7502","0.0003","9.7243","0.0003","16.258","0.0005","97.669","0.003","90.451","0.003","112.261","0.002","1266.25","0.07","303","2","303","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H26 N2 O3 -","- C31 H26 N2 O3 -","- C62 H52 N4 O6 -","2","1","","Zhang, Min; Wang, Min-Yu; Yu, Yue-Ming; Meng, Su-Su; Yan, Cui-Wei; Wu, Zhi-Yong; Li, Yan-Tuan","Supramolecular self-assembly with p-coumaric acid offers the first cocrystal for perfecting the physicochemical peculiarity and enhancing the antifungal effect of drug bifonazole","CrystEngComm","2023","25","18","2789","2801","10.1039/D3CE00082F","","","1.54186","CuKα","","0.0718","0.0654","","","0.1749","0.1818","","","","","","1.045","","","","has coordinates","284267","2023-06-05","04:25:37",""
"7246585","21.0625","0.0004","11.03858","0.00013","34.7488","0.0004","90","","98.5112","0.0013","90","","7990.1","0.2","293","2","293","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C85 H79 Eu2 N9 O20 -","- C85 H79 Eu2 N9 O20 -","- C340 H316 Eu8 N36 O80 -","4","0.5","","Zhao, Li-Juan; Li, Bin; Yong, Guo-Ping","Four isostructural lanthanide metal–organic frameworks: luminescence properties and fluorescence sensing for Fe3+ and Cr2O72− ions","CrystEngComm","2023","25","18","2813","2823","10.1039/D3CE00142C","","","1.54184","CuKα","","0.0537","0.042","","","0.101","0.1096","","","","","","1.039","","","","has coordinates","284264","2023-06-05","04:24:39",""
"7246586","6.925","0.003","27.776","0.011","9.963","0.005","90","","106.46","0.03","90","","1837.8","1.4","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 F4 N4 O3 -","- C19 H12 F4 N4 O3 -","- C76 H48 F16 N16 O12 -","4","1","","Meng, Xiao; Xu, Shu; Chen, Changqing; Guo, Lihui; Ma, Yuguo","Topochemical 1,3-dipolar cycloaddition polymerization assisted by non-covalent interactions","CrystEngComm","2023","25","18","2706","2711","10.1039/D3CE00105A","","","0.71073","MoKα","","0.1017","0.0869","","","0.207","0.2163","","","","","","1.192","","","","has coordinates","284266","2023-06-05","04:25:22",""
"7246587","9.197","0.0004","9.197","0.0004","14.6568","0.0007","90","","90","","90","","1239.74","0.1","100","2","100","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C H4 N2 O2 -","- C H4 N2 O2 -","- C16 H64 N32 O32 -","16","1","","Rai, Sunil K.; Tothadi, Srinu; Arhangelskis, Mihails; George, Christy P.; Gonnade, Rajesh G.; Nangia, Ashwini K.","Polymorph II of hydroxyurea 150 years after its first synthesis","CrystEngComm","2023","25","18","2712","2716","10.1039/D3CE00163F","","","0.71073","MoKα","","0.0353","0.0321","","","0.0988","0.1201","","","","","","1.252","","","","has coordinates","284261","2023-06-05","04:24:05",""
"7246588","8.3422","0.001","4.8944","0.0006","8.7962","0.001","90","","122.423","0.003","90","","303.16","0.06","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Hydroxyurea","","","- C H4 N2 O2 -","- C H4 N2 O2 -","- C4 H16 N8 O8 -","4","1","","Rai, Sunil K.; Tothadi, Srinu; Arhangelskis, Mihails; George, Christy P.; Gonnade, Rajesh G.; Nangia, Ashwini K.","Polymorph II of hydroxyurea 150 years after its first synthesis","CrystEngComm","2023","25","18","2712","2716","10.1039/D3CE00163F","","","0.71073","MoKα","","0.0598","0.0595","","","0.1743","0.1745","","","","","","1.164","","","","has coordinates","284261","2023-06-05","04:24:12",""
"7246604","7.909","0.00013","3.95477","0.00007","7.94357","0.00013","90","","90.0831","0.0015","90","","248.461","0.007","293","0.1","293","0.1","","","","","","","","2","P 1 21/a 1","-P 2yab","14","Europium disulfide","Europium (III) disulfide","","- Eu S2 -","- Eu S2 -","- Eu4 S8 -","4","1","","Ekimov, E. A.; Nikolaev, S. N.; Ivanova, A. G.; Sidorov, V. A.; Shiryaev, A. A.; Usmanov, I. I.; Vasiliev, A. L.; Artemov, V. V.; Kondrin, M. V.; Chernopitsskiy, M. A.; Krivobok, V. S.","Structural, optical and transport properties of layered europium disulfide synthesized under high pressure","CrystEngComm","2023","25","19","2966","2978","10.1039/D2CE01647H","","x-ray","0.71073","MoKα","","0.0144","0.0121","","","0.0229","0.0232","","","","","","1.074","","","","has coordinates","284250","2023-06-05","04:20:31",""
"7246605","6.607","0.002","10.064","0.002","21.6","0.004","90","","90","","90","","1436.2","0.6","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 -","- C18 H16 N2 -","- C72 H64 N8 -","4","1","","Devi, Arpita; Bharali, Mrinmoy Manash; Biswas, Subir; Bora, Tonmoy J.; Nath, Jayanta K.; Lee, Seonghwan; Park, Young-Bin; Saikia, Lakshi; Baruah, Manash J.; Bania, Kusum K.","Utilization of methanol and ethanol for 3,3′-bis(indolyl)methane synthesis through activation of peroxymonosulfate over a copper catalyst","Green Chemistry","2023","25","9","3443","3448","10.1039/D3GC00440F","","","0.71073","MoKα","","0.112","0.0627","","","0.1339","0.1528","","","","","","1.015","","","","has coordinates","284283","2023-06-05","04:36:32",""
"7246606","7.817","0.015","18.49","0.03","11.24","0.02","90","","96.61","0.04","90","","1614","5","296","2","296","2","","","","","","","","4","I 1 c 1","I -2yc","9","","","","- C18 H14 Cl2 N2 -","- C18 H14 Cl2 N2 -","- C72 H56 Cl8 N8 -","4","1","","Devi, Arpita; Bharali, Mrinmoy Manash; Biswas, Subir; Bora, Tonmoy J.; Nath, Jayanta K.; Lee, Seonghwan; Park, Young-Bin; Saikia, Lakshi; Baruah, Manash J.; Bania, Kusum K.","Utilization of methanol and ethanol for 3,3′-bis(indolyl)methane synthesis through activation of peroxymonosulfate over a copper catalyst","Green Chemistry","2023","25","9","3443","3448","10.1039/D3GC00440F","","","0.71073","MoKα","","0.061","0.048","","","0.1152","0.1238","","","","","","1.089","","","","has coordinates","284283","2023-06-05","04:36:32",""
"7246607","12.96","0.005","18.557","0.01","7.814","0.003","90","","120.687","0.009","90","","1616.1","1.2","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H14 Br2 N2 -","- C18 H14 Br2 N2 -","- C72 H56 Br8 N8 -","4","1","","Devi, Arpita; Bharali, Mrinmoy Manash; Biswas, Subir; Bora, Tonmoy J.; Nath, Jayanta K.; Lee, Seonghwan; Park, Young-Bin; Saikia, Lakshi; Baruah, Manash J.; Bania, Kusum K.","Utilization of methanol and ethanol for 3,3′-bis(indolyl)methane synthesis through activation of peroxymonosulfate over a copper catalyst","Green Chemistry","2023","25","9","3443","3448","10.1039/D3GC00440F","","","0.71073","MoKα","","0.1275","0.0529","","","0.0992","0.1278","","","","","","0.92","","","","has coordinates","284283","2023-06-05","04:36:32",""
"7246608","14.852","0.003","8.3709","0.0017","15.745","0.003","90","","111.498","0.004","90","","1821.3","0.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N O3 S Se -","- C19 H19 N O3 S Se -","- C76 H76 N4 O12 S4 Se4 -","4","1","","Wang, Renjie; Zhang, Nana; Zhang, Yonghong; Wang, Bin; Xia, Yu; Sun, Kai; Jin, Weiwei; Li, Xinyong; Liu, Chenjiang","Versatile electrooxidative amino- and oxyselenation of alkenes","Green Chemistry","2023","25","10","3925","3930","10.1039/D3GC00837A","","","0.71073","MoKα","","0.0802","0.0406","","","0.0854","0.0967","","","","","","1.033","","","","has coordinates","284279","2023-06-05","04:35:56",""
"7246609","6.042","0.0006","7.1534","0.0007","41.598","0.004","90","","91.97","0.002","90","","1796.8","0.3","296.15","","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O4 Se -","- C19 H19 N O4 Se -","- C76 H76 N4 O16 Se4 -","4","1","","Wang, Renjie; Zhang, Nana; Zhang, Yonghong; Wang, Bin; Xia, Yu; Sun, Kai; Jin, Weiwei; Li, Xinyong; Liu, Chenjiang","Versatile electrooxidative amino- and oxyselenation of alkenes","Green Chemistry","2023","25","10","3925","3930","10.1039/D3GC00837A","","","0.71073","MoKα","","0.079","0.0442","","","0.078","0.0873","","","","","","1.036","","","","has coordinates","284279","2023-06-05","04:35:56",""
"7246610","9.9532","0.0009","24.647","0.002","17.5152","0.0015","90","","90","","90","","4296.8","0.6","296.15","","296.15","","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C23 H18 Br N O3 S Se -","- C23 H18 Br N O3 S Se -","- C184 H144 Br8 N8 O24 S8 Se8 -","8","1","","Wang, Renjie; Zhang, Nana; Zhang, Yonghong; Wang, Bin; Xia, Yu; Sun, Kai; Jin, Weiwei; Li, Xinyong; Liu, Chenjiang","Versatile electrooxidative amino- and oxyselenation of alkenes","Green Chemistry","2023","25","10","3925","3930","10.1039/D3GC00837A","","","0.71073","MoKα","","0.0625","0.0333","","","0.0606","0.0691","","","","","","1.006","","","","has coordinates","284279","2023-06-05","04:35:56",""
"7246611","10.3022","0.0005","17.0112","0.0008","13.9944","0.0007","90","","109.803","0.002","90","","2307.5","0.2","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H16 N2 O8 Zn2 -","- C25 H16 N2 O8 Zn2 -","- C100 H64 N8 O32 Zn8 -","4","1","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.043","0.0336","","","0.0797","0.0843","","","","","","1.05","","","","has coordinates","284259","2023-06-05","04:23:37",""
"7246612","9.3209","0.0004","9.6054","0.0004","10.9253","0.0005","97.395","0.001","92.419","0.001","103.814","0.001","939.25","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H12 N O8 Zn2 -","- C20 H12 N O8 Zn2 -","- C40 H24 N2 O16 Zn4 -","2","1","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.0402","0.0372","","","0.0982","0.101","","","","","","1.047","","","","has coordinates","284259","2023-06-05","04:23:37",""
"7246613","15.4865","0.0006","7.7516","0.0003","21.7882","0.0009","90","","107.48","0.001","90","","2494.79","0.17","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C56 H44 N4 O15 Zn3 -","- C56 H44 N4 O15 Zn3 -","- C112 H88 N8 O30 Zn6 -","2","0.5","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.048","0.0429","","","0.1154","0.12","","","","","","1.085","","","","has coordinates,has disorder","284259","2023-06-05","04:23:37",""
"7246614","21.1334","0.0008","10.3316","0.0004","26.5739","0.0008","90","","121.011","0.002","90","","4972.9","0.3","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C54 H32 N4 O16 Zn4 -","- C54 H32 N4 O16 Zn4 -","- C216 H128 N16 O64 Zn16 -","4","1","","Zhang, Kena; Wang, Qiushuang; Gong, Yuanyuan; Wang, Nairong; Li, Xia","Four Zn(ii)-5-(2-carboxy-phenoxy)-1,3-benzenedicarboxylate coordination polymers induced by different N-ligands: synthesis, structure, and fluorescence detection for BPA and IMH","CrystEngComm","2023","25","20","3033","3043","10.1039/D3CE00179B","","","0.71073","MoKα","","0.0537","0.042","","","0.1058","0.1125","","","","","","1.023","","","","has coordinates","284259","2023-06-05","04:23:37",""
"7246615","8.2815","0.0003","16.5697","0.0001","4.7742","0.0003","90","","90","","90","","655.13","0.05","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C3 H5 N7 O2 -","- C3 H5 N7 O2 -","- C12 H20 N28 O8 -","4","1","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.1267","0.0624","","","0.1222","0.1519","","","","","","1.052","","","","has coordinates","284276","2023-06-05","04:28:46",""
"7246616","3.6672","0.0003","24.648","0.002","7.3252","0.0007","90","","98.28","0.003","90","","655.22","0.1","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H6 N8 O -","- C3 H6 N8 O -","- C12 H24 N32 O4 -","4","1","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.0489","0.0386","","","0.0821","0.0881","","","","","","1.063","","","","has coordinates","284276","2023-06-05","04:28:49",""
"7246617","12.714","0.0016","8.0602","0.001","7.0415","0.0008","90","","95.899","0.003","90","","717.77","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C0.86 H1.71 N2.29 O0.57 -","- C0.857143 H1.71429 N2.28571 O0.571429 -","- C12 H24 N32 O8 -","14","3.5","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.0506","0.0376","","","0.0848","0.0913","","","","","","1.111","","","","has coordinates","284276","2023-06-05","04:28:49",""
"7246618","12.9556","0.0015","8.7565","0.001","6.4841","0.0008","90","","104.077","0.003","90","","713.5","0.15","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N9 O -","- C3 H7 N9 O -","- C12 H28 N36 O4 -","4","1","","Zhang, Jinhao; Jin, Zhiyuan; Xia, Yunlong; Li, Ying; Hao, Wenjia; Guo, Zhicheng; Wang, Ying; Peng, Rufang; Jin, Bo","A π-stacking highly stable insensitive energetic inner salt and its insensitive energetic salts","CrystEngComm","2023","25","21","3181","3188","10.1039/D3CE00209H","","","0.71073","MoKα","","0.0794","0.0572","","","0.1306","0.1412","","","","","","1.178","","","","has coordinates","284276","2023-06-05","04:28:49",""
"7246619","7.7755","0.001","9.6671","0.0012","16.403","0.002","91.184","0.003","91.699","0.003","92.084","0.002","1231.3","0.3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Cl2 N O2 -","- C27 H31 Cl2 N O2 -","- C54 H62 Cl4 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0523","0.0409","","","0.1043","0.1127","","","","","","1.034","","","","has coordinates","287935","2023-12-01","15:08:13",""
"7246620","7.8919","0.0015","11.242","0.002","14.8","0.003","76.592","0.004","81.917","0.004","76.998","0.004","1239.1","0.4","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H31 Cl2 N O2 -","- C27 H31 Cl2 N O2 -","- C54 H62 Cl4 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0602","0.0427","","","0.0978","0.1073","","","","","","1.015","","","","has coordinates","284262","2023-06-05","04:24:21",""
"7246621","7.8166","0.0016","9.981","0.002","16.223","0.003","87.546","0.004","89.183","0.004","88.641","0.004","1264.1","0.4","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H30 Cl3 N O2 -","- C27 H30 Cl3 N O2 -","- C54 H60 Cl6 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0423","0.0357","","","0.0952","0.1005","","","","","","1.034","","","","has coordinates","284262","2023-06-05","04:24:21",""
"7246622","7.938","0.009","11.115","0.013","15.689","0.018","74.87","0.02","87.11","0.02","83.09","0.02","1326","3","110.15","","110.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H28 Cl5 N O2 -","- C27 H28 Cl5 N O2 -","- C54 H56 Cl10 N2 O4 -","2","1","","Johnson, Oliver D.; Wainwright, Stephen G.; Whitwood, Adrian C.; Bruce, Duncan W.","Hydrogen-bonded liquid crystals formed from 4-alkoxystilbazoles and chlorophenols","CrystEngComm","2023","25","18","2778","2788","10.1039/D3CE00266G","","","0.71073","MoKα","","0.0735","0.0541","","","0.1418","0.1578","","","","","","1.021","","","","has coordinates","284262","2023-06-05","04:24:21",""
"7246623","17.9201","0.001","18.1588","0.0007","18.7085","0.0011","90","","119.419","0.008","90","","5302.9","0.6","363.15","","363.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 F12 Fe N10 O12 S4 -","- C44 H32 F12 Fe N10 O12 S4 -","- C176 H128 F48 Fe4 N40 O48 S16 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Shigeta, Yasuteru; Sato, Hiroyasu; Wu, Shu-Qi; Kiyanagi, Ryoji; Munakata, Koji; Ohhara, Takashi; Sato, Osamu","Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement.","Physical chemistry chemical physics : PCCP","2023","25","17","12394","12400","10.1039/d3cp00527e","","","0.71073","MoKα","","0.1802","0.1527","","","0.4202","0.4444","","","","","","1.791","","","","has coordinates,has disorder","283498","2023-05-05","03:31:49",""
"7246624","17.0591","0.0006","17.8559","0.0004","18.1668","0.0007","90","","117.356","0.005","90","","4914.9","0.4","123.15","","123.15","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 F12 Fe N10 O12 S4 -","- C44 H32 F12 Fe N10 O12 S4 -","- C176 H128 F48 Fe4 N40 O48 S16 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Shigeta, Yasuteru; Sato, Hiroyasu; Wu, Shu-Qi; Kiyanagi, Ryoji; Munakata, Koji; Ohhara, Takashi; Sato, Osamu","Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement.","Physical chemistry chemical physics : PCCP","2023","25","17","12394","12400","10.1039/d3cp00527e","","","0.71073","MoKα","","0.0462","0.0429","","","0.1141","0.1166","","","","","","1.032","","","","has coordinates","283498","2023-05-05","03:31:49",""
"7246625","17.84431","0.00005","18.07445","0.00013","18.68645","0.00007","90","","119.136","0.0002","90","","5264.28","0.05","350","2","350","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 F12 Fe N10 O12 S4 -","- C44 H32 F12 Fe N10 O12 S4 -","- C176 H128 F48 Fe4 N40 O48 S16 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Shigeta, Yasuteru; Sato, Hiroyasu; Wu, Shu-Qi; Kiyanagi, Ryoji; Munakata, Koji; Ohhara, Takashi; Sato, Osamu","Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement.","Physical chemistry chemical physics : PCCP","2023","25","17","12394","12400","10.1039/d3cp00527e","","","1","neutrons","","0.2435","0.1206","","","0.2902","0.3493","","","","","","1.151","","","","has coordinates,has disorder","283498","2023-05-05","03:31:49",""
"7246626","17.09","0.003","17.886","0.002","18.179","0.003","90","","117.147","0.01","90","","4944.7","1.4","130","1","130","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C44 H32 F12 Fe N10 O12 S4 -","- C44 H32 F12 Fe N10 O12 S4 -","- C176 H128 F48 Fe4 N40 O48 S16 -","4","1","","Nakanishi, Takumi; Hori, Yuta; Shigeta, Yasuteru; Sato, Hiroyasu; Wu, Shu-Qi; Kiyanagi, Ryoji; Munakata, Koji; Ohhara, Takashi; Sato, Osamu","Observation of proton-transfer-coupled spin transition by single-crystal neutron-diffraction measurement.","Physical chemistry chemical physics : PCCP","2023","25","17","12394","12400","10.1039/d3cp00527e","","","1","neutrons","","0.14","0.0654","","","0.1259","0.1466","","","","","","1.053","","","","has coordinates","283498","2023-05-05","03:31:49",""
"7246628","11.3032","0.0004","9.775","0.0003","47.7728","0.0014","90","","93.4935","0.0009","90","","5268.5","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C62 H36 O8 -","- C62 H36 O8 -","- C248 H144 O32 -","4","1","","Stawiasz, Katherine J.; Deneff, Jacob I.; Reyes, Raphael A.; Woods, Toby J.; Rohwer, Lauren E. S.; Valdez, Nichole; Rodriguez, Mark A.; Lawal, Abdul; Moore, Jeffrey S.; Sava Gallis, Dorina F.","Improved quantum yield in geometrically constrained tetraphenylethylene-based metal–organic frameworks","CrystEngComm","2023","25","18","2701","2705","10.1039/D3CE00228D","","","0.71073","MoKα","","0.0775","0.0623","","","0.13","0.1373","","","","","","1.104","","","","has coordinates,has disorder","284269","2023-06-05","04:26:57",""
"7246629","10.4851","0.0005","17.0154","0.0008","24.7946","0.0011","89.7118","0.0011","89.6383","0.0012","82.0544","0.0012","4381","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C74.5 H59.5 N2.5 O10.5 Zn2 -","- C74.5 H59.5 N2.5 O10.5 Zn2 -","- C149 H119 N5 O21 Zn4 -","2","1","","Stawiasz, Katherine J.; Deneff, Jacob I.; Reyes, Raphael A.; Woods, Toby J.; Rohwer, Lauren E. S.; Valdez, Nichole; Rodriguez, Mark A.; Lawal, Abdul; Moore, Jeffrey S.; Sava Gallis, Dorina F.","Improved quantum yield in geometrically constrained tetraphenylethylene-based metal–organic frameworks","CrystEngComm","2023","25","18","2701","2705","10.1039/D3CE00228D","","","0.71073","MoKα","","0.1075","0.1034","","","0.3158","0.3259","","","","","","1.584","","","","has coordinates,has disorder","284269","2023-06-05","04:26:57",""
"7246630","4.0174","0.0005","24.741","0.0018","13.0728","0.001","90","","95.086","0.005","90","","1294.2","0.2","296","2","296","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C22 H12 F2 N4 S6 Se2 -","- C22 H12 F2 N4 S6 Se2 -","- C44 H24 F4 N8 S12 Se4 -","2","0.5","","Beau, Maxime; Jeannin, Olivier; Fourmigué, Marc; Auban-Senzier, Pascale; Pasquier, Claude; Alemany, Pere; Canadell, Enric; Jeon, Ie-Rang","Chalcogen bonding and variable charge transfer degree in two polymorphs of 1 : 1 conducting salts with segregated stacks","CrystEngComm","2023","25","21","3189","3197","10.1039/D3CE00260H","","x-ray","0.71073","MoKα","","0.0743","0.049","","","0.0968","0.1047","","","","","","1.041","","","","has coordinates","284274","2023-06-05","04:28:30",""
"7246631","16.3862","0.0016","20.785","0.002","7.6276","0.0009","90","","100.272","0.006","90","","2556.2","0.5","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 F2 N4 S6 Se2 -","- C22 H12 F2 N4 S6 Se2 -","- C88 H48 F8 N16 S24 Se8 -","4","0.5","","Beau, Maxime; Jeannin, Olivier; Fourmigué, Marc; Auban-Senzier, Pascale; Pasquier, Claude; Alemany, Pere; Canadell, Enric; Jeon, Ie-Rang","Chalcogen bonding and variable charge transfer degree in two polymorphs of 1 : 1 conducting salts with segregated stacks","CrystEngComm","2023","25","21","3189","3197","10.1039/D3CE00260H","","x-ray","0.71073","MoKα","","0.1001","0.0511","","","0.097","0.1149","","","","","","1.022","","","","has coordinates","284274","2023-06-05","04:28:30",""
"7246632","11.1356","0.0018","13.457","0.002","15.87","0.002","90","","103.005","0.004","90","","2317.1","0.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 Cd2 N8 O16 -","- C44 H36 Cd2 N8 O16 -","- C88 H72 Cd4 N16 O32 -","2","0.5","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.1056","0.036","","","0.0662","0.0936","","","","","","0.968","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246633","11.0553","0.0007","13.6054","0.001","15.7426","0.001","90","","104.307","0.002","90","","2294.4","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H36 N8 O16 Zn2 -","- C44 H36 N8 O16 Zn2 -","- C88 H72 N16 O32 Zn4 -","2","0.5","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0863","0.0628","","","0.1158","0.1243","","","","","","1.088","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246634","9.2175","0.0003","11.0467","0.0005","13.4532","0.0006","104.477","0.002","101.662","0.002","109.627","0.001","1186.22","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cd N2 O9 -","- C24 H22 Cd N2 O9 -","- C48 H44 Cd2 N4 O18 -","2","1","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0693","0.0448","","","0.092","0.1033","","","","","","1.049","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246635","12.3981","0.0006","8.4459","0.0003","15.1806","0.0007","90","","104.276","0.002","90","","1540.52","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H25 Cd2 N O16 -","- C27 H25 Cd2 N O16 -","- C54 H50 Cd4 N2 O32 -","2","1","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0292","0.0272","","","0.0645","0.0658","","","","","","1.037","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246636","11.7905","0.0004","11.7905","0.0004","23.9682","0.0008","90","","90","","90","","3331.96","0.19","100","2","100","2","","","","","","","","5","P 43","P 4cw","78","","","","- C34 H26 N2 O14 Zn2 -","- C34 H26 N2 O14 Zn2 -","- C136 H104 N8 O56 Zn8 -","4","1","","Ejarque, Daniel; Sánchez-Férez, Francisco; Félez-Guerrero, Núria; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Pyridine-driven assembly of Zn(ii) and Cd(ii) complexes with 2-furoic acid. The role of water in a structural transformation","CrystEngComm","2023","25","18","2739","2754","10.1039/D3CE00104K","","","0.71073","MoKα","","0.0336","0.0298","","","0.081","0.0836","","","","","","1.035","","","","has coordinates","284265","2023-06-05","04:25:03",""
"7246637","6.1791","0.0001","15.1836","0.0002","14.4771","0.0002","90","","95.557","0.001","90","","1351.87","0.03","170.01","0.1","170.01","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 Br2 O6 -","- C26 H30 Br2 O6 -","- C52 H60 Br4 O12 -","2","1","","Qiu, Huixin; Ren, Jiayi; Zhang, Long; Song, Ran; Si, Wen; Yang, Daoshan; Wen, Lirong; Lv, Jian","Enantioselective Meerwein–Ponndorf–Verley reduction of β,γ-unsaturated α-keto esters by asymmetric binary-acid catalysis in the green solvent iPrOH","Green Chemistry","2023","25","10","3948","3955","10.1039/D2GC03441G","","x-ray","1.54184","CuKα","","0.0312","0.0304","","","0.0864","0.0872","","","","","","1.099","","","","has coordinates,has disorder","284277","2023-06-05","04:35:31",""
"7246640","10.227","0.005","13.29","0.008","14.005","0.007","105.691","0.01","95.959","0.008","90.075","0.009","1821.8","1.7","143","","143","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 B10 -","- C18 H20 B10 -","- C72 H80 B40 -","4","2","","Ochi, Junki; Yanagihara, Takumi; Tanaka, Kazuo; Chujo, Yoshiki","Tuning of the height of energy barrier between locally-excited and charge transfer states by altering the fusing position of <i>o</i>-carborane in phenylnaphthalene.","Physical chemistry chemical physics : PCCP","2023","25","16","11839","11844","10.1039/d3cp00334e","","","0.71075","MoKα","","0.212","0.1185","","","0.2348","0.2859","","","","","","1.078","","","","has coordinates","283500","2023-05-05","03:33:07",""
"7246641","10.943","0.003","11.516","0.003","14.661","0.004","90","","90.013","0.005","90","","1847.6","0.9","143","","143","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 B10 -","- C18 H20 B10 -","- C72 H80 B40 -","4","1","","Ochi, Junki; Yanagihara, Takumi; Tanaka, Kazuo; Chujo, Yoshiki","Tuning of the height of energy barrier between locally-excited and charge transfer states by altering the fusing position of <i>o</i>-carborane in phenylnaphthalene.","Physical chemistry chemical physics : PCCP","2023","25","16","11839","11844","10.1039/d3cp00334e","","","0.71075","MoKα","","0.0835","0.0646","","","0.1318","0.1435","","","","","","1.068","","","","has coordinates","283500","2023-05-05","03:33:08",""
"7246646","14.107","0.008","7.457","0.005","17.652","0.012","90","","107.15","0.03","90","","1774","2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (1:0.5)","","- C16 H21 N5 O6 -","- C16 H21 N5 O6 -","- C64 H84 N20 O24 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0496","0.04","","","0.099","0.1053","","","","","","1.049","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246647","11.237","0.006","13.848","0.008","15.127","0.009","67.99","0.02","87.32","0.02","66.84","0.03","1992","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Famciclovir-fumaric acid (2:2) Form I","","- C18 H23 N5 O8 -","- C18 H23 N5 O8 -","- C72 H92 N20 O32 -","4","2","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0585","0.0436","","","0.1005","0.1083","","","","","","1.053","","","","has coordinates,has disorder","283196","2023-05-05","01:18:10",""
"7246648","14.095","0.008","7.424","0.003","39.15","0.02","90","","91.267","0.013","90","","4096","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (2:2) Form II","","- C36 H46 N10 O16 -","- C36 H46 N10 O16 -","- C144 H184 N40 O64 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0829","0.0475","","","0.1056","0.1231","","","","","","1.012","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246649","11.005","0.004","12.739","0.004","11.783","0.004","90","","107.323","0.012","90","","1577","0.9","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Famciclovir anhydrate","","- C14 H19 N5 O4 -","- C14 H19 N5 O4 -","- C56 H76 N20 O16 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0576","0.0454","","","0.1071","0.1141","","","","","","1.024","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246650","14.056","0.004","7.578","0.003","17.799","0.007","90","","106.96","0.01","90","","1813.4","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (1:0.5)","","- C32 H42 N10 O12 -","- C32 H42 N10 O12 -","- C64 H84 N20 O24 -","2","0.5","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.091","0.0524","","","0.1201","0.1466","","","","","","1.05","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246651","14.012","0.01","7.541","0.006","39.34","0.03","90","","91.659","0.01","90","","4155","5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Famciclovir-fumaric acid (2:2) Form II","","- C36 H46 N10 O16 -","- C36 H46 N10 O16 -","- C144 H184 N40 O64 -","4","1","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.1589","0.0614","","","0.1484","0.2009","","","","","","0.999","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246652","11.439","0.003","13.954","0.003","15.137","0.003","67.808","0.005","86.239","0.004","68.249","0.005","2070.1","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","Famciclovir-fumaric acid (2:2) Form I","","- C18 H23 N5 O8 -","- C18 H23 N5 O8 -","- C72 H92 N20 O32 -","4","2","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0876","0.0526","","","0.1359","0.1669","","","","","","1.019","","","","has coordinates,has disorder","283196","2023-05-05","01:18:10",""
"7246653","9.4819","0.0009","10.0041","0.0008","17.2683","0.0016","83.82","0.004","75.769","0.005","84.708","0.004","1574.9","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Famciclovir monohydrate","","- C14 H21 N5 O5 -","- C14 H21 N5 O5 -","- C56 H84 N20 O20 -","4","2","","Kotte, Lohith; Pendota, Vinusha; Sreedhar, Bojja; Nanubolu, Jagadeesh Babu","Famciclovir–fumaric acid: an all-in-one multicomponent system with salt, cocrystal and salt–cocrystal continuum","CrystEngComm","2023","25","17","2662","2678","10.1039/D3CE00200D","","","0.71073","MoKα","","0.0936","0.0542","","","0.1063","0.1211","","","","","","1.039","","","","has coordinates","283196","2023-05-05","01:18:10",""
"7246654","15.3463","0.0006","6.7602","0.0002","8.0457","0.0003","90","","115.305","0.001","90","","754.6","0.05","296","","301","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F3 Gd2 Na O8 S2 -","- F3 Gd2 Na O8 S2 -","- F12 Gd8 Na4 O32 S8 -","4","0.5","","Yan, Jingdong; Chu, Dongdong; Zhang, Fangfang; Yang, Zhihua; Pan, Shilie; Hou, Xueling","Enhancing birefringence of non-π-conjugated sulfate systems through rare-earth metal-centered polyhedra","CrystEngComm","2023","25","19","2939","2945","10.1039/D3CE00254C","","","0.71073","MoKα","","0.0145","0.0134","","","0.0291","0.0294","","","","","","1.107","","","","has coordinates","284251","2023-06-05","04:20:39",""
"7246655","15.788","0.001","6.9859","0.0004","8.3004","0.0005","90","","115.725","0.002","90","","824.74","0.09","298","","298","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- F3 La2 Na O8 S2 -","- F3 La2 Na O8 S2 -","- F12 La8 Na4 O32 S8 -","4","0.5","","Yan, Jingdong; Chu, Dongdong; Zhang, Fangfang; Yang, Zhihua; Pan, Shilie; Hou, Xueling","Enhancing birefringence of non-π-conjugated sulfate systems through rare-earth metal-centered polyhedra","CrystEngComm","2023","25","19","2939","2945","10.1039/D3CE00254C","","","0.71073","MoKα","","0.0133","0.0131","","","0.033","0.0331","","","","","","1.089","","","","has coordinates","284251","2023-06-05","04:20:39",""
"7246657","10.8674","0.0007","13.4431","0.0008","17.3938","0.0011","87.805","0.002","78.109","0.001","73.839","0.001","2387.8","0.3","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C12 H22 Cr Cu4 Mo6 N14 O32 -","- C12 H22 Cr Cu4 Mo6 N14 O32 -","- C24 H44 Cr2 Cu8 Mo12 N28 O64 -","2","1","","Lu, Jun-Jun; Lin, Hong-Yan; Liu, Qian-Qian; Liu, Xiao-Dong; Wang, Xiu-Li","New pyrimidine-amide-tetrazole ligand derived polyoxometalate-based copper complexes as catalysts for sulfide-sulfoxide transformation and electrochemical sensors","CrystEngComm","2023","25","20","3025","3032","10.1039/D3CE00269A","","x-ray","0.71073","MoKα","K-L~3~","0.0984","0.0516","","","0.0874","0.0997","","","","","","1.015","","","","has coordinates","284260","2023-06-05","04:23:46",""
"7246658","10.6104","0.0019","15.5334","0.0019","14.834","0.002","90","","101.287","0.003","90","","2397.6","0.6","296.15","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 Cu2 Mo4 N7 O17 -","- C6 H9 Cu2 Mo4 N7 O17 -","- C24 H36 Cu8 Mo16 N28 O68 -","4","1","","Lu, Jun-Jun; Lin, Hong-Yan; Liu, Qian-Qian; Liu, Xiao-Dong; Wang, Xiu-Li","New pyrimidine-amide-tetrazole ligand derived polyoxometalate-based copper complexes as catalysts for sulfide-sulfoxide transformation and electrochemical sensors","CrystEngComm","2023","25","20","3025","3032","10.1039/D3CE00269A","","x-ray","0.71073","MoKα","K-L~3~","0.0637","0.0399","","","0.0778","0.086","","","","","","1.013","","","","has coordinates","284260","2023-06-05","04:23:47",""
"7246659","17.1352","0.0004","7.89497","0.00016","14.2824","0.0004","90","","110.302","0.003","90","","1812.12","0.08","293","2","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1","","- C20 H14 F5 N O3 -","- C20 H14 F5 N O3 -","- C80 H56 F20 N4 O12 -","4","1","","Huang, Panyi; Yan, Zhiyang; Ling, Jiaxin; Li, Peixuan; Wang, Jiayang; Li, Jianjun; Sun, Bin; Jin, Can","Catalyst-free intramolecular radical cyclization cascades initiated by the direct homolysis of Csp3–Br under visible light","Green Chemistry","2023","25","10","3989","3994","10.1039/D3GC00304C","","x-ray","1.54184","CuKα","","0.0739","0.0662","","","0.1892","0.1987","","","","","","1.027","","","","has coordinates,has disorder","284280","2023-06-05","04:36:02",""
"7246660","6.4643","0.0002","21.3155","0.0007","11.9798","0.0004","90","","91.899","0.003","90","","1649.79","0.09","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 B O4 -","- C16 H25 B O4 -","- C64 H100 B4 O16 -","4","2","","Huninik, Paweł; Szyling, Jakub; Czapik, Agnieszka; Walkowiak, Jędrzej","Organocatalytic hydroboration of olefins in pyrrolidinium ionic liquids","Green Chemistry","2023","25","9","3715","3722","10.1039/D2GC04163D","","","1.54184","CuKα","","0.0696","0.0686","","","0.1812","0.1823","","","","","","1.07","","","","has coordinates","284282","2023-06-05","04:36:21",""
"7246661","13.1168","0.0009","14.3578","0.0011","11.4115","0.0008","90","","114.778","0.002","90","","1951.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N6 O7 Zn -","- C18 H18 N6 O7 Zn -","- C72 H72 N24 O28 Zn4 -","4","1","","Ke, Hao-Wei; Sung, Kuangsen","7-membered-ring effect on fluorescence quantum yield: does metal-complexation-induced twisting-inhibition of an amino GFP chromophore derivative enhance fluorescence?","Physical chemistry chemical physics : PCCP","2023","25","20","14627","14634","10.1039/d3cp00467h","","","0.71073","MoKα","","0.0352","0.031","","","0.0743","0.0767","","","","","","1.024","","","","has coordinates","284340","2023-06-05","05:00:37",""
"7246662","29.3977","0.0007","12.9915","0.0003","8.0412","0.0002","90","","94.861","0.001","90","","3060.05","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N4 O -","- C18 H18 N4 O -","- C144 H144 N32 O8 -","8","2","","Ke, Hao-Wei; Sung, Kuangsen","7-membered-ring effect on fluorescence quantum yield: does metal-complexation-induced twisting-inhibition of an amino GFP chromophore derivative enhance fluorescence?","Physical chemistry chemical physics : PCCP","2023","25","20","14627","14634","10.1039/d3cp00467h","","","0.71073","MoKα","","0.0596","0.0434","","","0.096","0.1027","","","","","","1.018","","","","has coordinates","284340","2023-06-05","05:00:51",""
"7246664","7.0683","0.0015","8.6879","0.0017","9.462","0.002","111.186","0.008","108.771","0.008","97.407","0.008","492.78","0.18","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C7 H4 N2 O S4 -","- C7 H4 N2 O S4 -","- C14 H8 N4 O2 S8 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0287","0.0274","","","0.0766","0.0787","","","","","","1.029","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246665","14.498","0.0013","7.5276","0.0009","16.6742","0.0017","90","","111.731","0.005","90","","1690.4","0.3","296","2","296","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C12 H10 N2 S8 -","- C12 H10 N2 S8 -","- C48 H40 N8 S32 -","4","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.06","0.0374","","","0.0894","0.1013","","","","","","1.049","","","","has coordinates,has disorder","284253","2023-06-05","04:21:18",""
"7246666","9.19","0.0018","10.0186","0.0017","8.6765","0.0017","90","","98.049","0.007","90","","791","0.3","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C5 H3 N O S4 -","- C5 H3 N O S4 -","- C20 H12 N4 O4 S16 -","4","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0455","0.0385","","","0.0981","0.1036","","","","","","1.167","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246667","19.606","0.004","3.8452","0.0007","20.687","0.004","90","","91.669","0.009","90","","1558.9","0.5","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C5 N2 O S4 -","- C5 N2 O S4 -","- C40 N16 O8 S32 -","8","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0738","0.0571","","","0.1197","0.1257","","","","","","1.09","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246668","6.0133","0.0003","10.3719","0.0007","14.1989","0.0009","84.691","0.002","79.633","0.002","85.606","0.002","865.76","0.09","296","2","296","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C12 H10 N2 S8 -","- C12 H10 N2 S8 -","- C24 H20 N4 S16 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0349","0.0306","","","0.0807","0.0839","","","","","","1.062","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246669","7.1063","0.0015","12.405","0.003","13.462","0.004","100.797","0.012","91.933","0.013","92.39","0.009","1163.7","0.5","150","2","150","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C21 H7 F4 N5 S7 -","- C21 H7 F4 N5 S7 -","- C42 H14 F8 N10 S14 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0589","0.0436","","","0.0899","0.0964","","","","","","1.009","","","","has coordinates,has disorder","284253","2023-06-05","04:21:18",""
"7246670","7.906","0.002","8.704","0.003","11.633","0.003","100.13","0.01","101.742","0.01","113.22","0.01","690.5","0.4","296","2","296","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C9 H7 N S7 -","- C9 H7 N S7 -","- C18 H14 N2 S14 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0319","0.0274","","","0.0687","0.0727","","","","","","1.042","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246671","7.4506","0.0012","8.1175","0.0012","13.345","0.002","73.335","0.005","87.672","0.006","81.049","0.006","763.8","0.2","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C10 H6 N2 S8 -","- C10 H6 N2 S8 -","- C20 H12 N4 S16 -","2","1","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0291","0.0274","","","0.0785","0.0806","","","","","","1.039","","","","has coordinates","284253","2023-06-05","04:21:18",""
"7246672","7.2339","0.001","10.7451","0.0015","13.7344","0.0019","77.886","0.005","87.003","0.005","72.421","0.005","995","0.2","150","2","150","2","","","","","","","synthesis as described","6","P -1","-P 1","2","","","","- C30 H12 F4 I2 N6 S14 -","- C30 H12 F4 I2 N6 S14 -","- C30 H12 F4 I2 N6 S14 -","1","0.5","","Kharraz, Haia; Hachem, Hadi; Le Gal, Yann; Roisnel, Thierry; Jeannin, Olivier; Barrière, Frédéric; Guizouarn, Thierry; Lorcy, Dominique","Non-covalent interactions in neutral and oxidized tetrathiafulvalenes","CrystEngComm","2023","25","19","2946","2958","10.1039/D3CE00257H","","x-ray","0.71073","MoKα","","0.0469","0.0382","","","0.0895","0.094","","","","","","1.081","","","","has coordinates,has disorder","284253","2023-06-05","04:21:18",""
"7246673","11.1792","0.0003","6.3833","0.0001","7.9535","0.0002","90","","104.23","0.003","90","","550.15","0.02","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Ag N S2 -","- C3 H4 Ag N S2 -","- C12 H16 Ag4 N4 S8 -","4","1","","Akiyoshi, Ryohei; Saeki, Akinori; Ogasawara, Kazuyoshi; Yoshikawa, Hirofumi; Nakamura, Yuiga; Tanaka, Daisuke","Selective synthesis of two-dimensional semiconductive coordination polymers with silver–sulfur network","CrystEngComm","2023","25","20","2990","2994","10.1039/D3CE00106G","","x-ray","0.4156","synchrotron","","0.0495","0.0487","","","0.1439","0.1451","","","","","","1.101","","","","has coordinates","284255","2023-06-05","04:21:38",""
"7246674","12.4028","0.0003","10.0914","0.0003","7.3468","0.0002","90","","91.801","0.002","90","","919.08","0.04","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Ag2 F3 N O2 S2 -","- C5 H4 Ag2 F3 N O2 S2 -","- C20 H16 Ag8 F12 N4 O8 S8 -","4","1","","Akiyoshi, Ryohei; Saeki, Akinori; Ogasawara, Kazuyoshi; Yoshikawa, Hirofumi; Nakamura, Yuiga; Tanaka, Daisuke","Selective synthesis of two-dimensional semiconductive coordination polymers with silver–sulfur network","CrystEngComm","2023","25","20","2990","2994","10.1039/D3CE00106G","","x-ray","0.71073","MoKα","","0.0463","0.0357","","","0.0866","0.0918","","","","","","1.031","","","","has coordinates","284255","2023-06-05","04:21:47",""
"7246679","9.521","0.0011","12.027","0.003","12.459","0.002","63.128","0.014","82.674","0.012","72.395","0.015","1212.9","0.4","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C58 H37.89 Cl0.11 N6 O8 S2 -","- C58 H37.888 Cl0.112 N6 O8 S2 -","- C58 H37.888 Cl0.112 N6 O8 S2 -","1","0.5","","Li, Yao; Zhang, Jun; She, Mengyao; Liu, Lang; Yang, Zheng; Liu, Ping; Zhang, Shengyong; Li, Jianli","Electrochemical single-step N-acylation and S-cyclization synthesis of thiazolimide via radical process","Green Chemistry","2023","25","11","4302","4308","10.1039/D3GC00664F","","","1.34138","GaKα","","0.0361","0.0358","","","0.0904","0.0906","","","","","","1.056","","","","has coordinates,has disorder","286151","2023-09-05","19:59:00",""
"7246680","9.279","0.003","11.406","0.002","13.046","0.005","80.4","0.02","80.8","0.03","69.338","0.016","1266.2","0.7","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H23.91 Cl0.09 N2 O2 S -","- C31 H23.915 Cl0.085 N2 O2 S -","- C62 H47.83 Cl0.17 N4 O4 S2 -","2","1","","Li, Yao; Zhang, Jun; She, Mengyao; Liu, Lang; Yang, Zheng; Liu, Ping; Zhang, Shengyong; Li, Jianli","Electrochemical single-step N-acylation and S-cyclization synthesis of thiazolimide via radical process","Green Chemistry","2023","25","11","4302","4308","10.1039/D3GC00664F","","","1.34138","GaKα","","0.046","0.0395","","","0.104","0.1069","","","","","","1.05","","","","has coordinates,has disorder","286151","2023-09-05","19:59:00",""
"7246681","9.907","0.0013","11.5183","0.0016","11.8511","0.001","108.421","0.01","104.16","0.009","99.584","0.012","1199.6","0.3","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C30 H22 N2 O2 S -","- C30 H22 N2 O2 S -","- C60 H44 N4 O4 S2 -","2","1","","Li, Yao; Zhang, Jun; She, Mengyao; Liu, Lang; Yang, Zheng; Liu, Ping; Zhang, Shengyong; Li, Jianli","Electrochemical single-step N-acylation and S-cyclization synthesis of thiazolimide via radical process","Green Chemistry","2023","25","11","4302","4308","10.1039/D3GC00664F","","","1.34138","GaKα","","0.0412","0.0355","","","0.095","0.0983","","","","","","1.053","","","","has coordinates","286151","2023-09-05","19:59:00",""
"7246682","11.803","0.003","12.782","0.002","17.329","0.002","89.118","0.01","81.911","0.012","71.924","0.015","2459.5","0.8","180","","180","","","","","","","","","6","P -1","-P 1","2","","","","- C60 H43.54 Cl0.56 N4 O6 S2 -","- C60 H43.54 Cl0.56 N4 O6 S2 -","- C120 H87.08 Cl1.12 N8 O12 S4 -","2","1","","Li, Yao; Zhang, Jun; She, Mengyao; Liu, Lang; Yang, Zheng; Liu, Ping; Zhang, Shengyong; Li, Jianli","Electrochemical single-step N-acylation and S-cyclization synthesis of thiazolimide via radical process","Green Chemistry","2023","25","11","4302","4308","10.1039/D3GC00664F","","","1.34138","GaKα","","0.0587","0.0427","","","0.0997","0.1071","","","","","","1.031","","","","has coordinates,has disorder","286151","2023-09-05","19:59:00",""
"7246683","11.6265","0.0004","11.6941","0.0006","12.1146","0.0006","73.313","0.002","77.928","0.001","80.047","0.001","1531.64","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4,5-trifluoro-6-nitrobenzene-1,3-diamine 18-crown-6 2:1 cocrystal","","- C24 H32 F6 N6 O10 -","- C24 H32 F6 N6 O10 -","- C48 H64 F12 N12 O20 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0658","0.0437","","","0.1215","0.1448","","","","","","1.011","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246684","14.0576","0.0005","11.0469","0.0003","15.0431","0.0006","90","","111.343","0.002","90","","2175.87","0.13","296","2","296","2","","","","","","","","5","C 1 c 1","C -2yc","9","","4-fluoro-6-nitrobenzene-1,3-diamine 18-crown-6 1:1 cocrystal","","- C18 H30 F N3 O8 -","- C18 H30 F N3 O8 -","- C72 H120 F4 N12 O32 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0472","0.0346","","","0.08","0.0874","","","","","","1.013","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246685","11.4494","0.0006","11.7343","0.0006","12.2027","0.0006","73.603","0.002","77.788","0.002","79.85","0.002","1525.26","0.14","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","2,4-difluoro-6-nitrobenzene-1,3-diamine 18-crown-6 2:1 cocrystal","","- C24 H34 F4 N6 O10 -","- C24 H34 F4 N6 O10 -","- C48 H68 F8 N12 O20 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0674","0.0411","","","0.1127","0.1347","","","","","","0.97","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246686","7.9046","0.0008","9.2505","0.0008","15.7606","0.0016","79.769","0.003","84.623","0.003","78.313","0.004","1108.61","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4-difluoro-6-nitrobenzene-1,3-diamine 18-crown-6 1:1 cocrystal","","- C18 H29 F2 N3 O8 -","- C18 H29 F2 N3 O8 -","- C36 H58 F4 N6 O16 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.082","0.0636","","","0.1754","0.1991","","","","","","1.027","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246687","7.1452","0.0004","13.566","0.0008","7.7555","0.0005","90","","90","","90","","751.75","0.08","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","2,4,5-trifluoro-6-nitrobenzene-1,3-diamine","","- C6 H4 F3 N3 O2 -","- C6 H4 F3 N3 O2 -","- C24 H16 F12 N12 O8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0421","0.033","","","0.096","0.1053","","","","","","1.047","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246688","4.5277","0.0002","11.3347","0.0006","13.835","0.0007","90","","93.899","0.0017","90","","708.37","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-fluoro-6-nitrobenzene-1,3-diamine","","- C6 H6 F N3 O2 -","- C6 H6 F N3 O2 -","- C24 H24 F4 N12 O8 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.048","0.0411","","","0.1123","0.1229","","","","","","1.047","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246689","8.0036","0.0007","9.2934","0.0007","15.7077","0.0012","80.801","0.004","81.339","0.004","78.77","0.004","1122.6","0.16","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","2,4,5-trifluoro-6-nitrobenzene-1,3-diamine 18-crown-6 1:1 cocrystal","","- C18 H28 F3 N3 O8 -","- C18 H28 F3 N3 O8 -","- C36 H56 F6 N6 O16 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.1134","0.0944","","","0.3077","0.3318","","","","","","1.013","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246690","7.6215","0.0004","3.675","0.0002","13.2829","0.0007","90","","104.936","0.002","90","","359.47","0.03","296","2","296","2","","","","","","","","5","P 1 c 1","P -2yc","7","","2,4-difluoro-6-nitrobenzene-1,3-diamine","","- C6 H5 F2 N3 O2 -","- C6 H5 F2 N3 O2 -","- C12 H10 F4 N6 O4 -","2","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0282","0.0257","","","0.0765","0.0792","","","","","","1.035","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246691","13.7751","0.001","11.1808","0.0006","14.7876","0.0011","90","","109.477","0.003","90","","2147.2","0.3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","2,4-diaminenitrobenzene 18-crown-6 1:1 cocrystal","","- C18 H31 N3 O8 -","- C18 H31 N3 O8 -","- C72 H124 N12 O32 -","4","1","","Vaganova, Tamara A.; Gatilov, Yurij V.; Kryuchkova, Natalia A.; Pishchur, Denis P.; Zhukovets, Anastasia A.; Malykhin, Evgenij V.","How does the combination of the nitro group and fluorine atoms affect the (co)crystallization behaviour of arylenediamines?","CrystEngComm","2023","25","22","3284","3298","10.1039/D3CE00327B","","","0.71073","MoKα","","0.0458","0.0403","","","0.1076","0.115","","","","","","0.986","","","","has coordinates","284915","2023-07-05","10:06:42",""
"7246692","19.017","0.004","10.115","0.002","13.08","0.003","90","","97.672","0.008","90","","2493.5","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cd F6 N8 Si -","- C24 H20 Cd F6 N8 Si -","- C96 H80 Cd4 F24 N32 Si4 -","4","0.5","","Wu, Xue; Li, Ding; Xu, Lei; Jiang, Yu-Fei; Zhao, Yue; Zhao, Jing","Construction of Cd(ii)-based metal–organic frameworks incorporating SiF62− as fluorescence sensors for arginine","CrystEngComm","2023","25","21","3222","3228","10.1039/D3CE00302G","","","0.71073","MoKα","","0.0404","0.0328","","","0.1134","0.1293","","","","","","1.017","","","","has coordinates","284270","2023-06-05","04:27:06",""
"7246693","18.5204","0.0011","18.0376","0.001","12.4569","0.0007","90","","125.092","0.002","90","","3405","0.3","193","2","193","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cd F6 N8 Si -","- C24 H20 Cd F6 N8 Si -","- C96 H80 Cd4 F24 N32 Si4 -","4","0.5","","Wu, Xue; Li, Ding; Xu, Lei; Jiang, Yu-Fei; Zhao, Yue; Zhao, Jing","Construction of Cd(ii)-based metal–organic frameworks incorporating SiF62− as fluorescence sensors for arginine","CrystEngComm","2023","25","21","3222","3228","10.1039/D3CE00302G","","","1.34139","GaKα","","0.0733","0.0698","","","0.2575","0.2611","","","","","","1.385","","","","has coordinates","284270","2023-06-05","04:27:09",""
"7246701","10.8682","0.0002","32.7516","0.0008","13.6339","0.0002","90","","98.507","0.001","90","","4799.61","0.16","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 Cu F6 N2 O P3 -","- C54 H44 Cu F6 N2 O P3 -","- C216 H176 Cu4 F24 N8 O4 P12 -","4","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.1035","0.0871","","","0.1739","0.19","","","","","","1.128","","","","has coordinates,has disorder","284257","2023-06-05","04:23:00",""
"7246702","10.8302","0.0004","11.9965","0.0004","17.2894","0.0006","98.862","0.003","95.289","0.003","102.775","0.003","2145.9","0.14","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C50 H40 Cu F6 N2 O P3 -","- C50 H40 Cu F6 N2 O P3 -","- C100 H80 Cu2 F12 N4 O2 P6 -","2","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.115","0.0885","","","0.1749","0.1998","","","","","","0.95","","","","has coordinates","284257","2023-06-05","04:23:01",""
"7246703","10.9817","0.0008","15.119","0.0008","18.478","0.0012","112.459","0.003","93.961","0.003","108.337","0.005","2627.9","0.3","150","","150","","","","","","","","","8","P -1","-P 1","2","","","","- C54.5 H47 Cl3 Cu F6 N2 O P3 -","- C53 H44 Cu F6 N2 O P3 -","- C106 H88 Cu2 F12 N4 O2 P6 -","2","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.1179","0.0889","","","0.1724","0.1935","","","","","","0.995","","","","has coordinates","284257","2023-06-05","04:23:01",""
"7246704","17.0919","0.0003","14.2952","0.0003","20.6426","0.0003","90","","103.521","0.001","90","","4903.86","0.15","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C57 H48 Cu F6 N2 O P3 -","- C57 H48 Cu F6 N2 O P3 -","- C228 H192 Cu4 F24 N8 O4 P12 -","4","1","","Gejsnæs-Schaad, Deyanira; Meyer, Marco; Prescimone, Alessandro; Housecroft, Catherine E.; Constable, Edwin C.","Introducing intramolecular, interligand arene–alkynyl π-interactions into heteroleptic [Cu(N^N)(P^P)]+ complexes","CrystEngComm","2023","25","20","3000","3012","10.1039/D3CE00355H","","x-ray","1.54186","CuKα","","0.0936","0.0829","","","0.1745","0.1846","","","","","","1.013","","","","has coordinates","284257","2023-06-05","04:23:01",""
"7246705","6.6336","0.0001","8.8279","0.0001","10.2569","0.0002","90","","90.9385","0.0012","90","","600.571","0.016","293","","296.68","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B2 Na3 O6 Pr -","- B2 Na3 O6 Pr -","- B8 Na12 O24 Pr4 -","4","1","","Kuznetsov, Artem B.; Jamous, Ammar Y.; Svetlichnyi, Valery A.; Volkov, Sergey N.; Korolkov, Ilya V.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Krzhizhanovskaya, Maria G.; Aksenov, Sergey M.; Kokh, Alexander E.","Growth and characterization of Na3R(BO3)2 (R = La–Gd) borates: crystal structure, high-temperature behavior, and optical properties","CrystEngComm","2023","25","19","2914","2924","10.1039/D3CE00248A","","x-ray","0.71073","MoKα","","0.0196","0.0182","","","0.0257","0.0261","","","","1.7","1.7","1.68","","","","has coordinates","284254","2023-06-05","04:21:28",""
"7246706","6.5247","0.0001","8.7309","0.0001","10.1447","0.0001","90","","90.8656","0.0011","90","","577.842","0.012","293","","294.7","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- B2 Gd Na3 O6 -","- B2 Gd Na3 O6 -","- B8 Gd4 Na12 O24 -","4","1","","Kuznetsov, Artem B.; Jamous, Ammar Y.; Svetlichnyi, Valery A.; Volkov, Sergey N.; Korolkov, Ilya V.; Kokh, Konstantin A.; Gorelova, Liudmila A.; Krzhizhanovskaya, Maria G.; Aksenov, Sergey M.; Kokh, Alexander E.","Growth and characterization of Na3R(BO3)2 (R = La–Gd) borates: crystal structure, high-temperature behavior, and optical properties","CrystEngComm","2023","25","19","2914","2924","10.1039/D3CE00248A","","x-ray","0.71073","MoKα","","0.0169","0.0156","","","0.0217","0.0223","","","","1.45","1.45","1.44","","","","has coordinates","284254","2023-06-05","04:21:28",""
"7246707","4.3315","0.0004","18.5293","0.0017","21.324","0.002","90","","93.751","0.004","90","","1707.8","0.3","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Br N2 O -","- C22 H15 Br N2 O -","- C88 H60 Br4 N8 O4 -","4","1","","Manoharan, Deepak; Ahmad, Shamim; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Stress and light sensitive dual-mechanical property of acylhydrazone crystal","CrystEngComm","2023","25","21","3237","3244","10.1039/D3CE00296A","","","0.71073","MoKα","","0.0624","0.0425","","","0.1017","0.1149","","","","","","1.038","","","","has coordinates","284272","2023-06-05","04:28:09",""
"7246708","14.2948","0.0008","8.5708","0.0004","15.3612","0.0008","90","","95.345","0.005","90","","1873.84","0.17","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N2 O3 S -","- C21 H18 N2 O3 S -","- C84 H72 N8 O12 S4 -","4","1","","Zhong, Qiang; Wang, Pei-Long; Gao, Hui; Ma, Fang; Yang, Youqing; Li, Hongji","Electrochemical intramolecular N(sp2)–H/N(sp3)–H coupling for the synthesis of 1H-indazoles","Green Chemistry","2023","25","10","3982","3988","10.1039/D3GC00380A","","","0.71073","MoKα","","0.0838","0.0517","","","0.1545","0.1746","","","","","","1.026","","","","has coordinates","284278","2023-06-05","04:35:43",""
"7246709","11.349","0.008","10.096","0.007","15.893","0.011","90","0.03","97.84","0.04","90","0.03","1804","2","273.15","","273.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N3 O2 S -","- C20 H18 N2 O2 S -","- C80 H72 N8 O8 S4 -","4","1","","Zhong, Qiang; Wang, Pei-Long; Gao, Hui; Ma, Fang; Yang, Youqing; Li, Hongji","Electrochemical intramolecular N(sp2)–H/N(sp3)–H coupling for the synthesis of 1H-indazoles","Green Chemistry","2023","25","10","3982","3988","10.1039/D3GC00380A","","","0.71073","MoKα","","0.0501","0.0418","","","0.1142","0.1207","","","","","","1.025","","","","has coordinates","284278","2023-06-05","04:35:46",""
"7246710","7.7814","0.0012","10.0144","0.0012","15.979","0.002","87.193","0.007","77.808","0.007","69.864","0.007","1142.3","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C48 H56 N4 O12 -","2","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0686","0.0593","","","0.1876","0.1971","","","","","","1.043","","","","has coordinates","284271","2023-06-05","04:27:45",""
"7246711","7.2548","0.0005","9.0844","0.0006","9.5457","0.0005","99.864","0.003","99.082","0.003","107.888","0.003","574.8","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 N O3 -","- C12 H14 N O3 -","- C24 H28 N2 O6 -","2","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0465","0.0443","","","0.1235","0.1264","","","","","","1.065","","","","has coordinates","284271","2023-06-05","04:27:55",""
"7246712","9.931","0.0007","10.0681","0.0006","12.1027","0.0008","90","","99.78","0.004","90","","1192.52","0.14","298","2","298","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C24 H28 N2 O7 -","- C24 H28 N2 O7 -","- C48 H56 N4 O14 -","2","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0472","0.0404","","","0.1043","0.1108","","","","","","1.04","","","","has coordinates","284271","2023-06-05","04:27:57",""
"7246713","10.2189","0.0006","13.8655","0.001","16.3778","0.001","90","","93.473","0.003","90","","2316.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 O6 -","- C24 H28 N2 O6 -","- C96 H112 N8 O24 -","4","1","","Acebedo-Martínez, Francisco Javier; Domínguez-Martín, Alicia; Alarcón-Payer, Carolina; Frontera, Antonio; Ibáñez, Ángel; Choquesillo-Lazarte, Duane","Evaluation of synthon influence on ethenzamide–polyphenol pharmaceutical cocrystals","CrystEngComm","2023","25","21","3150","3163","10.1039/D3CE00234A","","","1.54178","CuKα","","0.0447","0.0395","","","0.1139","0.1208","","","","","","1.064","","","","has coordinates","284271","2023-06-05","04:28:01",""
"7246714","21.6511","0.0017","6.9602","0.0006","5.9635","0.0005","90","","90","","90","","898.68","0.13","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,4-diazabicyclo[2,2,2]octane iodine chloride","","- C6 H12 Cl0.95 I1.05 N2 -","- C6 H12 Cl0.9528 I1.0472 N2 -","- C24 H48 Cl3.8112 I4.1888 N8 -","4","0.5","","Torubaev, Yury V.; Howe, Devin; Leitus, Gregory; Rosokha, Sergiy V.","The relationship between the crystal habit and the energy framework pattern: a case study involving halogen bonding on the edge of a covalent bond","CrystEngComm","2023","25","23","3380","3390","10.1039/D3CE00316G","","","0.71073","MoKα","","0.049","0.0291","","","0.0563","0.0608","","","","","","1.046","","","","has coordinates","284921","2023-07-05","10:09:27",""
"7246715","21.6028","0.0009","7.1603","0.0003","5.9684","0.0002","90","","90","","90","","923.21","0.06","100","","100","","","","","","","","","5","P n m a","-P 2ac 2n","62","","1,4-diazabicyclo[2,2,2]octane iodine bromide","","- C6 H12 Br0.96 I0.98 N2 -","- C6 H12 Br0.957 I0.983 N2 -","- C24 H48 Br3.828 I3.932 N8 -","4","0.5","","Torubaev, Yury V.; Howe, Devin; Leitus, Gregory; Rosokha, Sergiy V.","The relationship between the crystal habit and the energy framework pattern: a case study involving halogen bonding on the edge of a covalent bond","CrystEngComm","2023","25","23","3380","3390","10.1039/D3CE00316G","","","0.71073","MoKα","","0.0157","0.0141","","","0.0284","0.0287","","","","","","1.105","","","","has coordinates","284921","2023-07-05","10:09:27",""
"7246716","29.742","0.003","4.0442","0.0004","21.075","0.002","90","","114.857","0.003","90","","2300.1","0.4","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","phenazine iodine bromide","","- C12 H8 Br I N2 -","- C12 H8 Br I N2 -","- C96 H64 Br8 I8 N16 -","8","1","","Torubaev, Yury V.; Howe, Devin; Leitus, Gregory; Rosokha, Sergiy V.","The relationship between the crystal habit and the energy framework pattern: a case study involving halogen bonding on the edge of a covalent bond","CrystEngComm","2023","25","23","3380","3390","10.1039/D3CE00316G","","","0.71073","MoKα","","0.061","0.0403","","","0.0788","0.0864","","","","","","1.037","","","","has coordinates","284921","2023-07-05","10:09:27",""
"7246729","3.9875","0.0002","15.785","0.001","13.2012","0.0009","90","","96.532","0.002","90","","825.53","0.09","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C4 H5 Br2 Cu N O S -","- C4 H5 Br2 Cu N O S -","- C16 H20 Br8 Cu4 N4 O4 S4 -","4","1","","Coetzee, Stefan; Turnbull, Mark M.; Landee, Christopher P.; Monroe, Jeffrey C.; Deumal, Mercè; Novoa, Juan J.; Rademeyer, Melanie","Satellite ligand effects on magnetic exchange in dimers. A structural, magnetic and theoretical investigation of Cu<sub>2</sub>L<sub>2</sub>X<sub>4</sub> (L = methylisothiazolinone and X = Cl<sup>-</sup>, Br<sup>-</sup>).","Physical chemistry chemical physics : PCCP","2023","25","13","9176","9187","10.1039/d2cp05629a","","","0.71073","MoKα","","0.0264","0.0237","","","0.0583","0.0593","","","","","","1.186","","","","has coordinates","282993","2023-05-04","18:56:17",""
"7246730","6.8819","0.0004","18.2382","0.001","8.3735","0.0005","90","","101.22","0.002","90","","1030.9","0.1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 N3 O -","- C24 H25 N3 O -","- C48 H50 N6 O2 -","2","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0401","0.0346","","","0.0796","0.0839","","","","","","1.048","","","","has coordinates","284914","2023-07-05","10:06:10",""
"7246731","19.673","0.007","7.589","0.002","27.281","0.007","90","","90","","90","","4073","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 F N3 O -","- C24 H24 F N3 O -","- C192 H192 F8 N24 O8 -","8","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.1827","0.0749","","","0.1566","0.2194","","","","","","1.034","","","","has coordinates","284914","2023-07-05","10:06:14",""
"7246732","21.3712","0.0007","10.6818","0.0003","19.0014","0.0006","90","","97.424","0.001","90","","4301.3","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br N3 O -","- C24 H24 Br N3 O -","- C192 H192 Br8 N24 O8 -","8","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0826","0.0503","","","0.1295","0.1504","","","","","","1.042","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246733","10.7226","0.0008","13.7126","0.0011","14.8083","0.0013","90","","93.229","0.003","90","","2173.9","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H24 Cl N3 O -","- C24 H24 Cl N3 O -","- C96 H96 Cl4 N12 O4 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0829","0.0486","","","0.1063","0.1262","","","","","","1.033","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246734","15.3952","0.001","31.5081","0.0017","9.8531","0.0006","90","","90","","90","","4779.5","0.5","293","2","293","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C25 H27 N3 O -","- C25 H27 N3 O -","- C200 H216 N24 O8 -","8","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.1147","0.0641","","","0.1607","0.1887","","","","","","1.03","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246735","11.0228","0.0014","11.0661","0.0013","19.024","0.003","80.438","0.004","87.096","0.004","85.625","0.004","2279.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H27 N3 O3 -","- C26 H27 N3 O3 -","- C104 H108 N12 O12 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0693","0.0479","","","0.1174","0.1338","","","","","","1.05","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246736","9.4961","0.0003","16.3124","0.0005","17.0312","0.0006","75.852","0.001","84.434","0.001","78.983","0.001","2507.53","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 F6 N3 O -","- C26 H23 F6 N3 O -","- C104 H92 F24 N12 O4 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0811","0.0499","","","0.1192","0.1418","","","","","","1.032","","","","has coordinates,has disorder","284914","2023-07-05","10:06:17",""
"7246737","10.8627","0.0003","10.9176","0.0003","10.9887","0.0004","80.548","0.001","87.969","0.001","61.512","0.001","1128.47","0.06","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H29 N3 O -","- C26 H29 N3 O -","- C52 H58 N6 O2 -","2","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0733","0.0566","","","0.1564","0.1747","","","","","","1.048","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246738","7.8031","0.0003","10.8097","0.0004","13.6803","0.0005","104.082","0.001","92.947","0.001","108.109","0.001","1053.66","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N4 O -","- C25 H24 N4 O -","- C50 H48 N8 O2 -","2","1","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0743","0.0577","","","0.154","0.1689","","","","","","1.061","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246739","10.73","0.0009","13.6341","0.001","14.815","0.0014","90","","90.254","0.003","90","","2167.3","0.3","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N4 O3 -","- C24 H24 N4 O3 -","- C96 H96 N16 O12 -","4","2","","Liu, Miaochang; Xu, Xinyue; Chen, Yating; Ding, Qiuping; Lei, Yunxiang; Wu, Huayue; Huang, Xiaobo","Crystal structures, dual-state emissions and polymer-based doped room-temperature phosphorescence of 8-benzyloxyisoquinoline derivatives","CrystEngComm","2023","25","22","3264","3270","10.1039/D3CE00231D","","","0.71073","MoKα","","0.0792","0.0487","","","0.1011","0.1224","","","","","","1.071","","","","has coordinates","284914","2023-07-05","10:06:17",""
"7246740","10.468","0.004","5.3181","0.0019","12.162","0.005","90","","104.68","0.04","90","","655","0.5","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H11 N O3 -","- C5 H11 N O3 -","- C20 H44 N4 O12 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0903","0.0513","","","0.1209","0.1395","","","","","","1.053","","","","has coordinates,has disorder","284258","2023-06-05","04:23:23",""
"7246741","11.8318","0.0007","5.8252","0.0003","13.9008","0.0008","90","","113.879","0.007","90","","876.07","0.1","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 Cl N2 O5 -","- C16 H21 Cl N2 O5 -","- C32 H42 Cl2 N4 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0659","0.0581","","","0.1563","0.162","","","","","","1.068","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246742","11.2568","0.0008","5.7371","0.0003","22.5561","0.0018","90","","103.029","0.008","90","","1419.2","0.17","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C56 H76 N4 O20 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1258","0.0809","","","0.1781","0.199","","","","","","1.096","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246743","8.4198","0.0011","5.8428","0.0007","8.6049","0.0009","90","","91.92","0.011","90","","423.08","0.09","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C9 H10 O3 -","- C9 H10 O3 -","- C18 H20 O6 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0352","0.0325","","","0.0822","0.0834","","","","","","1.082","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246744","7.737","0.0014","10.7279","0.0012","11.583","0.002","63.137","0.016","86.083","0.015","84.134","0.013","852.9","0.3","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H21 Cl N2 O5 -","- C16 H21 Cl N2 O5 -","- C32 H42 Cl2 N4 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0438","0.0405","","","0.1019","0.1045","","","","","","1.048","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246745","10.1357","0.0007","17.1919","0.0016","9.1265","0.0007","90","","90","","90","","1590.3","0.2","297","2","297","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0779","0.0567","","","0.1433","0.1544","","","","","","1.053","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246746","5.7579","0.0008","19.399","0.003","27.176","0.003","90","","90.64","0.012","90","","3035.3","0.7","297","2","297","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C15 H19 N O6 -","- C15 H19 N O6 -","- C120 H152 N8 O48 -","8","2","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1125","0.0819","","","0.1907","0.2203","","","","","","1.099","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7246747","7.0457","0.0014","8.2146","0.0009","13.342","0.003","106.407","0.014","90.268","0.016","106.101","0.014","708.8","0.2","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Cl N O5 -","- C13 H16 Cl N O5 -","- C26 H32 Cl2 N2 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0782","0.0577","","","0.1343","0.1441","","","","","","1.059","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246748","10.4273","0.0003","9.0611","0.0003","30.1865","0.001","90","","90","","90","","2852.11","0.16","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H19 N O5 -","- C14 H19 N O5 -","- C112 H152 N8 O40 -","8","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0714","0.0531","","","0.135","0.1453","","","","","","1.038","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246749","9.4241","0.0007","37.399","0.002","10.4169","0.0011","90","","90.501","0.008","90","","3671.3","0.5","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C144 H216 N8 O32 -","8","2","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0994","0.0611","","","0.141","0.1631","","","","","","1.065","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246750","5.9135","0.0003","18.547","0.0009","31.3947","0.0016","90","","94.307","0.005","90","","3433.6","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 F2 N2 O6 -","- C38 H40 F2 N2 O6 -","- C152 H160 F8 N8 O24 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1154","0.0707","","","0.1271","0.1414","","","","","","1.143","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246751","11.8613","0.0014","5.7602","0.0007","13.2858","0.0014","90","","110.458","0.012","90","","850.48","0.18","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H21 F N2 O5 -","- C16 H21 F N2 O5 -","- C32 H42 F2 N4 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1045","0.0642","","","0.1171","0.1298","","","","","","1.077","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246752","9.8806","0.0018","9.6156","0.0019","25.364","0.006","90","","90","","90","","2409.8","0.9","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H17 N O6 -","- C10 H17 N O6 -","- C80 H136 N8 O48 -","8","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1073","0.0819","","","0.1632","0.1773","","","","","","1.151","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246753","7.406","0.005","8.459","0.002","12.281","0.007","102.89","0.04","101.66","0.06","103.44","0.04","702.8","0.7","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 F N O5 -","- C13 H16 F N O5 -","- C26 H32 F2 N2 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1647","0.0706","","","0.1209","0.1526","","","","","","1.002","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246754","7.0962","0.0013","8.306","0.002","12.12","0.003","103.74","0.02","99.82","0.018","105.63","0.02","646.9","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N O5 -","- C13 H17 N O5 -","- C26 H34 N2 O10 -","2","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.0715","0.059","","","0.1638","0.174","","","","","","1.068","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246755","16.6605","0.0013","9.1572","0.0005","11.4407","0.0008","90","","109.81","0.008","90","","1642.1","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 Cl O3 -","- C8 H7 Cl O3 -","- C64 H56 Cl8 O24 -","8","2","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.1053","0.0685","","","0.1778","0.1993","","","","","","1.062","","","","has coordinates,has disorder","284258","2023-06-05","04:23:25",""
"7246756","12.591","0.002","8.7414","0.0012","12.6758","0.0014","90","","104.824","0.014","90","","1348.7","0.3","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F N O5 -","- C13 H16 F N O5 -","- C52 H64 F4 N4 O20 -","4","1","","Zhou, Fuli; Body, Carole; Robeyns, Koen; Leyssens, Tom; Shemchuk, Oleksii","On the pairwise cocrystallization of racemic compounds","CrystEngComm","2023","25","20","3060","3065","10.1039/D3CE00226H","","","0.71073","MoKα","","0.07","0.0526","","","0.119","0.1267","","","","","","1.131","","","","has coordinates","284258","2023-06-05","04:23:25",""
"7246757","15.3557","0.0007","24.0251","0.001","27.6817","0.0011","90","","90","","90","","10212.4","0.7","150","2","150","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","decaphenylbiphenyl","","- C72 H50 -","- C72 H50 -","- C576 H400 -","8","1","","R A C Lima, Carlos F; Mague, Joel T.; Du, Yuchen; Pascal, Jr, Robert A; Santos, Luís M N B F","How great is the stabilization of crowded polyphenylbiphenyls by London dispersion?","Physical chemistry chemical physics : PCCP","2023","25","19","13359","13375","10.1039/d2cp05085d","","","1.54178","CuKα","","0.0986","0.0538","","","0.1202","0.1443","","","","","","1.029","","","","has coordinates","284339","2023-06-05","05:00:15",""
"7246758","11.0348","0.0005","11.8689","0.0005","23.7364","0.001","87.797","0.002","87.113","0.002","65.626","0.002","2827.6","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","decaphenylbiphenyl nitrobenzene solvate","","- C78 H55 N O2 -","- C78 H55 N O2 -","- C156 H110 N2 O4 -","2","1","","R A C Lima, Carlos F; Mague, Joel T.; Du, Yuchen; Pascal, Jr, Robert A; Santos, Luís M N B F","How great is the stabilization of crowded polyphenylbiphenyls by London dispersion?","Physical chemistry chemical physics : PCCP","2023","25","19","13359","13375","10.1039/d2cp05085d","","","1.54178","CuKα","","0.0992","0.0672","","","0.1393","0.159","","","","","","1.056","","","","has coordinates,has disorder","284339","2023-06-05","05:00:16",""
"7246759","11.0605","0.0003","11.8611","0.0003","23.6616","0.0006","88.391","0.001","86.937","0.001","65.319","0.001","2816.5","0.13","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","decaphenylbiphenyl toluene solvate","","- C79 H58 -","- C79 H58 -","- C158 H116 -","2","1","","R A C Lima, Carlos F; Mague, Joel T.; Du, Yuchen; Pascal, Jr, Robert A; Santos, Luís M N B F","How great is the stabilization of crowded polyphenylbiphenyls by London dispersion?","Physical chemistry chemical physics : PCCP","2023","25","19","13359","13375","10.1039/d2cp05085d","","","1.54178","CuKα","","0.086","0.0661","","","0.1358","0.1494","","","","","","1.101","","","","has coordinates,has disorder","284339","2023-06-05","05:00:16",""
"7246760","14.9441","0.0005","15.009","0.0005","24.0523","0.0008","93.926","0.001","104.887","0.001","91.282","0.001","5197","0.3","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","Decaphenylbiphenyl","","- C72 H50 -","- C72 H50 -","- C288 H200 -","4","2","","R A C Lima, Carlos F; Mague, Joel T.; Du, Yuchen; Pascal, Jr, Robert A; Santos, Luís M N B F","How great is the stabilization of crowded polyphenylbiphenyls by London dispersion?","Physical chemistry chemical physics : PCCP","2023","25","19","13359","13375","10.1039/d2cp05085d","","","0.71073","MoKα","","0.1027","0.051","","","0.1103","0.1323","","","","","","1.031","","","","has coordinates","284339","2023-06-05","05:00:16",""
"7246761","15.7967","0.0003","11.6889","0.0002","9.4813","0.0002","90","","97.276","0.002","90","","1736.59","0.06","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","ï?1/2hiral trans(+)N,N'-bis-(salicylidene)-1,2-diaminocyclohexane Schif base","","- C20 H22 N2 O2 -","- C20 H22 N2 O2 -","- C80 H88 N8 O8 -","4","1","","Lakhani, Pratikkumar; Chodvadiya, Darshil; Jha, Prafulla K.; Gupta, Vivek Kumar; Trzybiński, Damian; Wozniak, Krzysztof; Kurzydłowski, Krzysztof; Goutam, U. K.; Srivastava, Himanshu; Modi, Chetan K.","DFT stimulation and experimental insights of chiral Cu(II)-salen scaffold within the pocket of MWW-zeolite and its catalytic study.","Physical chemistry chemical physics : PCCP","2023","25","20","14374","14386","10.1039/d3cp00857f","","x-ray","1.54184","CuKα","","0.0317","0.0311","","","0.0767","0.0773","","","","","","1.037","","","","has coordinates","284341","2023-06-05","05:00:58",""
"7246762","10.2581","0.0009","10.4004","0.0009","26.808","0.002","79.118","0.002","80.982","0.002","89.642","0.002","2773.1","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 N2 -","- C17 H16 N2 -","- C136 H128 N16 -","8","4","","Nakanishi, W.; Matsushita, Y.; Takeuchi, M.; Sagisaka, K.","Dipole-moment-induced supramolecular assembly of a donor-acceptor-type molecule on a metal surface and in a crystal.","Physical chemistry chemical physics : PCCP","2023","25","19","13702","13707","10.1039/d2cp05982g","","","0.71073","MoKα","","0.1567","0.0652","","","0.1374","0.1865","","","","","","0.891","","","","has coordinates","284338","2023-06-05","04:59:55",""
"7246767","8.5539","0.0004","11.9045","0.0005","14.8119","0.0007","95.587","0.001","101.681","0.001","107.046","0.001","1392.25","0.11","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 Cu2 N6 O14 -","- C22 H28 Cu2 N6 O14 -","- C44 H56 Cu4 N12 O28 -","2","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0754","0.0512","","","0.1317","0.1456","","","","","","1.052","","","","has coordinates,has disorder","284919","2023-07-05","10:08:41",""
"7246768","9.2018","0.0007","10.6192","0.0006","12.7553","0.0009","90","","93.716","0.002","90","","1243.77","0.15","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 Cu3 N6 O12 -","- C22 H22 Cu3 N6 O12 -","- C44 H44 Cu6 N12 O24 -","2","0.5","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0783","0.0427","","","0.0866","0.0984","","","","","","1.03","","","","has coordinates","284919","2023-07-05","10:08:44",""
"7246769","10.1143","0.001","11.1349","0.0011","14.8056","0.0016","107.017","0.004","109.383","0.004","93.002","0.003","1483.3","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H48 Cu4 N16 O28 -","- C54 H48 Cu4 N16 O28 -","- C54 H48 Cu4 N16 O28 -","1","0.5","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0647","0.0517","","","0.1376","0.1476","","","","","","1.017","","","","has coordinates","284919","2023-07-05","10:08:47",""
"7246770","7.5089","0.001","10.85","0.0012","26.819","0.004","90","","90.841","0.004","90","","2184.8","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cu2 N6 O8 -","- C22 H16 Cu2 N6 O8 -","- C88 H64 Cu8 N24 O32 -","4","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.1705","0.0744","","","0.1278","0.1598","","","","","","1.029","","","","has coordinates","284919","2023-07-05","10:08:50",""
"7246771","13.8496","0.0003","12.6696","0.0003","17.0775","0.0003","90","","96.397","0.001","90","","2977.91","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H32 Cu2 N6 O16 -","- C22 H32 Cu2 N6 O16 -","- C88 H128 Cu8 N24 O64 -","4","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.0486","0.0342","","","0.0792","0.0861","","","","","","1.024","","","","has coordinates","284919","2023-07-05","10:08:50",""
"7246772","10.5315","0.0003","15.0888","0.0005","21.2924","0.0007","74.155","0.001","86.294","0.001","81.889","0.001","3221.19","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H67 Cu4 N17 O17 -","- C55 H67 Cu4 N17 O17 -","- C110 H134 Cu8 N34 O34 -","2","1","","Klongdee, Fatima; Chainok, Kittipong; Youngme, Sujittra; Boonmak, Jaursup","Variations in the structural composition of pyrazole-3,5-dicarboxylato Cu(ii) complexes with 1,2-di(4-pyridyl)ethane synthesized under different conditions","CrystEngComm","2023","25","25","3628","3636","10.1039/D3CE00384A","","","0.71073","MoKα","","0.1004","0.0629","","","0.1136","0.1271","","","","","","1.066","","","","has coordinates","284919","2023-07-05","10:08:50",""
"7246773","7.7218","0.0002","8.491","0.0002","13.0382","0.0003","90","","90","","90","","854.86","0.04","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54184","CuKα","","0.0225","0.0219","","","0.0549","0.0552","","","","","","1.054","","","","has coordinates","284979","2023-07-05","11:03:34",""
"7246774","6.105","0.0002","7.4158","0.0002","21.1354","0.0006","90","","90","","90","","956.87","0.05","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H16 O7 -","- C7 H16 O7 -","- C28 H64 O28 -","4","1","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54184","CuKα","","0.0208","0.0206","","","0.0547","0.0548","","","","","","1.099","","","","has coordinates","284979","2023-07-05","11:03:37",""
"7246775","5.2396","0.0004","11.2244","0.0007","14.6702","0.001","90","","90","","90","","862.77","0.1","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54178","CuKα","","0.0258","0.0258","","","0.0676","0.0677","","","","","","1.126","","","","has coordinates","284979","2023-07-05","11:03:38",""
"7246776","5.2406","0.0002","11.2187","0.0004","14.6715","0.0006","90","","90","","90","","862.58","0.06","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54178","CuKα","","0.026","0.0258","","","0.068","0.0682","","","","","","1.11","","","","has coordinates","284979","2023-07-05","11:03:38",""
"7246777","7.3491","0.0002","7.3491","0.0002","34.1307","0.0012","90","","90","","90","","1843.37","0.1","120","2","120","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C14 H30 O13 -","- C14 H30 O13 -","- C56 H120 O52 -","4","0.5","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54184","CuKα","","0.0215","0.0213","","","0.0577","0.0579","","","","","","1.099","","","","has coordinates","284979","2023-07-05","11:03:38",""
"7246778","7.3472","0.0002","7.3472","0.0002","34.1458","0.0012","90","","90","","90","","1843.24","0.1","120","2","120","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C7 H15 O6.5 -","- C7 H15 O6.5 -","- C56 H120 O52 -","8","1","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54178","CuKα","","0.0255","0.0217","","","0.0583","0.0586","","","","","","1.092","","","","has coordinates","284979","2023-07-05","11:03:38",""
"7246779","9.262","0.0002","9.3748","0.0002","9.9796","0.0003","90","","90","","90","","866.52","0.04","127","2","127","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C7 H14 O6 -","- C7 H14 O6 -","- C28 H56 O24 -","4","1","","Tetrault, Timothy; Meredith, Reagan J.; Yoon, Mi-Kyung; Canizares, Christopher; Oliver, Allen G.; Carmichael, Ian; Serianni, Anthony S.","One-bond <sup>13</sup>C-<sup>13</sup>C spin-coupling constants in saccharides: a comparison of experimental and calculated values by density functional theory using solid-state <sup>13</sup>C NMR and X-ray crystallography.","Physical chemistry chemical physics : PCCP","2023","25","23","16048","16059","10.1039/d2cp05363b","","","1.54178","CuKα","","0.0213","0.0213","","","0.054","0.054","","","","","","1.147","","","","has coordinates","284979","2023-07-05","11:03:38",""
"7246781","12.1553","0.0005","8.8076","0.0003","22.304","0.0007","90","","94.608","0.003","90","","2380.13","0.15","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H28.33 N4 O8.16 -","- C23 H28.326 N4 O8.163 -","- C92 H113.304 N16 O32.652 -","4","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","","0.71073","MoKα","","0.0532","0.0425","","","0.1034","0.1115","","","","","","1.023","","","","has coordinates,has disorder","284924","2023-07-05","10:12:30",""
"7246782","7.0878","0.0006","7.5969","0.0007","18.9464","0.0014","91.152","0.007","98.566","0.007","103.763","0.008","978.19","0.15","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N6 O7 -","- C19 H22 N6 O7 -","- C38 H44 N12 O14 -","2","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","x-ray","0.71073","MoKα","","0.1172","0.0757","","","0.1892","0.2146","","","","","","1.055","","","","has coordinates","284924","2023-07-05","10:12:33",""
"7246783","7.0172","0.0003","28.2186","0.0013","10.7877","0.0005","90","","103.469","0.005","90","","2077.38","0.17","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 N4 O7 -","- C21 H24 N4 O7 -","- C84 H96 N16 O28 -","4","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","","0.71073","MoKα","","0.1104","0.0659","","","0.1345","0.1671","","","","","","1.04","","","","has coordinates","284924","2023-07-05","10:12:35",""
"7246784","25.4626","0.0013","9.2831","0.0004","19.554","0.0011","90","","111.922","0.006","90","","4287.8","0.4","113.15","","113.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","TMP-26HBA","","- C21 H24 N4 O7 -","- C21 H24 N4 O7 -","- C168 H192 N32 O56 -","8","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","x-ray","0.71073","MoKα","","0.1035","0.0603","","","0.1291","0.1585","","","","","","1.059","","","","has coordinates","284924","2023-07-05","10:12:36",""
"7246785","11.2636","0.001","20.7045","0.0013","12.0759","0.0011","90","","117.535","0.011","90","","2497.2","0.4","113.15","","113.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","TMP-GA-2MeOH","","- C23 H32 N4 O10 -","- C23 H32 N4 O10 -","- C92 H128 N16 O40 -","4","1","","Hu, Xingchen; Xiao, Yuntian; Qi, Luguang; Bai, Yunhe; Sun, Ying; Ye, Yang; Xie, Chuang","Enhancing the dissolution and bacteriostatic activity of trimethoprim through salt formation","CrystEngComm","2023","25","23","3445","3459","10.1039/D3CE00128H","","x-ray","0.71073","MoKα","","0.0862","0.056","","","0.1255","0.1473","","","","","","1.054","","","","has coordinates","284924","2023-07-05","10:12:36",""
"7246786","12.2681","0.0013","34.536","0.004","9.8498","0.0013","90","","100.837","0.005","90","","4098.8","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nilutamide Form IV","","","- C12 H10 F3 N3 O4 -","- C12 H10 F3 N3 O4 -","- C144 H120 F36 N36 O48 -","12","3","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.2044","0.0732","","","0.1279","0.175","","","","","","1.031","","","","has coordinates,has disorder","284913","2023-07-05","10:05:32",""
"7246787","7.1966","0.0005","16.2038","0.0012","22.6209","0.0015","90","","94.633","0.002","90","","2629.3","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Nilutamide- Form V","","","- C12 H10 F3 N3 O4 -","- C12 H10 F3 N3 O4 -","- C96 H80 F24 N24 O32 -","8","2","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.1122","0.044","","","0.0851","0.107","","","","","","1.001","","","","has coordinates","284913","2023-07-05","10:05:33",""
"7246788","10.2797","0.001","11.1802","0.0011","13.2382","0.0013","86.915","0.003","73.762","0.003","68.854","0.003","1360.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","Nilutamide Hydrate (1:0.57)","","","- C12 H10.57 F3 N3 O4.29 -","- C12 H10.57 F3 N3 O4.285 -","- C48 H42.28 F12 N12 O17.14 -","4","2","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.0667","0.0395","","","0.0902","0.1021","","","","","","1.023","","","","has coordinates","284913","2023-07-05","10:05:33",""
"7246789","7.3886","0.0005","12.2118","0.0008","20.8355","0.0013","90","","98.845","0.003","90","","1857.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Nilutamide-Adenine cocrystal","","","- C17 H15 F3 N8 O4 -","- C17 H15 F3 N8 O4 -","- C68 H60 F12 N32 O16 -","4","1","","Prashanth, Jupally; Surov, Artem O.; Drozd, Ksenia V.; Perlovich, German L.; Balasubramanian, Sridhar","Polymorphs, cocrystal and hydrate of nilutamide","CrystEngComm","2023","25","24","3501","3513","10.1039/D3CE00328K","","","0.71073","MoKα","","0.0751","0.0704","","","0.1671","0.1691","","","","","","1.167","","","","has coordinates,has disorder","284913","2023-07-05","10:05:33",""
"7246790","19.756","0.0004","19.756","0.0004","20.2456","0.0004","90","","90","","120","","6843.2","0.2","93","2","93","2","","","","","","","","6","P -3 c 1","-P 3 2""c","165","","[Cu(PPh2Et)2bcp(PF6)]","","- C27 H23 Cu0.5 F3 N P1.5 -","- C27 H23 Cu0.5 F3 N P1.5 -","- C324 H276 Cu6 F36 N12 P18 -","12","1","","Sanga, Masashi; Nakamura, Kosuke; Iwamura, Munetaka; Nozaki, Koichi; Takeda, Hiroyuki; Monma, Yu; Ishitani, Osamu","Structural change dynamics of heteroleptic Cu(I) complexes observed by ultrafast emission spectroscopy.","Physical chemistry chemical physics : PCCP","2023","25","23","15873","15884","10.1039/d3cp01473h","","","1.54184","CuKα","","0.0409","0.0395","","","0.1003","0.1012","","","","","","1.105","","","","has coordinates","284978","2023-07-05","11:03:12",""
"7246797","20.777","0.003","10.2704","0.0015","16.306","0.002","90","","105.52","0.005","90","","3352.6","0.8","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.03","0.0251","","","0.0664","0.0704","","","","","","1.089","","","","has coordinates","284922","2023-07-05","10:10:20",""
"7246798","20.72","0.003","10.2647","0.0014","16.365","0.002","90","","105.495","0.005","90","","3354.1","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0315","0.0256","","","0.0686","0.0735","","","","","","1.078","","","","has coordinates","284922","2023-07-05","10:10:22",""
"7246799","20.676","0.003","10.2639","0.0013","16.439","0.002","90","","105.457","0.004","90","","3362.4","0.8","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0365","0.0293","","","0.0769","0.0831","","","","","","1.074","","","","has coordinates","284922","2023-07-05","10:10:41",""
"7246800","20.634","0.002","10.2655","0.0012","16.499","0.0019","90","","105.415","0.004","90","","3369.1","0.6","250","2","250","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0494","0.0357","","","0.0917","0.1031","","","","","","1.07","","","","has coordinates,has disorder","284922","2023-07-05","10:10:44",""
"7246801","20.439","0.003","10.2687","0.0017","16.814","0.003","90","","105.349","0.006","90","","3403.1","1","396","2","400","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0517","0.0296","","","0.0859","0.1023","","","","","","1.051","","","","has coordinates,has disorder","284922","2023-07-05","10:10:44",""
"7246802","20.376","0.003","10.2653","0.0014","16.928","0.002","90","","105.342","0.005","90","","3414.6","0.8","450","2","450","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18 H12 Co N2 O4 -","- C144 H96 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0664","0.0344","","","0.097","0.1194","","","","","","1.049","","","","has coordinates,has disorder","284922","2023-07-05","10:10:47",""
"7246803","20.504","0.003","10.2634","0.0013","16.711","0.002","90","","105.36","0.005","90","","3391.1","0.8","350","2","350","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18.002 H12.002 Co N2 O4 -","- C144.016 H96.016 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.056","0.0317","","","0.0897","0.1079","","","","","","1.054","","","","has coordinates,has disorder","284922","2023-07-05","10:10:50",""
"7246804","20.57","0.002","10.2665","0.0012","16.5997","0.0018","90","","105.387","0.004","90","","3379.9","0.6","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Co N2 O4 -","- C18.002 H12.002 Co N2 O4 -","- C144.016 H96.016 Co8 N16 O32 -","8","1","","Sethi, Tapaswini; Bhattacharya, Debarati; Das, Dinabandhu","Tuning of thermal expansion properties of a mixed-ligand MOF by ligand variation","CrystEngComm","2023","25","23","3356","3360","10.1039/D3CE00334E","","","0.71073","MoKα","","0.0561","0.0331","","","0.0943","0.1105","","","","","","1.087","","","","has coordinates,has disorder","284922","2023-07-05","10:10:53",""
"7246805","5.355","0.003","8.831","0.003","11.415","0.004","90","","90.79","0.03","90","","539.8","0.4","100","0.1","100","0.1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H11 B F4 N2 O2 -","- C8 H11 B F4 N2 O2 -","- C16 H22 B2 F8 N4 O4 -","2","1","","Wojtaś, Maciej; Bednarchuk, Tamara J.; Bdikin, Igor","New hybrid: [H-β-(4-pyridyl)-Ala-OH] tetrafluoroborate – crystal structure and strong piezoelectricity","CrystEngComm","2023","25","25","3609","3617","10.1039/D3CE00308F","","","0.71073","MoKα","","0.0504","0.0447","","","0.1118","0.1154","","","","","","1.052","","","","has coordinates","284920","2023-07-05","10:09:01",""
"7246806","7.7358","0.0005","14.8013","0.0009","20.4291","0.0012","104.624","0.005","95.034","0.005","94.905","0.005","2240.5","0.2","129","2","129","2","","","","","","","","5","P -1","-P 1","2","Name eingeben","EDOT-Amide-TPA","","- C50 H48 N4 O9 S2 -","- C50 H48 N4 O9 S2 -","- C100 H96 N8 O18 S4 -","2","1","","Wolf, Florian; Sirtl, Maximilian T.; Klenk, Sebastian; Wurzenberger, Maximilian H. H.; Armer, Melina; Dörflinger, Patrick; Ganswindt, Patrick; Guntermann, Roman; Dyakonov, Vladimir; Bein, Thomas","Behind the scenes: insights into the structural properties of amide-based hole-transporting materials for lead-free perovskite solar cells","CrystEngComm","2023","25","21","3142","3149","10.1039/D2CE01512A","","x-ray","0.71073","MoKα","","0.1323","0.0627","","","0.0921","0.1162","","","","","","0.992","","","","has coordinates","284275","2023-06-05","04:28:37",""
"7246809","7.3092","0.0006","10.4613","0.0009","12.143","0.001","72.439","0.003","87.404","0.003","81.976","0.003","876.56","0.13","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C17 H16 Cl N3 O3 Se -","- C17 H16 Cl N3 O3 Se -","- C34 H32 Cl2 N6 O6 Se2 -","2","1","","Liu, Huan; Ye, Zi-Lin; Cai, Zhong-Jian; Ji, Shun-Jun","A multicomponent reaction of isocyanides, selenium powder and 3-aminooxetanes in pure water: green and efficient synthesis of 1,3-selenazolines","Green Chemistry","2023","25","11","4239","4243","10.1039/D3GC00708A","","","0.71073","MoKα","","0.0563","0.0399","","","0.0966","0.1061","","","","","","1.03","","","","has coordinates","286152","2023-09-05","19:59:06",""
"7246810","10.116","0.003","10.401","0.004","13.707","0.005","92.118","0.005","106.385","0.005","116.737","0.005","1212.9","0.7","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C52 H48 Cd2 N4 O19 -","- C52 H48 Cd2 N4 O19 -","- C52 H48 Cd2 N4 O19 -","1","0.5","","Song, Xiaoming; Dong, Wenzhuo; Hou, Xiufang; Zhao, Qingxia; Zhang, Zhuangzhuang; Ren, Yixia","The high fluorescence sensitivity property and quenching mechanism of one-dimensional Cd-HCIA-1 sensor for nitrobenzene.","Physical chemistry chemical physics : PCCP","2023","25","21","14907","14917","10.1039/d3cp00295k","","","0.71073","MoKα","","0.0332","0.0289","","","0.0713","0.0736","","","","","","1.062","","","","has coordinates","284342","2023-06-05","05:01:10",""
"7246811","9.1149","0.0002","7.9249","0.0002","10.3451","0.0002","90","","92.043","0.001","90","","746.8","0.03","298","","298","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C8 H20 Au Cl4 N -","- C8 H20 Au Cl4 N -","- C16 H40 Au2 Cl8 N2 -","2","0.5","","Do, Jean-Louis; Auvray, Thomas; Lennox, Cameron B.; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","Rapid, room-temperature, solvent-free mechanochemical oxidation of elemental gold into organosoluble gold salts","Green Chemistry","2023","25","15","5899","5906","10.1039/D3GC01150J","","","1.54178","CuKα","","0.0198","0.0188","","","0.044","0.0445","","","","","","1.116","","","","has coordinates","286150","2023-09-05","19:58:50",""
"7246812","9.3812","0.0003","8.2418","0.0003","10.5053","0.0004","90","","90.562","0.002","90","","812.21","0.05","298","","298","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C8 H20 Au Br4 N -","- C8 H20 Au Br4 N -","- C16 H40 Au2 Br8 N2 -","2","0.5","","Do, Jean-Louis; Auvray, Thomas; Lennox, Cameron B.; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","Rapid, room-temperature, solvent-free mechanochemical oxidation of elemental gold into organosoluble gold salts","Green Chemistry","2023","25","15","5899","5906","10.1039/D3GC01150J","","","1.54178","CuKα","","0.0301","0.028","","","0.0698","0.072","","","","","","1.043","","","","has coordinates","286150","2023-09-05","19:58:50",""
"7246813","14.8787","0.0003","8.931","0.0002","18.277","0.0004","90","","107.259","0.001","90","","2319.32","0.09","298","","298","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H36 Au Cl4 N -","- C16 H36 Au Cl4 N -","- C64 H144 Au4 Cl16 N4 -","4","1","","Do, Jean-Louis; Auvray, Thomas; Lennox, Cameron B.; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","Rapid, room-temperature, solvent-free mechanochemical oxidation of elemental gold into organosoluble gold salts","Green Chemistry","2023","25","15","5899","5906","10.1039/D3GC01150J","","","1.54178","CuKα","","0.0684","0.0568","","","0.1422","0.1604","","","","","","1.051","","","","has coordinates","286150","2023-09-05","19:58:50",""
"7246814","12.1431","0.0006","12.1431","0.0006","8.5038","0.0005","90","","90","","90","","1253.93","0.11","298","","298","","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C16 H36 Au Br4 N -","- C16 H36 Au Br4 N -","- C32 H72 Au2 Br8 N2 -","2","0.25","","Do, Jean-Louis; Auvray, Thomas; Lennox, Cameron B.; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","Rapid, room-temperature, solvent-free mechanochemical oxidation of elemental gold into organosoluble gold salts","Green Chemistry","2023","25","15","5899","5906","10.1039/D3GC01150J","","","1.54178","CuKα","","0.0819","0.0759","","","0.1804","0.1886","","","","","","1.168","","","","has coordinates,has disorder","286150","2023-09-05","19:58:51",""
"7246815","8.1965","0.0002","8.7398","0.0002","38.9304","0.001","90","","92.271","0.001","90","","2786.62","0.12","298","","298","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H42 Au Br4 N -","- C19 H42 Au Br4 N -","- C76 H168 Au4 Br16 N4 -","4","1","","Do, Jean-Louis; Auvray, Thomas; Lennox, Cameron B.; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav","Rapid, room-temperature, solvent-free mechanochemical oxidation of elemental gold into organosoluble gold salts","Green Chemistry","2023","25","15","5899","5906","10.1039/D3GC01150J","","","1.54178","CuKα","","0.1","0.0762","","","0.2057","0.226","","","","","","1.082","","","","has coordinates","286150","2023-09-05","19:58:51",""
"7246816","10.8178","0.0003","10.8178","0.0003","33.0213","0.0013","90","","90","","120","","3346.59","0.19","250","0.3","250","0.3","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C72 H144 B6 F24 Fe1.95 N72 Ru1.05 -","3","0.166667","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Ulhe, Abhilash; Trzop, Elzbieta; Dutta, Mousumi; Das, Chinmoy; Chakraborty, Pradip; Collet, Eric","Ferroelastic phase transition and the role of volume strain in the structural trapping of a metastable quenched low-spin high-symmetry phase in [Ru0.35Fe0.65(ptz)6](BF4)2","CrystEngComm","2023","25","25","3588","3597","10.1039/D3CE00365E","","x-ray","0.71073","MoKα","","0.0538","0.0484","","","0.1133","0.1166","","","","","","1.086","","","","has coordinates,has disorder","284916","2023-07-05","10:07:16",""
"7246817","10.7307","0.0002","10.7307","0.0002","31.9228","0.0009","90","","90","","120","","3183.37","0.12","80.4","0.12","80.4","0.12","","","","","","","","7","R -3 :H","-R 3","148","","","","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C72 H144 B6 F24 Fe1.95 N72 Ru1.05 -","3","0.166667","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Ulhe, Abhilash; Trzop, Elzbieta; Dutta, Mousumi; Das, Chinmoy; Chakraborty, Pradip; Collet, Eric","Ferroelastic phase transition and the role of volume strain in the structural trapping of a metastable quenched low-spin high-symmetry phase in [Ru0.35Fe0.65(ptz)6](BF4)2","CrystEngComm","2023","25","25","3588","3597","10.1039/D3CE00365E","","x-ray","0.71073","MoKα","","0.0333","0.0302","","","0.0594","0.0604","","","","","","1.135","","","","has coordinates,has disorder","284916","2023-07-05","10:07:17",""
"7246818","11.7873","0.0013","10.8372","0.0006","21.595","0.003","90.927","0.007","131.808","0.015","89.563","0.007","2055.9","0.6","80.7","0.7","80.7","0.7","","","","","","","","7","P -1","-P 1","2","","","","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C24 H48 B2 F8 Fe0.65 N24 Ru0.35 -","- C48 H96 B4 F16 Fe1.3 N48 Ru0.7 -","2","1","","Valverde-Muñoz, Francisco Javier; Torres Ramírez, Ricardo Guillermo; Ulhe, Abhilash; Trzop, Elzbieta; Dutta, Mousumi; Das, Chinmoy; Chakraborty, Pradip; Collet, Eric","Ferroelastic phase transition and the role of volume strain in the structural trapping of a metastable quenched low-spin high-symmetry phase in [Ru0.35Fe0.65(ptz)6](BF4)2","CrystEngComm","2023","25","25","3588","3597","10.1039/D3CE00365E","","x-ray","0.71073","MoKα","","0.1539","0.0753","","","0.141","0.1617","","","","","","0.903","","","","has coordinates,has disorder","284916","2023-07-05","10:07:17",""
"7246819","21.411","0.002","16.5319","0.0015","13.6853","0.0013","90","","105.095","0.001","90","","4677","0.8","296","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C36 H40 Cd3 N4 O31 -","- C36 H36 Cd3 N4 O31 -","- C144 H144 Cd12 N16 O124 -","4","0.5","","Ning, Shigang; Yan, Bingcheng; Wu, Junrong; Chen, Sen; Chen, Weipeng; Tian, Hongju; Zhang, Shaowei","A stable 2D luminescent metal–organic framework as a highly sensitive sensor for Fe3+ and Cr2O72−/CrO42− in water","CrystEngComm","2023","25","24","3539","3547","10.1039/D3CE00370A","","","0.71073","MoKα","","0.0575","0.0413","","","0.1013","0.1129","","","","","","1.026","","","","has coordinates","284912","2023-07-05","10:05:19",""
"7246822","11.5055","0.0003","11.9465","0.0003","11.9621","0.0003","63.454","0.001","78.323","0.001","62.154","0.001","1300.5","0.06","173","2","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C60 H46 Br2 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0687","0.0422","","","0.1081","0.1143","","","","","","0.963","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246823","11.4616","0.0006","11.9174","0.0006","11.9565","0.0006","64.094","0.002","78.975","0.002","62.088","0.002","1297.97","0.12","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23.0006 Br1.0006 N2 O4 S2 -","- C60 H46.0012 Br2.0012 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0816","0.0693","","","0.1928","0.2008","","","","","","1.115","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246824","20.1661","0.0011","11.754","0.0011","14.9001","0.0012","90","","131.943","0.005","90","","2627","0.4","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C120 H92 Br4 N8 O16 S8 -","4","0.5","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.1315","0.1082","","","0.2874","0.3122","","","","","","1.122","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246825","11.526","0.001","11.806","0.0011","12.2903","0.0011","63.453","0.004","78.22","0.004","61.19","0.003","1310.8","0.2","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23.0003 Br1.0003 N2 O4 S2 -","- C60 H46.0006 Br2.0006 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.1635","0.1331","","","0.4123","0.4426","","","","","","1.913","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246826","9.6809","0.0003","8.4899","0.0003","31.9397","0.001","90","","96.48","0.001","90","","2608.35","0.15","173","","173","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C120 H92 Br4 N8 O16 S8 -","4","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0325","0.0305","","","0.0754","0.0766","","","","","","1.053","","","","has coordinates,has disorder","286089","2023-09-05","19:35:58",""
"7246827","11.5018","0.0005","11.936","0.0005","11.9547","0.0005","63.482","0.001","78.39","0.002","62.15","0.001","1298.39","0.1","173","","173","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Br N2 O4 S2 -","- C30 H23 Br N2 O4 S2 -","- C60 H46 Br2 N4 O8 S4 -","2","1","","Lau, T. A.; Khorasani, S.; Fernandes, M. A.","Forced topochemistry of a solid-state Diels–Alder reaction by encapsulation in epoxy glue","CrystEngComm","2023","25","28","3988","3997","10.1039/D3CE00388D","","","0.71073","MoKα","","0.0446","0.0387","","","0.1104","0.1143","","","","","","1.114","","","","has coordinates,has disorder","286089","2023-09-05","19:35:59",""
"7246828","14.1064","0.0007","23.6828","0.0012","17.4985","0.0009","90","","90","","90","","5845.9","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H63 N4 O12.5 -","- C45 H63 N4 O12.5 -","- C180 H252 N16 O50 -","4","2","","Xu, Yiming; Chen, Kui; Ju, Xiang; Wu, Bin; Li, Xiaoting; Ji, Lijun; Wu, Yanyang","The effect of solvent–crystal interaction on the morphology of a solvate of rifampicin","CrystEngComm","2023","25","25","3662","3673","10.1039/D3CE00300K","","","1.54178","CuKα","","0.0492","0.0462","","","0.1324","0.1363","","","","","","1.052","","","","has coordinates","294326","2024-09-02","09:37:27",""
"7246829","12.545","0.005","3.9268","0.0016","21.018","0.009","90","","106.758","0.006","90","","991.4","0.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O2 S -","- C11 H9 N O2 S -","- C44 H36 N4 O8 S4 -","4","1","","Li, Dandan; Chen, Long; Jin, Yang; Wang, Xiaochen; Liu, Long; Li, Yilin; Chen, Gongyuan; Wu, Guanhao; Qin, Yujie; Yang, Leilei; Wang, Mengke; Zhao, Lulu; Xu, Zhihong; Wen, Jiangwei","An electrochemical-enabled cascaded cyclization of enaminones with potassium thiocyanate and alcohols to access 2-alkoxythiazoles","Green Chemistry","2023","25","12","4656","4661","10.1039/D3GC01194A","","","0.71073","MoKα","","0.0349","0.0305","","","0.0943","0.0979","","","","","","1.01","","","","has coordinates","286154","2023-09-05","19:59:24",""
"7246830","8.998","0.003","13.804","0.004","14.731","0.004","90","","92.647","0.01","90","","1827.8","0.9","273","2","273.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O3 -","- C24 H19 N O3 -","- C96 H76 N4 O12 -","4","1","","Yang, Na; Li, Anni; Gao, Hui; Liao, Li-Mei; Yang, Yu-Ping; Wang, Pei-Long; Li, Hongji","Electrochemical oxidation-induced benzylic C(sp3)–H functionalization towards the atom-economic synthesis of oxazole heterocycles","Green Chemistry","2023","25","13","5128","5133","10.1039/D2GC04782A","","","0.71073","MoKα","","0.0523","0.0401","","","0.1013","0.1142","","","","","","1.057","","","","has coordinates","286144","2023-09-05","19:57:42",""
"7246831","22.70389","0.00013","13.29859","0.00007","5.82409","0.00003","90","","90","","90","","1758.47","0.016","100","0.1","100","0.1","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C22 H16 Br N S -","- C22 H16 Br N S -","- C88 H64 Br4 N4 S4 -","4","1","","Guo, Yanmin; Chang, Rong; Fu, Zhen; Zhou, Cong-Ying; Guo, Zhen","Heterogeneous visible-light promoted dehydrogenative [4 + 2] annulation of benzothioamides and alkynes under aerobic conditions","Green Chemistry","2023","25","13","5206","5212","10.1039/D3GC01329D","","x-ray","1.54184","CuKα","","0.0168","0.0167","","","0.043","0.043","","","","","","1.068","","","","has coordinates","286146","2023-09-05","19:58:00",""
"7246832","24.9095","0.0005","5.8669","0.0001","25.8562","0.0006","90","","111.533","0.002","90","","3514.94","0.13","100","0.1","100","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Z)-5-chloro-3-methyl-N,4-diphenyl-1H-isothiochromen-1-imine","","- C22 H16 Cl N S -","- C22 H16 Cl N S -","- C176 H128 Cl8 N8 S8 -","8","1","","Guo, Yanmin; Chang, Rong; Fu, Zhen; Zhou, Cong-Ying; Guo, Zhen","Heterogeneous visible-light promoted dehydrogenative [4 + 2] annulation of benzothioamides and alkynes under aerobic conditions","Green Chemistry","2023","25","13","5206","5212","10.1039/D3GC01329D","","x-ray","1.54184","CuKα","","0.0382","0.0348","","","0.0865","0.0899","","","","","","1.089","","","","has coordinates","286146","2023-09-05","19:58:00",""
"7246833","10.2654","0.0002","7.0454","0.0001","12.4963","0.0003","90","","92.802","0.002","90","","902.7","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(Z)-7-bromo-3-methyl-N,4-diphenyl-1H-isothiochromen-1-imine","","- C22 H16 Br N S -","- C22 H16 Br N S -","- C44 H32 Br2 N2 S2 -","2","0.5","","Guo, Yanmin; Chang, Rong; Fu, Zhen; Zhou, Cong-Ying; Guo, Zhen","Heterogeneous visible-light promoted dehydrogenative [4 + 2] annulation of benzothioamides and alkynes under aerobic conditions","Green Chemistry","2023","25","13","5206","5212","10.1039/D3GC01329D","","x-ray","1.54184","CuKα","","0.0303","0.028","","","0.0782","0.0805","","","","","","1.007","","","","has coordinates,has disorder","286146","2023-09-05","19:58:00",""
"7246834","10.1263","0.0003","6.9258","0.0002","12.6138","0.0004","90","","92.516","0.003","90","","883.79","0.05","100","0.1","100","0.1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","(Z)-7-chloro-3-methyl-N,4-diphenyl-1H-isothiochromen-1-imine","","- C22 H17 Cl N S -","- C22 H16 Cl N S -","- C44 H32 Cl2 N2 S2 -","2","0.5","","Guo, Yanmin; Chang, Rong; Fu, Zhen; Zhou, Cong-Ying; Guo, Zhen","Heterogeneous visible-light promoted dehydrogenative [4 + 2] annulation of benzothioamides and alkynes under aerobic conditions","Green Chemistry","2023","25","13","5206","5212","10.1039/D3GC01329D","","x-ray","1.54184","CuKα","","0.0375","0.0342","","","0.1099","0.1159","","","","","","0.916","","","","has coordinates,has disorder","286146","2023-09-05","19:58:00",""
"7246835","11.3822","0.0002","12.2394","0.0003","16.8294","0.0004","74.05","0.002","80.114","0.002","67.955","0.002","2083.27","0.09","99.99","0.1","99.99","0.1","","","","","","","","4","P -1","-P 1","2","","(Z)-5-(tert-butyl)-3-methyl-N,4-diphenyl-1H-isothiochromen-1-imine","","- C26 H25 N S -","- C26 H25 N S -","- C104 H100 N4 S4 -","4","2","","Guo, Yanmin; Chang, Rong; Fu, Zhen; Zhou, Cong-Ying; Guo, Zhen","Heterogeneous visible-light promoted dehydrogenative [4 + 2] annulation of benzothioamides and alkynes under aerobic conditions","Green Chemistry","2023","25","13","5206","5212","10.1039/D3GC01329D","","x-ray","1.54184","CuKα","","0.0704","0.0658","","","0.1765","0.1816","","","","","","1.046","","","","has coordinates","286146","2023-09-05","19:58:00",""
"7246836","14.3393","0.0003","13.6235","0.0003","18.0779","0.0004","90","","105.504","0.002","90","","3403.04","0.13","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H69 N31 Nd2 O49 -","- C36 H68 N31 Nd2 O49 -","- C72 H136 N62 Nd4 O98 -","2","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0267","0.0228","","","0.0521","0.0535","","","","","","1.049","","","","has coordinates,has disorder","284923","2023-07-05","10:11:52",""
"7246837","14.3566","0.0004","13.5936","0.0004","18.0138","0.0005","90","","105.343","0.003","90","","3390.24","0.17","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H69 N31 O49 Sm2 -","- C36 H68 N31 O49 Sm2 -","- C72 H136 N62 O98 Sm4 -","2","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.03","0.0247","","","0.0569","0.0591","","","","","","1.051","","","","has coordinates,has disorder","284923","2023-07-05","10:11:55",""
"7246838","14.36","0.002","13.586","0.003","17.933","0.003","90","","105.395","0.002","90","","3373.1","1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H69 Gd2 N31 O49 -","- C36 H68 Gd2 N31 O49 -","- C72 H136 Gd4 N62 O98 -","2","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","","0.745","synchrotron","","0.032","0.0312","","","0.08","0.0806","","","","","","1.042","","","","has coordinates,has disorder","284923","2023-07-05","10:11:58",""
"7246839","25.7641","0.0004","25.7641","0.0004","31.6786","0.0006","90","","90","","120","","18210.7","0.5","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 Dy2 N32 O63 -","- C36 H36 Dy2 N32 O62.9998 -","- C324 H324 Dy18 N288 O566.998 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0331","0.0303","","","0.0874","0.0891","","","","","","1.068","","","","has coordinates,has disorder","284923","2023-07-05","10:12:01",""
"7246840","13.42009","0.00018","14.43599","0.00018","18.2561","0.0002","73.8067","0.0011","87.3433","0.0011","87.7224","0.0011","3391.5","0.07","140","2","140","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H69 Eu2 N31 O49 -","- C36 H69 Eu2 N31 O49 -","- C72 H138 Eu4 N62 O98 -","2","1","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0302","0.0248","","","0.0549","0.0564","","","","","","1.083","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246841","13.386","0.003","14.4235","0.0013","18.1775","0.0013","73.769","0.002","87.34","0.004","87.608","0.005","3364.6","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H69 N31 O49 Tb2 -","- C36 H69 N31 O49 Tb2 -","- C72 H138 N62 O98 Tb4 -","2","1","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","","0.745","synchrotron","","0.0387","0.0363","","","0.0994","0.1011","","","","","","1.067","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246842","25.8081","0.0006","25.8081","0.0006","31.7446","0.0009","90","","90","","120","","18311","0.8","130","2","130","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 Er2 N32 O63 -","- C36 H36 Er2 N32 O62.9998 -","- C324 H324 Er18 N288 O566.998 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0266","0.0254","","","0.0695","0.0704","","","","","","1.062","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246843","25.8703","0.0006","25.8703","0.0006","31.8766","0.0008","90","","90","","120","","18475.9","0.8","170","2","170","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 Ho2 N32 O63 -","- C36 H36 Ho2 N32 O62.9978 -","- C324 H324 Ho18 N288 O566.98 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","x-ray","0.71073","MoKα","","0.0346","0.0299","","","0.0858","0.0882","","","","","","1.058","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246844","25.7946","0.0004","25.7946","0.0004","31.7638","0.0006","90","","90","","120","","18302.9","0.5","150","2","150","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C36 H92 N32 O63 Yb2 -","- C36 H36 N32 O63.0018 Yb2 -","- C324 H324 N288 O567.016 Yb18 -","9","0.5","","Andrienko, Irina V.; Rakhmanova, Mariana I.; Samsonenko, Denis G.; Kovalenko, Ekaterina A.","Supramolecular lanthanide assemblies with cucurbit[6]uril: from synthesis and crystal structure to application","CrystEngComm","2023","25","23","3460","3471","10.1039/D3CE00301A","","","0.71073","MoKα","","0.0455","0.0334","","","0.0923","0.0963","","","","","","1.083","","","","has coordinates,has disorder","284923","2023-07-05","10:12:04",""
"7246847","7.0963","0.0005","9.7638","0.0007","12.7882","0.0007","111.519","0.006","96.992","0.005","92.865","0.006","813.85","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","6-chloro-1,2,3,4,9,10,11,12-octahydro- [1,4]-diazepine-[5,6,7-kl]-acridine monohydrochloride dihydrate","","- C15 H21 Cl2 N3 O2 -","- C15 H21 Cl2 N3 O2 -","- C30 H42 Cl4 N6 O4 -","2","1","","Mojzych, Ilona; Zawadzka, Anna; Kaczyńska, Katarzyna; Wojciechowski, Piotr; Zając, Dominika; Chotkowski, Maciej; Wiktorska, Katarzyna; Maurin, Jan K.; Mazur, Maciej","A tetrahydroacridine derivative and its conjugate with gold nanoparticles: promising agents for the treatment of Alzheimer's disease.","Physical chemistry chemical physics : PCCP","2023","25","25","16796","16806","10.1039/d3cp00767g","","","1.54178","CuKα","","0.088","0.0364","","","0.0702","0.0791","","","","","","0.762","","","","has coordinates","284977","2023-07-05","11:02:41",""
"7246848","17.0916","0.0003","17.0966","0.0002","17.6141","0.0002","90","","118.3","0.002","90","","4531.8","0.14","150","2","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C48 H61 B F4 N2 O -","- C48 H61 B F4 N2 O -","- C192 H244 B4 F16 N8 O4 -","4","2","","Jones, Rebecca L.; Morris, Louis J.; Collins Rice, Clement G.; Turner, Zoë R; O'Hare, Dermot","Hydrogen-bonding and resonance stabilisation effects in cationic bis(iminium) phenoxide diacids.","Physical chemistry chemical physics : PCCP","2023","25","22","15463","15468","10.1039/d3cp01881d","","x-ray","1.54184","CuKα","","0.0542","0.0502","","","0.1426","0.1486","","","","","","1.035","","","","has coordinates","284975","2023-07-05","11:02:04",""
"7246849","14.6277","0.0002","16.6892","0.0002","17.0756","0.0002","112.68","0.0013","96.2268","0.0012","105.711","0.0013","3594.61","0.1","150","","150","","","","","","","","","7","P -1","-P 1","2","","","","- C73.5 H54 B2 Cl3 F30 N3 O -","- C73.5 H54 B2 Cl3 F30 N3 O -","- C147 H108 B4 Cl6 F60 N6 O2 -","2","1","","Jones, Rebecca L.; Morris, Louis J.; Collins Rice, Clement G.; Turner, Zoë R; O'Hare, Dermot","Hydrogen-bonding and resonance stabilisation effects in cationic bis(iminium) phenoxide diacids.","Physical chemistry chemical physics : PCCP","2023","25","22","15463","15468","10.1039/d3cp01881d","","","1.5418","CuKα","","0.0653","0.0602","","0.1673","0.1608","0.1673","","","","","","0.9878","","","","has coordinates","284975","2023-07-05","11:02:05",""
"7246850","5.7701","0.0004","11.1748","0.0008","42.916","0.003","90","","90","","90","","2767.2","0.3","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","(ferrocenyl amine)-ITFE","(N,N-Dimethyl ferrocenyl amine)2.Iodo trifluoroethene","","- C28 H34 F3 Fe2 I N2 -","- C28 H34 F3 Fe2 I N2 -","- C112 H136 F12 Fe8 I4 N8 -","4","1","","Kreienborg, Nora M.; Otte, Felix; Strohmann, Carsten; Merten, Christian","Simultaneous observation of halogen-lone pair and halogen-π interactions of ferrocene derivatives under cryogenic conditions.","Physical chemistry chemical physics : PCCP","2023","25","22","15110","15114","10.1039/d3cp01661g","","x-ray","0.71073","MoKα","","0.0366","0.0327","","","0.0677","0.0687","","","","","","1.146","","","","has coordinates","284976","2023-07-05","11:02:16",""
"7246851","9.3303","0.0017","17.815","0.003","10.836","0.0018","90","","112.207","0.005","90","","1667.6","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 F3 N O2 S -","- C17 H14 F3 N O2 S -","- C68 H56 F12 N4 O8 S4 -","4","1","","Liao, Tian-Ming; Ma, Wen-Jiang; Gao, Yu-Ning; Bian, Ming; Jiang, Min; Liu, Jin-Tao; Chen, Hui-Yu; Liu, Zhen-Jiang","Facile synthesis of (polyfluoro)alkanesulfinyl 4-isoxazolines: a stepwise solvent- and catalyst-free approach or a one-pot process in water","Green Chemistry","2023","25","13","5233","5239","10.1039/D3GC00557G","","","0.71073","MoKα","","0.0759","0.0578","","","0.1455","0.1624","","","","","","1.131","","","","has coordinates","286145","2023-09-05","19:57:50",""
"7246852","9.8704","0.0003","16.865","0.0005","11.3723","0.0004","90","","115.314","0.001","90","","1711.3","0.1","213","2","213","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 F3 N O2 S -","- C18 H16 F3 N O2 S -","- C72 H64 F12 N4 O8 S4 -","4","1","","Liao, Tian-Ming; Ma, Wen-Jiang; Gao, Yu-Ning; Bian, Ming; Jiang, Min; Liu, Jin-Tao; Chen, Hui-Yu; Liu, Zhen-Jiang","Facile synthesis of (polyfluoro)alkanesulfinyl 4-isoxazolines: a stepwise solvent- and catalyst-free approach or a one-pot process in water","Green Chemistry","2023","25","13","5233","5239","10.1039/D3GC00557G","","","0.71073","MoKα","","0.0413","0.0375","","","0.0967","0.1008","","","","","","1.027","","","","has coordinates","286145","2023-09-05","19:57:50",""
"7246853","8.9764","0.0005","9.7004","0.0006","10.5392","0.0006","102.617","0.002","92.927","0.002","99.557","0.002","879.46","0.09","213","2","213","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 F3 N O2 S -","- C18 H16 F3 N O2 S -","- C36 H32 F6 N2 O4 S2 -","2","1","","Liao, Tian-Ming; Ma, Wen-Jiang; Gao, Yu-Ning; Bian, Ming; Jiang, Min; Liu, Jin-Tao; Chen, Hui-Yu; Liu, Zhen-Jiang","Facile synthesis of (polyfluoro)alkanesulfinyl 4-isoxazolines: a stepwise solvent- and catalyst-free approach or a one-pot process in water","Green Chemistry","2023","25","13","5233","5239","10.1039/D3GC00557G","","","0.71073","MoKα","","0.0429","0.0399","","","0.1082","0.1116","","","","","","1.027","","","","has coordinates","286145","2023-09-05","19:57:50",""
"7246854","8.8998","0.0002","16.2836","0.0004","10.5436","0.0003","90","","107.423","0.001","90","","1457.88","0.06","213","2","213","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 F3 O2 S -","- C16 H11 F3 O2 S -","- C64 H44 F12 O8 S4 -","4","1","","Liao, Tian-Ming; Ma, Wen-Jiang; Gao, Yu-Ning; Bian, Ming; Jiang, Min; Liu, Jin-Tao; Chen, Hui-Yu; Liu, Zhen-Jiang","Facile synthesis of (polyfluoro)alkanesulfinyl 4-isoxazolines: a stepwise solvent- and catalyst-free approach or a one-pot process in water","Green Chemistry","2023","25","13","5233","5239","10.1039/D3GC00557G","","","0.71073","MoKα","","0.0449","0.034","","","0.0692","0.0746","","","","","","1.054","","","","has coordinates","286145","2023-09-05","19:57:51",""
"7246861","11.1702","0.0001","12.6477","0.0001","23.5283","0.0003","90","","92.215","0.001","90","","3321.53","0.06","150","0.5","150","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Cl2 Fe I N4 O2 -","- C33 H40 Cl2 Fe I N4 O2 -","- C132 H160 Cl8 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","","1.54184","CuKα","","0.0592","0.0552","","","0.1516","0.1554","","","","","","1.068","","","","has coordinates","286084","2023-09-05","19:33:50",""
"7246862","11.387","0.0001","12.606","0.0001","23.8251","0.0002","90","","90.177","0.001","90","","3419.95","0.05","200","0.5","200","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 Cl2 Fe I N4 O2 -","- C33 H40 Cl2 Fe I N4 O2 -","- C132 H160 Cl8 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","","1.54184","CuKα","","0.0584","0.0529","","","0.1417","0.1456","","","","","","1.116","","","","has coordinates,has disorder","286084","2023-09-05","19:33:51",""
"7246863","11.47081","0.00014","12.93413","0.00016","23.8498","0.0003","90","","92.8489","0.0011","90","","3534.1","0.08","200","0.5","200","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","","1.54184","CuKα","","0.0573","0.0528","","","0.1453","0.1499","","","","","","1.09","","","","has coordinates,has disorder","286084","2023-09-05","19:33:51",""
"7246864","11.2214","0.0001","12.689","0.0001","23.7424","0.0002","90","","90.033","0.001","90","","3380.64","0.05","150","0.5","150","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H44 Fe I N4 O3 -","- C35 H44 Fe I N4 O3 -","- C140 H176 Fe4 I4 N16 O12 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.0474","0.0447","","","0.1203","0.1221","","","","","","1.093","","","","has coordinates","286084","2023-09-05","19:33:51",""
"7246865","11.37248","0.00011","13.01255","0.00013","23.3736","0.0002","90","","93.9098","0.0008","90","","3450.89","0.06","130","0.5","130","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.0566","0.054","","","0.1429","0.1458","","","","","","1.04","","","","has coordinates","286084","2023-09-05","19:33:51",""
"7246866","11.38862","0.00017","13.0145","0.0002","23.4046","0.0004","90","","93.6869","0.0014","90","","3461.78","0.1","150","0.5","150","0.5","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.0701","0.0663","","","0.1849","0.189","","","","","","1.056","","","","has coordinates","286084","2023-09-05","19:33:51",""
"7246867","11.54644","0.00013","13.04848","0.00016","23.9438","0.0003","90","","93.0092","0.001","90","","3602.48","0.08","295.9","","295.9","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C33 H39 Cl3 Fe I N4 O2 -","- C33 H39 Cl3 Fe I N4 O2 -","- C132 H156 Cl12 Fe4 I4 N16 O8 -","4","1","","Boonprab, Theerapoom; Habarakada, Upeksha; Chastanet, Guillaume; Harding, Phimphaka; Harding, David J.","Light and thermally activated spin crossover coupled to an order–disorder transition of a propyl chain in an iron(iii) complex","CrystEngComm","2023","25","29","4126","4132","10.1039/D3CE00425B","","x-ray","1.54184","CuKα","","0.064","0.0552","","","0.1551","0.1632","","","","","","1.0275","","","","has coordinates,has disorder","286084","2023-09-05","19:33:51",""
"7246868","7.3227","0.0009","8.995","0.0014","15.321","0.002","90","","103.442","0.006","90","","981.5","0.2","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 Cl N3 Se -","- C8 H10 Cl N3 Se -","- C32 H40 Cl4 N12 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0294","0.0265","","","0.0648","0.0689","","","","","","1.241","","","","has coordinates","284917","2023-07-05","10:07:32",""
"7246869","7.8986","0.0015","14.662","0.004","9.851","0.004","90","","111.161","0.015","90","","1063.9","0.6","100","","100","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl N5 O Se -","- C7 H10 Cl N5 O Se -","- C28 H40 Cl4 N20 O4 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0455","0.0387","","","0.1028","0.1063","","","","","","1.053","","","","has coordinates","284917","2023-07-05","10:07:43",""
"7246870","6.9994","0.001","8.8877","0.001","20.694","0.005","90","","90","","90","","1287.3","0.4","100","","100","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 Cl N3 O Se -","- C13 H12 Cl N3 O Se -","- C52 H48 Cl4 N12 O4 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0383","0.0334","","","0.0836","0.0858","","","","","","1.015","","","","has coordinates","284917","2023-07-05","10:07:47",""
"7246871","5.3306","0.0007","14.043","0.004","16.798","0.002","90","","93.025","0.004","90","","1255.7","0.4","100","","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H14 Cl N3 O2 Se -","- C10 H14 Cl N3 O2 Se -","- C40 H56 Cl4 N12 O8 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0396","0.0286","","","0.0576","0.0609","","","","","","1.025","","","","has coordinates","284917","2023-07-05","10:07:58",""
"7246872","11.922","0.004","6.546","0.003","14.62","0.005","90","","108.226","0.016","90","","1083.7","0.7","100","","100","","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C9 H11 Cl N4 Se -","- C9 H11 Cl N4 Se -","- C36 H44 Cl4 N16 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0481","0.0338","","","0.0786","0.0888","","","","","","1.027","","","","has coordinates","284917","2023-07-05","10:08:02",""
"7246873","6.8384","0.0015","9.403","0.002","10.236","0.002","67.561","0.009","74.848","0.01","70.534","0.011","566.7","0.2","100","","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C8 H10 Cl N3 O4 Se -","- C8 H10 Cl N3 O4 Se -","- C16 H20 Cl2 N6 O8 Se2 -","2","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0232","0.0212","","","0.0497","0.0504","","","","","","1.053","","","","has coordinates","284917","2023-07-05","10:08:05",""
"7246874","7.811","0.004","7.811","","23.699","0.008","90","","90","","90","","1445.9","0.9","300","","300","2","","","","","","","","5","P 41","P 4w","76","","","","- C16 H12 Cl N3 Se -","- C16 H12 Cl N3 Se -","- C64 H48 Cl4 N12 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.0348","0.0331","","","0.0858","0.0866","","","","","","1.114","","","","has coordinates","284917","2023-07-05","10:08:05",""
"7246875","15.3881","0.0006","9.8662","0.0003","18.2499","0.0008","90","","105.566","0.001","90","","2669.11","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H30 B N3 Se -","- C32 H30 B N3 Se -","- C128 H120 B4 N12 Se4 -","4","1","","Artemjev, Alexey A.; Kubasov, Alexey S.; Kuznetsov, Maxim L.; Grudova, Mariya V.; Khrustalev, Victor N.; Kritchenkov, Andreii S.; Tskhovrebov, Alexander G.","Mechanistic investigation of 1,3-dipolar cycloaddition between bifunctional 2-pyridylselenyl reagents and nitriles including reactions with cyanamides","CrystEngComm","2023","25","25","3691","3701","10.1039/D3CE00385J","","","0.71073","MoKα","","0.061","0.048","","","0.123","0.1296","","","","","","1.049","","","","has coordinates","284917","2023-07-05","10:08:05",""
"7246876","7.6105","0.001","12.1722","0.0014","19.257","0.002","90","","90","","90","","1783.9","0.4","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N -","- C24 H21 N -","- C96 H84 N4 -","4","1","","Zárate-Roldán, Stephany; Gimeno, M. Concepción; Herrera, Raquel P.","Alkylation of amines with allylic alcohols and deep eutectic solvents as metal-free and green promoters","Green Chemistry","2023","25","14","5601","5612","10.1039/D3GC01017A","","","0.71073","MoKα","","0.0321","0.0308","","","0.0812","0.0822","","","","","","1.043","","","","has coordinates","286148","2023-09-05","19:58:16",""
"7246877","15.447","0.003","5.6795","0.0011","21.658","0.004","90","","108.34","0.03","90","","1803.6","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N -","- C23 H23 N -","- C92 H92 N4 -","4","1","","Zárate-Roldán, Stephany; Gimeno, M. Concepción; Herrera, Raquel P.","Alkylation of amines with allylic alcohols and deep eutectic solvents as metal-free and green promoters","Green Chemistry","2023","25","14","5601","5612","10.1039/D3GC01017A","","","0.71073","MoKα","","0.1029","0.0925","","","0.2656","0.2781","","","","","","1.057","","","","has coordinates","286148","2023-09-05","19:58:16",""
"7246878","9.8173","0.0004","12.9566","0.0006","14.7156","0.0004","90","","101.124","0.002","90","","1836.64","0.12","170","2","170","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C18 H12 Ag B F4 N4 O4 -","- C18 H12 Ag B F4 N4 O4 -","- C72 H48 Ag4 B4 F16 N16 O16 -","4","0.5","","Yousri, Amal; Haukka, Matti; Abu-Youssef, Morsy A. M.; Salah Ayoup, Mohammed; Ismail, Magda M. F.; El Menofy, Nagwan G.; Soliman, Saied M.; Barakat, Assem; Amombo Noa, Francoise M.; Öhrström, Lars","Synthesis, structure diversity, and antimicrobial studies of Ag(i) complexes with quinoline-type ligands","CrystEngComm","2023","25","27","3922","3930","10.1039/D3CE00417A","","","0.71073","MoKα","","0.035","0.0295","","","0.0671","0.0697","","","","","","1.115","","","","has coordinates","286095","2023-09-05","19:37:04",""
"7246879","10.048","0.0002","16.8535","0.0002","14.5843","0.0002","90","","98.505","0.002","90","","2442.6","0.07","120","2","120","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Ag B F4 N2 O -","- C10 H8 Ag B F4 N2 O -","- C80 H64 Ag8 B8 F32 N16 O8 -","8","1","","Yousri, Amal; Haukka, Matti; Abu-Youssef, Morsy A. M.; Salah Ayoup, Mohammed; Ismail, Magda M. F.; El Menofy, Nagwan G.; Soliman, Saied M.; Barakat, Assem; Amombo Noa, Francoise M.; Öhrström, Lars","Synthesis, structure diversity, and antimicrobial studies of Ag(i) complexes with quinoline-type ligands","CrystEngComm","2023","25","27","3922","3930","10.1039/D3CE00417A","","x-ray","1.54184","CuKα","","0.0508","0.0462","","","0.1285","0.1329","","","","","","1.072","","","","has coordinates","286095","2023-09-05","19:37:05",""
"7246880","7.5657","0.0015","11.619","0.002","25.402","0.005","90","","90","","90","","2233","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H14 N2 O2 -","- C12 H14 N2 O2 -","- C96 H112 N16 O16 -","8","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0431","0.0404","","","0.1049","0.1072","","","","","","1.084","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246881","7.3489","0.0015","14.605","0.003","19.983","0.004","90","","90","","90","","2144.8","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H12 N2 O2 -","- C11 H12 N2 O2 -","- C88 H96 N16 O16 -","8","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0599","0.0416","","","0.0986","0.109","","","","","","1.05","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246882","6.2259","0.0012","7.1884","0.0014","23.607","0.005","90","","90","","90","","1056.5","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 N2 O3 -","- C11 H12 N2 O3 -","- C44 H48 N8 O12 -","4","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0376","0.0328","","","0.0752","0.0774","","","","","","1.062","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246883","6.8817","0.0014","8.3267","0.0017","10.789","0.002","83.96","0.03","76.71","0.03","70.02","0.03","565.2","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H11 N3 O5 -","- C10 H11 N3 O5 -","- C20 H22 N6 O10 -","2","1","","Lazić, Anita; Radovanović, Lidija; Rogan, Jelena; Valentić, Nataša; Janjić, Goran; Đorđević, Ivana; Trišović, Nemanja","Exploring the supramolecular profile of 5-phenylhydantoins","CrystEngComm","2023","25","25","3637","3654","10.1039/D3CE00213F","","","0.71073","MoKα","","0.0592","0.0432","","","0.0978","0.1058","","","","","","1.031","","","","has coordinates","284579","2023-06-29","09:55:10",""
"7246884","10.812","0.002","18.958","0.004","7.114","0.0014","90","","116.03","0.03","90","","1310.3","0.6","220","2","220","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 Co N2 O5 -","- C14 H18 Co N2 O5 -","- C56 H72 Co4 N8 O20 -","4","0.5","","Muthukumar, Pandi; Arunkumar, Gunasekaran; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Water coordinated Co-MOFs with 1D/2D network structure and highly enhanced electrocatalytic OER activity","CrystEngComm","2023","25","28","4058","4063","10.1039/D3CE00393K","","","0.63","synchrotron","","0.0518","0.0506","","","0.1546","0.1556","","","","","","1.188","","","","has coordinates","286088","2023-09-05","19:35:42",""
"7246885","9.655","0.0019","16.355","0.003","11.069","0.002","90","","110.97","0.03","90","","1632.1","0.6","220","2","220","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Co N2 O5 -","- C18 H14 Co N2 O5 -","- C72 H56 Co4 N8 O20 -","4","1","","Muthukumar, Pandi; Arunkumar, Gunasekaran; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Moon, Dohyun; Anthony, Savarimuthu Philip","Water coordinated Co-MOFs with 1D/2D network structure and highly enhanced electrocatalytic OER activity","CrystEngComm","2023","25","28","4058","4063","10.1039/D3CE00393K","","","0.63","synchrotron","","0.0529","0.0491","","","0.1533","0.1563","","","","","","1.191","","","","has coordinates","286088","2023-09-05","19:35:43",""
"7246886","12.0754","0.0003","10.5591","0.0003","8.8651","0.0003","90","","90","","90","","1130.35","0.06","150","2","150","2","","","","","","","","2","P c a 21","P 2c -2ac","29","","","","- C6 N16 -","- C6 N16 -","- C24 N64 -","4","1","","Leškovskis, Kristaps; Mishnev, Anatoly; Novosjolova, Irina; Krumm, Burkhard; Klapötke, Thomas M.; Turks, Māris","2,4,6,8-Tetraazidopyrimido[5,4-d]pyrimidine: a novel energetic binary compound","CrystEngComm","2023","25","27","3866","3869","10.1039/D3CE00563A","","","1.54184","CuKα","","0.0444","0.0409","","","0.0991","0.1015","","","","","","1.064","","","","has coordinates","286094","2023-09-05","19:36:53",""
"7246887","17.0985","0.0006","17.0985","0.0006","42.1074","0.0017","90","","90","","90","","12310.5","0.8","200","2","200","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C26 H28 Cl2 Co N4 -","- C26 H28 Cl2 Co N4 -","- C416 H448 Cl32 Co16 N64 -","16","1","","Tella, Adedibu C.; Owalude, Samson O.; Ameen, Olanrewaju A.; Clayton, Hadley S.; Yusuph, Quadrat; Dembaremba, Tendai O.; Hosten, Eric C.; Ogunlaja, Adeniyi S.","Synthesis, crystal structures and DFT studies of Co(ii) and Zn(ii) coordination polymers of terephthalate and 4,4′-trimethylenedipyridyl ligands for removal of dibenzothiophene from a model fuel oil","CrystEngComm","2023","25","28","3998","4010","10.1039/D3CE00236E","","","0.71073","MoKα","","0.0979","0.0725","","","0.2139","0.2397","","","","","","1.061","","","","has coordinates","286086","2023-09-05","19:35:15",""
"7246888","21.0837","0.0009","11.4677","0.0005","19.6425","0.0013","90","","119.297","0.002","90","","4141.7","0.4","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C42 H42 N4 O11 Zn2 -","- C42 H42 N4 O11 Zn2 -","- C168 H168 N16 O44 Zn8 -","4","0.5","","Tella, Adedibu C.; Owalude, Samson O.; Ameen, Olanrewaju A.; Clayton, Hadley S.; Yusuph, Quadrat; Dembaremba, Tendai O.; Hosten, Eric C.; Ogunlaja, Adeniyi S.","Synthesis, crystal structures and DFT studies of Co(ii) and Zn(ii) coordination polymers of terephthalate and 4,4′-trimethylenedipyridyl ligands for removal of dibenzothiophene from a model fuel oil","CrystEngComm","2023","25","28","3998","4010","10.1039/D3CE00236E","","","0.71073","MoKα","","0.0445","0.0382","","","0.0962","0.1002","","","","","","1.06","","","","has coordinates,has disorder","286086","2023-09-05","19:35:26",""
"7246889","7.1842","0.0003","14.4765","0.0005","15.9555","0.0004","68.871","0.003","78.281","0.003","79.368","0.003","1504.29","0.1","297.24","0.1","297.24","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H29 Cl N10 O7 -","- C28 H29 Cl N10 O7 -","- C56 H58 Cl2 N20 O14 -","2","1","","Wang, Zhi-Qing; Dai, Xia-Lin; Gu, Dai-Lin; Wu, Chao; Lu, Tong-Bu; Long, Xiang-Tian; Chen, Jia-Mei","Cocrystallization of lenvatinib and temozolomide to improve the performance in terms of stability, dissolution, and tabletability","CrystEngComm","2023","25","29","4189","4198","10.1039/D3CE00473B","","","1.54184","CuKα","","0.0707","0.05","","","0.1317","0.1482","","","","","","1.099","","","","has coordinates,has disorder","286079","2023-09-05","19:31:54",""
"7246890","12.0309","0.0008","13.9974","0.0009","14.7291","0.0009","103.276","0.001","106.729","0.001","110.009","0.001","2078.4","0.2","273.15","","273.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H40 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","1","0.5","","Wang, Jinling; Liu, Xiaohui; Chang, Zhihan; Xu, Na; Wang, Xiuli","Two new manganese-based phosphomolybdate compounds as electrochemical sensors for the highly sensitive trace determination of heavy metal Cr(vi) ions","CrystEngComm","2023","25","27","3953","3958","10.1039/D3CE00517H","","x-ray","0.71073","MoKα","K-L~3~","0.0444","0.0411","","","0.1139","0.1163","","","","","","1.074","","","","has coordinates,has disorder","286096","2023-09-05","19:37:13",""
"7246891","11.944","0.0003","13.794","0.0004","14.6825","0.0004","102.637","0.001","106","","110.82","","2033.94","0.1","296.15","","296.15","","","","","","","","","7","P -1","-P 1","2","","","","- C24 H34 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","- C24 H40 Mn3 Mo12 N8 O66 P8 -","1","0.5","","Wang, Jinling; Liu, Xiaohui; Chang, Zhihan; Xu, Na; Wang, Xiuli","Two new manganese-based phosphomolybdate compounds as electrochemical sensors for the highly sensitive trace determination of heavy metal Cr(vi) ions","CrystEngComm","2023","25","27","3953","3958","10.1039/D3CE00517H","","x-ray","0.71073","MoKα","K-L~3~","0.0397","0.0354","","","0.1025","0.1061","","","","","","1.033","","","","has coordinates,has disorder","286096","2023-09-05","19:37:14",""
"7246892","11.976","0.004","9.343","0.003","21.923","0.007","90","","97.91","0.005","90","","2429.7","1.4","296","2","296.15","","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C26 H29 Cl N4 O6 Zn -","- C22 H16 Cl N3 O3 Zn -","- C88 H64 Cl4 N12 O12 Zn4 -","4","1","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.056","0.0468","","","0.1002","0.1034","","","","","","1.0203","","","","has coordinates","286082","2023-09-05","19:32:43",""
"7246893","12.8121","0.0019","21.163","0.003","15.335","0.002","90","","113.952","0.002","90","","3799.9","0.9","296","2","296.15","","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C78 H79 Cl1.5 N13 O16.7 Zn3 -","- C78 H79 Cl1.5 N13 O16.702 Zn3 -","- C156 H158 Cl3 N26 O33.404 Zn6 -","2","0.5","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.0808","0.0585","","","0.1562","0.1703","","","","","","1.023","","","","has coordinates,has disorder","286082","2023-09-05","19:32:43",""
"7246894","15.521","0.007","21.92","0.011","23.657","0.011","90","","101.131","0.006","90","","7897","6","296","2","296.15","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C77.78 H76.08 B F4 N13.89 O18.94 Zn3 -","- C77.7736 H76.0746 B F4 N13.8884 O18.9434 Zn3 -","- C311.094 H304.298 B4 F16 N55.5536 O75.7736 Zn12 -","4","1","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.0945","0.0539","","","0.1359","0.1551","","","","","","1.017","","","","has coordinates,has disorder","286082","2023-09-05","19:32:43",""
"7246895","15.5019","0.0012","21.9566","0.0017","23.6652","0.0018","90","","101.326","0.001","90","","7898","1.1","296.15","","296.15","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C78 H78 Cl N14 O23.11 Zn3 -","- C78 H78 Cl N14 O23.098 Zn3 -","- C312 H312 Cl4 N56 O92.392 Zn12 -","4","1","","Guo, Runzhong; Liu, Yuchen; Wang, Zhibin; Wang, Haiying; Liu, Huiyan","Anion-dependent dynamic structure and tunable luminescence of Zn-MOFs with carboxyphenyl-terpyridine ligands","CrystEngComm","2023","25","29","4157","4166","10.1039/D3CE00405H","","","0.71073","MoKα","","0.0864","0.06","","","0.1524","0.1673","","","","","","1.046","","","","has coordinates,has disorder","286082","2023-09-05","19:32:43",""
"7246896","16.2967","0.0005","6.5799","0.0003","11.8991","0.0005","90","","126.545","0.003","90","","1025.08","0.08","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C H8 B9 I N2 -","- C H8 B9 I N2 -","- C4 H32 B36 I4 N8 -","4","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.041","0.0345","","","0.0834","0.087","","","","","","1.083","","","","has coordinates","286112","2023-09-05","19:41:31",""
"7246897","6.4442","0.0005","8.1244","0.0007","10.6645","0.0008","85.078","0.005","82.012","0.005","74.701","0.003","532.62","0.07","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C3 H15 B9 S -","- C3 H15 B9 S -","- C6 H30 B18 S2 -","2","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.1233","0.0995","","","0.288","0.3007","","","","","","1.234","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246898","9.9849","0.0002","14.325","0.0003","10.8831","0.0002","90","","102.415","0.001","90","","1520.25","0.05","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C7 H16 B9 Cl2 N -","- C7 H16 B9 Cl2 N -","- C28 H64 B36 Cl8 N4 -","4","2","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.0591","0.0482","","","0.1184","0.125","","","","","","1.04","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246899","10.1476","0.0004","10.8518","0.0005","13.7392","0.0006","90","","130.476","0.003","90","","1150.87","0.1","195","2","195","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H14 B9 N -","- C6 H14 B9 N -","- C24 H56 B36 N4 -","4","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.0662","0.0564","","","0.1502","0.1613","","","","","","1.024","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246900","9.0602","0.0001","16.8803","0.0001","22.9672","0.0002","104.577","0.005","92.623","0.004","90.179","0.005","3395.56","0.09","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H110 B18 Br2 N10 -","- C46 H110 B18 Br2 N10 -","- C92 H220 B36 Br4 N20 -","2","1","","Pietrzak, Anna; Carr, Michael J.; Kaszyński, Piotr","Substituent effects on the [1-closo-CB9H10]− anion geometry: experimental and DFT studies","CrystEngComm","2023","25","26","3790","3798","10.1039/D3CE00357D","","","0.71073","MoKα","","0.0754","0.0579","","","0.1417","0.1563","","","","","","1.022","","","","has coordinates","286112","2023-09-05","19:41:32",""
"7246901","25.773","0.0019","7.57","0.0003","19.9962","0.0011","90","","111.128","0.008","90","","3639","0.4","150.01","0.1","150.01","0.1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C16 H18 O2 P S2 Tl -","- C16 H18 O2 P S2 Tl -","- C128 H144 O16 P8 S16 Tl8 -","8","1","","Firdoos, Tahira; Kumar, Pretam; Sharma, Nipunn; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K.","Thallium(i)phosphorodithioates containing intra- and intermolecular π-hole triel bonds","CrystEngComm","2023","25","26","3777","3789","10.1039/D3CE00396E","","x-ray","0.71073","MoKα","","0.0464","0.0378","","","0.0996","0.1096","","","","","","0.828","","","","has coordinates","286111","2023-09-05","19:41:18",""
"7246902","10.5578","0.0007","8.6342","0.0004","19.878","0.0013","90","","101.343","0.006","90","","1776.65","0.19","150.01","0.1","150.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 O2 P S2 Tl -","- C16 H18 O2 P S2 Tl -","- C64 H72 O8 P4 S8 Tl4 -","4","1","","Firdoos, Tahira; Kumar, Pretam; Sharma, Nipunn; Gomila, Rosa M.; Frontera, Antonio; Sood, Puneet; Pandey, Sushil K.","Thallium(i)phosphorodithioates containing intra- and intermolecular π-hole triel bonds","CrystEngComm","2023","25","26","3777","3789","10.1039/D3CE00396E","","x-ray","0.71073","MoKα","","0.0926","0.0576","","","0.126","0.1577","","","","","","0.99","","","","has coordinates","286111","2023-09-05","19:41:21",""
"7246903","11.6052","0.0007","15.1797","0.001","12.7681","0.0013","90","","116.773","0.003","90","","2008.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H26 N2 O13 U -","- C12 H22 N2 O13 U -","- C48 H88 N8 O52 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0204","0.0187","","","0.0454","0.0464","","","","","","1.049","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246904","7.382","0.0005","23.3063","0.0018","8.5496","0.0007","90","","113.584","0.002","90","","1348.07","0.18","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H13 O9 P U -","- C9 H13 O9 P U -","- C36 H52 O36 P4 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0233","0.0224","","","0.0512","0.0516","","","","","","1.096","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246905","11.6822","0.0006","15.3912","0.0008","11.7959","0.0005","90","","115.56","0.0016","90","","1913.37","0.16","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H38 N8 O21 U2 -","- C22 H38 N8 O21 U2 -","- C44 H76 N16 O42 U4 -","2","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0295","0.0292","","","0.0747","0.075","","","","","","1.04","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246906","12.4106","0.0007","17.241","0.0009","23.5189","0.0014","90","","102.782","0.002","90","","4907.7","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H46 N6 Ni O23 U2 -","- C40 H44 N6 Ni O23 U2 -","- C160 H176 N24 Ni4 O92 U8 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0373","0.0364","","","0.0927","0.0934","","","","","","1.069","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246907","11.3872","0.0004","11.5224","0.0004","12.7894","0.0005","114.797","0.0013","98.3735","0.0014","110.77","0.0013","1335.95","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H64 Cu N6 O22 U2 -","- C36 H64 Cu N6 O22 U2 -","- C36 H64 Cu N6 O22 U2 -","1","0.5","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0206","0.0186","","","0.0409","0.0417","","","","","","1.074","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246908","12.4847","0.0007","17.0888","0.0011","23.5455","0.0016","90","","103.131","0.002","90","","4892.1","0.5","100","2","100","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C40 H46 Cu N6 O23 U2 -","- C40 H44 Cu N6 O23 U2 -","- C160 H176 Cu4 N24 O92 U8 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0296","0.0292","","","0.0704","0.0706","","","","","","1.044","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246909","11.4827","0.0004","14.2168","0.0005","17.799","0.0006","90","","92.2934","0.0015","90","","2903.31","0.17","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N O10 P U -","- C29 H30 N O10 P U -","- C116 H120 N4 O40 P4 U4 -","4","1","","Thuéry, Pierre; Atoini, Youssef; Harrowfield, Jack","Triple-armed aliphatic tricarboxylic acids as sources of ligands for uranyl ion: influence of bridgehead functionalization","CrystEngComm","2023","25","27","3904","3915","10.1039/D3CE00526G","","","0.71073","MoKα","","0.0238","0.0206","","","0.0527","0.0554","","","","","","1.054","","","","has coordinates","286097","2023-09-05","19:37:27",""
"7246910","6.3646","0.0004","6.3135","0.0003","8.8975","0.0004","90","","110.334","0.006","90","","335.25","0.03","160","2","160","2","","","","","","","","5","P 1 21/m 1","-P 2yb","11","sodium vanadyl phosphate carbonate","trisodium vanadyl phosphate carbonate","","- C Na3 O8 P V -","- C Na3 O8 P V -","- C2 Na6 O16 P2 V2 -","2","0.5","","Yakubovich, Olga; Kiriukhina, Galina; Simonov, Sergey; Volkov, Anatoly; Dimitrova, Olga","Na3(VO)(PO4)(CO3): a synthetic member of the bradleyite phosphate carbonate family with a new type of crystal structure","CrystEngComm","2023","25","28","4024","4032","10.1039/D3CE00323J","","","0.71073","MoKα","","0.0214","0.0204","","","0.0464","0.0468","","","","","","1.266","","","","has coordinates","286091","2023-09-05","19:36:15",""
"7246911","9.641","0.002","9.739","0.002","11.262","0.002","97.39","0.02","101.51","0.02","113.55","0.02","924","0.4","240","2","240","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 N4 O10 P3 -","- C10 H20 N4 O10 P3 -","- C20 H40 N8 O20 P6 -","2","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","0.71073","MoKα","","0.0824","0.0426","","","0.1116","0.1255","","","","","","1.085","","","","has coordinates,has disorder","286113","2023-09-05","19:41:43",""
"7246912","7.327","0.002","8.018","0.002","9.174","0.003","113.48","0.03","106.06","0.03","90.3","0.02","470.9","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C5 H10 N2 O6 P2 -","- C5 H10 N2 O6 P2 -","- C10 H20 N4 O12 P4 -","2","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","0.71073","MoKα","","0.0577","0.0536","","","0.1516","0.1579","","","","","","1.07","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246913","8.001","0.002","8.69","0.002","13.612","0.003","79.88","0.02","73.43","0.02","84.7","0.02","892.1","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H36 N8 O18 P6 -","- C20 H36 N8 O18 P6 -","- C20 H36 N8 O18 P6 -","1","0.5","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","1.5418","CuKα","","0.0712","0.0666","","","0.194","0.1974","","","","","","1.118","","","","has coordinates,has disorder","286113","2023-09-05","19:41:43",""
"7246914","12.014","0.002","13.556","0.002","12.259","0.002","90","","90","","90","","1996.5","0.6","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C15 H22 N6 O6 P2 -","- C15 H22 N6 O6 P2 -","- C60 H88 N24 O24 P8 -","4","1","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","1.5418","CuKα","","0.029","0.0284","","","0.0751","0.0755","","","","","","1.046","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246915","12.0257","0.0013","14.6592","0.0014","12.1537","0.0011","90","","106.49","0.02","90","","2054.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H48 N12 O14 P4 -","- C30 H48 N12 O14 P4 -","- C60 H96 N24 O28 P8 -","2","0.5","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","1.5418","CuKα","","0.0258","0.0253","","","0.0686","0.069","","","","","","1.056","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246916","10.6024","0.0014","13.234","0.002","13.848","0.002","73.1","0.02","81.56","0.02","81.96","0.02","1829.3","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H20 N4 O10 P3 -","- C10 H20 N4 O10 P3 -","- C40 H80 N16 O40 P12 -","4","2","","Budzikur-Maciąg, Daria; Kinzhybalo, Vasyl; Ślepokura, Katarzyna","Structural variety and dehydration in 3-aminopyridine–hypodiphosphoric acid–water system","CrystEngComm","2023","25","26","3826","3836","10.1039/D3CE00186E","","","0.71073","MoKα","","0.0911","0.0455","","","0.1134","0.1282","","","","","","1.063","","","","has coordinates","286113","2023-09-05","19:41:43",""
"7246917","7.9325","0.0003","7.8534","0.0004","15.8599","0.0008","90","","99.753","0.002","90","","973.75","0.08","193","","193","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C26 H12 N4 O -","- C26 H12 N4 O -","- C52 H24 N8 O2 -","2","1","","Wang, Shuai; Xiang, Wenxin; Pan, Chen; Chen, Jinqiu; Li, Wenju; Zhang, Jing; Zhao, Jianfeng; Liu, Guangfeng","Changes in piezochromic luminescence of a charge transfer complex subjected to grinding and isotropic compression","CrystEngComm","2023","25","27","3861","3865","10.1039/D3CE00447C","","","0.71073","MoKα","","0.0853","0.074","","","0.2023","0.2152","","","","","","1.07","","","","has coordinates","286098","2023-09-05","19:37:35",""
"7246918","7.9376","0.0008","7.9412","0.0008","15.8417","0.0018","93.49","0.009","100.212","0.008","92.313","0.008","979.59","0.18","193","","193","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H12 N4 O -","- C26 H12 N4 O -","- C52 H24 N8 O2 -","2","1","","Wang, Shuai; Xiang, Wenxin; Pan, Chen; Chen, Jinqiu; Li, Wenju; Zhang, Jing; Zhao, Jianfeng; Liu, Guangfeng","Changes in piezochromic luminescence of a charge transfer complex subjected to grinding and isotropic compression","CrystEngComm","2023","25","27","3861","3865","10.1039/D3CE00447C","","","1.54178","CuKα","","0.1449","0.105","","","0.291","0.3339","","","","","","1.111","","","","has coordinates,has disorder","286098","2023-09-05","19:37:35",""
"7246919","18.6359","0.0006","11.9828","0.0006","17.9652","0.0007","90","","103.225","0.003","90","","3905.4","0.3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C70 H64 Cl4 Cu2 N16 O12 S8 -","- C70 H64 Cl4 Cu2 N16 O12 S8 -","- C140 H128 Cl8 Cu4 N32 O24 S16 -","2","0.25","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.0641","0.0437","","","0.1027","0.1122","","","","","","1.042","","","","has coordinates,has disorder","286090","2023-09-05","19:36:08",""
"7246920","8.0501","0.0001","12.563","0.0002","12.6704","0.0002","68.686","0.001","78.062","0.001","89.674","0.001","1164.54","0.03","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C19 H18 Ag F6 N4 P S2 -","- C19 H18 Ag F6 N4 P S2 -","- C38 H36 Ag2 F12 N8 P2 S4 -","2","1","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.0358","0.0293","","","0.0678","0.0705","","","","","","1.039","","","","has coordinates,has disorder","286090","2023-09-05","19:36:08",""
"7246921","7.9319","0.0003","23.068","0.001","11.7359","0.0005","90","","91.872","0.002","90","","2146.21","0.15","173","2","173","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Ag Cl2 N4 O3 S2 -","- C18 H17 Ag Cl2 N4 O3 S2 -","- C72 H68 Ag4 Cl8 N16 O12 S8 -","4","1","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.1231","0.1014","","","0.2508","0.2663","","","","","","1.029","","","","has coordinates","286090","2023-09-05","19:36:08",""
"7246922","9.8728","0.0008","10.2889","0.0009","10.9536","0.0009","80.721","0.005","87.251","0.005","73.377","0.004","1052.22","0.15","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H17 Ag Cl3 N3 O4 S2 -","- C18 H17 Ag Cl3 N3 O4 S2 -","- C36 H34 Ag2 Cl6 N6 O8 S4 -","2","1","","Lee, Hyeong-Hwan; Oh, Jihye; Lee, Shim Sung; Park, In-Hyeok","Preparation of one-dimensional coordination polymers of a flexible tripyridyl disulfide with diverse topologies","CrystEngComm","2023","25","28","4033","4038","10.1039/D3CE00457K","","","0.71073","MoKα","","0.1505","0.1429","","","0.4537","0.4768","","","","","","1.009","","","","has coordinates,has disorder","286090","2023-09-05","19:36:08",""
"7246923","13.2718","0.0001","9.2515","0.0001","27.958","0.0002","90","","90.371","0.001","90","","3432.72","0.05","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","monoclinic","","- C40 H43 N3 O7 Zn -","- C40 H43 N3 O7 Zn -","- C160 H172 N12 O28 Zn4 -","4","1","","Hu, Hui; Zhang, Zhen-Wei; Zhang, Da-Shuai; Zhou, Xue; Ji, Hui; Zhang, Yong-Zheng; Deng, Yuchen; Geng, Longlong; Zhang, Xiuling; Lv, Chao; Wei, Rongmin; Wang, Jin-Hua","Modulating the luminescent performances on blue-emitting coordination polymers via tuning the end-solvent molecules","CrystEngComm","2023","25","27","3896","3903","10.1039/D3CE00551H","","x-ray","1.54178","CuKα","","0.0295","0.0294","","","0.0793","0.0793","","","","","","1.063","","","","has coordinates","286093","2023-09-05","19:36:45",""
"7246924","17.1162","0.001","6.8868","0.0004","25.8217","0.0015","90","","98.038","0.002","90","","3013.9","0.3","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","monoclinic","","- C34 H30 N2 O6 Zn -","- C34 H30 N2 O6 Zn -","- C136 H120 N8 O24 Zn4 -","4","0.5","","Hu, Hui; Zhang, Zhen-Wei; Zhang, Da-Shuai; Zhou, Xue; Ji, Hui; Zhang, Yong-Zheng; Deng, Yuchen; Geng, Longlong; Zhang, Xiuling; Lv, Chao; Wei, Rongmin; Wang, Jin-Hua","Modulating the luminescent performances on blue-emitting coordination polymers via tuning the end-solvent molecules","CrystEngComm","2023","25","27","3896","3903","10.1039/D3CE00551H","","","0.71073","MoKα","","0.045","0.0356","","","0.0866","0.0907","","","","","","1.087","","","","has coordinates","286093","2023-09-05","19:36:46",""
"7246925","16.874","0.003","6.9253","0.0011","28.607","0.005","90","","91.96","0.01","90","","3341","1","293","2","293.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H36 N2 O6 Zn -","- C38 H36 N2 O6 Zn -","- C152 H144 N8 O24 Zn4 -","4","0.5","","Hu, Hui; Zhang, Zhen-Wei; Zhang, Da-Shuai; Zhou, Xue; Ji, Hui; Zhang, Yong-Zheng; Deng, Yuchen; Geng, Longlong; Zhang, Xiuling; Lv, Chao; Wei, Rongmin; Wang, Jin-Hua","Modulating the luminescent performances on blue-emitting coordination polymers via tuning the end-solvent molecules","CrystEngComm","2023","25","27","3896","3903","10.1039/D3CE00551H","","","0.71073","MoKα","","0.0716","0.0609","","","0.1728","0.1815","","","","","","1.109","","","","has coordinates","286093","2023-09-05","19:36:46",""
"7246926","9.867","0.0005","12.0062","0.0007","13.1276","0.0006","115.459","0.005","93.033","0.004","91.808","0.004","1399.63","0.14","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","1","1","","Zhang, Le-Tian; Fu, Zi-Xuan; Yin, Jia-Cheng; Liu, Ming; Zhang, Yin-Qiang; Lan, Lan; Li, Na; Bu, Xian-He","UV and X-ray dual-induced photochromism in a benzophenone-based metal–organic framework for inkless erasable printing","CrystEngComm","2023","25","28","4019","4023","10.1039/D3CE00398A","","","1.54178","CuKα","","0.0398","0.0378","","","0.1062","0.1086","","","","","","1.063","","","","has coordinates","286092","2023-09-05","19:36:24",""
"7246927","9.8663","0.0003","11.9838","0.0006","13.1236","0.0005","115.559","0.004","93.042","0.003","91.661","0.003","1395.54","0.11","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","- C37 H19 N O21 Zn4 -","1","1","","Zhang, Le-Tian; Fu, Zi-Xuan; Yin, Jia-Cheng; Liu, Ming; Zhang, Yin-Qiang; Lan, Lan; Li, Na; Bu, Xian-He","UV and X-ray dual-induced photochromism in a benzophenone-based metal–organic framework for inkless erasable printing","CrystEngComm","2023","25","28","4019","4023","10.1039/D3CE00398A","","","1.54178","CuKα","","0.0346","0.0323","","","0.0934","0.097","","","","","","1.039","","","","has coordinates","286092","2023-09-05","19:36:24",""
"7246928","12.952","0.0009","13.4792","0.001","15.8481","0.0012","110.169","0.002","113.276","0.002","90.899","0.003","2348.4","0.3","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H33.52 Cl6 Mn N2 -","- C14 H34 Cl6 Mn N2 -","- C56 H136 Cl24 Mn4 N8 -","4","2","","Zhang, Yinan; Cai, Zhuoer; Zhang, Xinyi; Xiao, Shiyue; Liu, Xianmin; Zhao, Yingyi; Hua, Xiu-Ni; Sun, Baiwang","Dielectric and optical properties of a new organic–inorganic hybrid phase transition material","CrystEngComm","2023","25","30","4284","4289","10.1039/D3CE00454F","","x-ray","0.71073","MoKα","","0.1144","0.078","","","0.1954","0.2177","","","","","","1.052","","","","has coordinates,has disorder","286116","2023-09-05","19:42:37",""
"7246929","9.2031","0.0009","9.2031","0.0009","14.662","0.002","90","","90","","90","","1241.8","0.2","340","","340","","","","","","","","","5","P 42/n m c :2","-P 4ac 2a","137","","","","- C14 H34 Cl6 Mn N2 -","- C14 H34 Cl6 Mn N -","- C28 H68 Cl12 Mn2 N2 -","2","0.125","","Zhang, Yinan; Cai, Zhuoer; Zhang, Xinyi; Xiao, Shiyue; Liu, Xianmin; Zhao, Yingyi; Hua, Xiu-Ni; Sun, Baiwang","Dielectric and optical properties of a new organic–inorganic hybrid phase transition material","CrystEngComm","2023","25","30","4284","4289","10.1039/D3CE00454F","","x-ray","0.71073","MoKα","","0.1212","0.0898","","","0.3186","0.3564","","","","","","1.4","","","","has coordinates,has disorder","286116","2023-09-05","19:42:38",""
"7246930","37.455","0.0014","36.5541","0.0014","11.0255","0.0002","90","","90","","90","","15095.4","0.9","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C112 H84 Mn4 N16 O26 -","- C112 H84 Mn4 N16 O26 -","- C448 H336 Mn16 N64 O104 -","4","0.5","","Yin, Jia-Ling; Yan, Qing-Qing; Liu, Yu-Xin; Yong, Guo-Ping","From zero-dimensional metallomacrocycle to three-dimensional metal–organic frameworks mediated by solvent polarity: near-white light emissions and gas adsorption properties","CrystEngComm","2023","25","31","4435","4444","10.1039/D3CE00476G","","x-ray","1.54184","CuKα","","0.135","0.0883","","","0.2529","0.2972","","","","","","0.994","","","","has coordinates","286118","2023-09-05","19:43:01",""
"7246931","11.4539","0.0013","25.379","0.002","10.1811","0.0007","90","","99.143","0.009","90","","2921.9","0.5","104","6","104","6","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H16 Mn N4 O4 -","- C28 H16 Mn N4 O4 -","- C112 H64 Mn4 N16 O16 -","4","1","","Yin, Jia-Ling; Yan, Qing-Qing; Liu, Yu-Xin; Yong, Guo-Ping","From zero-dimensional metallomacrocycle to three-dimensional metal–organic frameworks mediated by solvent polarity: near-white light emissions and gas adsorption properties","CrystEngComm","2023","25","31","4435","4444","10.1039/D3CE00476G","","x-ray","1.54184","CuKα","","0.1517","0.0925","","","0.1925","0.2189","","","","","","1.042","","","","has coordinates","286118","2023-09-05","19:43:01",""
"7246932","33.5391","0.0018","13.3893","0.0012","12.2796","0.0006","90","","98.383","0.005","90","","5455.4","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H34 N2 O11 Zn2 -","- C50 H34 N2 O11 Zn2 -","- C200 H136 N8 O44 Zn8 -","4","1","","Yin, Jia-Ling; Yan, Qing-Qing; Liu, Yu-Xin; Yong, Guo-Ping","From zero-dimensional metallomacrocycle to three-dimensional metal–organic frameworks mediated by solvent polarity: near-white light emissions and gas adsorption properties","CrystEngComm","2023","25","31","4435","4444","10.1039/D3CE00476G","","","1.54184","CuKα","","0.2494","0.1876","","","0.4432","0.4805","","","","","","1.199","","","","has coordinates","286118","2023-09-05","19:43:01",""
"7246933","9.5646","0.0011","3.7993","0.0005","13.5636","0.0017","90","","106.084","0.013","90","","473.59","0.11","113.15","","113.15","","","","","","","","","4","P 1 n 1","P -2yac","7","","Dimethyl 5-aminoisophthalate","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C20 H22 N2 O8 -","2","1","","Gao, Lijie; Wang, Meng; Li, Shuyu; Chen, Kui; Zhou, Lina; Li, Xin; Wang, Na; Huang, Xin; Hao, Hongxun; Wang, Ting","Real-time fluorescence visualization of the evaporation crystallization process based on the AIEE mechanism","CrystEngComm","2023","25","28","4064","4075","10.1039/D3CE00232B","","","0.71073","MoKα","","0.0722","0.0637","","","0.1799","0.1842","","","","","","1.049","","","","has coordinates","286087","2023-09-05","19:35:34",""
"7246934","7.1188","0.0014","18.663","0.004","7.959","0.0016","90","","106.09","0.03","90","","1016","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3,5-Dicarbomethoxyaniline;3-benzenedicarboxylicacid,5-amino-dimethylester;5-Amino-1,3-isophthalic","Dimethyl 5-aminoisophthalate","","- C10 H11 N O4 -","- C10 H11 N O4 -","- C40 H44 N4 O16 -","4","1","","Gao, Lijie; Wang, Meng; Li, Shuyu; Chen, Kui; Zhou, Lina; Li, Xin; Wang, Na; Huang, Xin; Hao, Hongxun; Wang, Ting","Real-time fluorescence visualization of the evaporation crystallization process based on the AIEE mechanism","CrystEngComm","2023","25","28","4064","4075","10.1039/D3CE00232B","","","0.71073","MoKα","","0.0752","0.053","","","0.1588","0.1765","","","","","","1.008","","","","has coordinates","286087","2023-09-05","19:35:34",""
"7246935","9.3469","0.0004","9.976","0.0004","17.9902","0.0008","79.743","0.001","86.729","0.001","67.295","0.001","1522.64","0.11","189","2","189","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29 N2 O11.5 Zn2 -","- C29 H29 N2 O11.5 Zn2 -","- C58 H58 N4 O23 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","0.71073","MoKα","","0.0529","0.0463","","","0.1282","0.1335","","","","","","1.027","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246936","9.1845","0.0003","9.9874","0.0003","18.5249","0.0005","79.721","0.002","86.064","0.002","68.155","0.003","1551.94","0.09","233","2","233.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27.8 N2 O10.9 Zn2 -","- C29 H27.8 N2 O10.9 Zn2 -","- C58 H55.6 N4 O21.8 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","1.54184","CuKα","","0.0984","0.077","","","0.2216","0.2374","","","","","","1.052","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246937","9.351","0.0002","9.9976","0.0002","18.0428","0.0004","80.1","0.002","87.289","0.002","67.583","0.002","1535.78","0.06","100","2","100.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H29.8 N2 O11.9 Zn2 -","- C29 H29.8 N2 O11.9 Zn2 -","- C58 H59.6 N4 O23.8 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","1.54184","CuKα","","0.0579","0.0534","","","0.1397","0.1435","","","","","","1.029","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246938","8.717","0.001","9.9589","0.0012","19.6815","0.0014","78.835","0.009","84.141","0.009","69.71","0.011","1571.1","0.3","233","2","233.15","","","","","","","","","5","P -1","-P 1","2","","","","- C29 H27.7 N2 O10.85 Zn2 -","- C29 H27.7 N2 O10.85 Zn2 -","- C58 H55.4 N4 O21.7 Zn4 -","2","1","","Xiao, Cheng-Yue; Deng, Xi-Ling; Wei, Zan-Bin; Yang, Shi-Yao","Research on single-crystal-to-single-crystal photoaddition and extension of Schmidt's rule in topological chemistry","CrystEngComm","2023","25","26","3714","3717","10.1039/D3CE00443K","","","1.54184","CuKα","","0.1166","0.089","","","0.2524","0.3068","","","","","","1.175","","","","has coordinates,has disorder","286114","2023-09-05","19:41:58",""
"7246939","5.2503","0.0005","16.2082","0.0013","12.1305","0.0019","90","","99.976","0.013","90","","1016.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 F N O2 -","- C11 H12 F N O2 -","- C44 H48 F4 N4 O8 -","4","1","","Hu, Fangzhi; Sun, Zhipeng; Pan, Mengzhe; Wang, Liang; Xu, Lubin; Liu, Xiong-Li; Li, Shuai-Shuai","Divergent synthesis of nitrogen heterocycles via H2O-mediated hydride transfer reactions","Green Chemistry","2023","25","13","5134","5141","10.1039/D3GC00166K","","","1.54184","CuKα","","0.1142","0.0665","","","0.1672","0.2021","","","","","","1.031","","","","has coordinates","286143","2023-09-05","19:57:34",""
"7246940","7.6044","0.0005","9.6671","0.0006","31.908","0.002","90","","90","","90","","2345.6","0.3","193","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H25 N O8 -","- C26 H25 N O8 -","- C104 H100 N4 O32 -","4","1","","Fu, Yun-Dong; Gao, Xiang; Jia, Shi-Kun; Xiao, Xiao; Wang, Min-Can; Huang, Lihua; Mei, Guang-Jian","Catalyst-free racemic and H2O/CPA-catalyzed asymmetric regio-reversed domino processes of triketone enones with azlactones","Green Chemistry","2023","25","14","5692","5697","10.1039/D3GC01445B","","x-ray","1.34139","GaKα","","0.0623","0.0521","","","0.1154","0.1214","","","","","","1.091","","","","has coordinates,has disorder","286147","2023-09-05","19:58:08",""
"7246941","24.16","0.0005","14.7868","0.0003","33.2539","0.0011","90","","103.708","0.003","90","","11541.5","0.5","109.3","0.8","109.3","0.8","","","","","","","","6","P 1 21 1","P 2yb","4","","Boc-L-Pro-Mn-Anderson","","- C81 H161.5 Mn Mo6 N9.5 O30 -","- C81 H161.5 Mn Mo6 N9.5 O30 -","- C324 H646 Mn4 Mo24 N38 O120 -","4","2","","Dai, Guoyong; Li, Qi; Zang, Dejin; Wei, Yongge","A bifunctional molecular catalyst built up of l-proline grafted polyoxometalate for one-pot three-component green synthesis of heterocycles","Green Chemistry","2023","25","16","6263","6269","10.1039/D3GC00951C","","x-ray","1.54184","CuKα","","0.1161","0.0872","","","0.2165","0.2342","","","","","","1.042","","","","has coordinates,has disorder","286140","2023-09-05","19:57:05",""
"7246942","33.5555","0.0004","30.4959","0.0004","9.33799","0.00009","90","","90","","90","","9555.61","0.19","293","2","293","2","","","","","","","","7","P 21 21 2","P 2 2ab","18","","L-Pro-Mn-Anderson","","- C46 H106 Mn Mo7.5 N4 O44 S14 -","- C40 H98 Mn Mo7.5 N4 O41 S11 -","- C160 H392 Mn4 Mo30 N16 O164 S44 -","4","1","","Dai, Guoyong; Li, Qi; Zang, Dejin; Wei, Yongge","A bifunctional molecular catalyst built up of l-proline grafted polyoxometalate for one-pot three-component green synthesis of heterocycles","Green Chemistry","2023","25","16","6263","6269","10.1039/D3GC00951C","","x-ray","1.54184","CuKα","","0.0533","0.0482","","","0.1165","0.1195","","","","","","1.043","","","","has coordinates,has disorder","286140","2023-09-05","19:57:05",""
"7246944","25.526","0.006","5.3037","0.0018","23.743","0.006","90","","116.39","0.009","90","","2879.4","1.4","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C42 H26 N2 O4 -","- C42 H26 N2 O4 -","- C168 H104 N8 O16 -","4","0.5","","Sosorev, Andrey Yu; Ponomarev, Igor I.; Dominskiy, Dmitry I.; Lyssenko, Konstantin A.; Parashchuk, Olga D.; Trukhanov, Vasily A.; Konstantinov, Vladislav G.; Dubinets, Nikita O.; Paraschuk, Dmitry Yu","Structure and properties of naphthalene-diimide <i>N</i>-functionalized with stilbene.","Physical chemistry chemical physics : PCCP","2023","25","29","19562","19575","10.1039/d3cp01582c","","","0.71073","MoKα","","0.0829","0.0596","","","0.1479","0.1677","","","","","","1.029","","","","has coordinates","285527","2023-08-05","09:35:33",""
"7246949","14.312","0.016","8.755","0.01","25.39","0.03","90","","95.79","0.02","90","","3165","6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H19 Ag N16 -","- C30 H19 Ag N16 -","- C120 H76 Ag4 N64 -","4","1","","Kang, Hai-Peng; Zhou, Han-Chen; Tang, Xiong; Liu, Chang; Li, Yong-Hua; Zhang, Hao-Zhe; Su, Jian; Ferbinteanu, Marilena; Wu, Hua-Yu; Wang, Shi","An AIE-active tetraphenylethene functionalized silver-tetrazolate coordination polymer for selective fluorescence sensing of explosives","CrystEngComm","2023","25","29","4231","4237","10.1039/D3CE00598D","","","0.71073","MoKα","","0.1042","0.0514","","","0.1132","0.1477","","","","","","1.05","","","","has coordinates","286083","2023-09-05","19:32:51",""
"7246950","12.4459","0.0002","27.609","0.0004","4.7734","0.0001","90","","90","","90","","1640.23","0.05","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C23 H16 F N O -","- C23 H16 F N O -","- C92 H64 F4 N4 O4 -","4","1","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","1.54184","CuKα","","0.0313","0.0299","","","0.0786","0.0794","","","","","","1.065","","","","has coordinates","286149","2023-09-05","19:58:36",""
"7246951","4.8075","0.0001","27.2149","0.0004","12.4496","0.0002","90","","92.523","0.001","90","","1627.27","0.05","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N O -","- C23 H17 N O -","- C92 H68 N4 O4 -","4","1","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","1.54184","CuKα","","0.0454","0.0402","","","0.0932","0.0957","","","","","","1.062","","","","has coordinates","286149","2023-09-05","19:58:38",""
"7246952","6.3822","0.0004","10.211","0.0008","11.3886","0.0012","84.533","0.007","89.069","0.007","74.931","0.006","713.37","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H16 O -","- C20 H16 O -","- C40 H32 O2 -","2","1","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","1.54184","CuKα","","0.1453","0.1351","","","0.3868","0.3906","","","","","","1.171","","","","has coordinates","286149","2023-09-05","19:58:38",""
"7246953","12.0444","0.0009","5.6218","0.0003","27.7622","0.0017","90","","99.864","0.007","90","","1852","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N O3 -","- C23 H23 N O3 -","- C92 H92 N4 O12 -","4","1","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","0.71073","MoKα","","0.127","0.053","","","0.0972","0.1166","","","","","","0.992","","","","has coordinates","286149","2023-09-05","19:58:38",""
"7246954","13.198","0.0002","5.6188","0.0001","18.6771","0.0003","90","","97.268","0.001","90","","1373.91","0.04","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N O -","- C19 H15 N O -","- C76 H60 N4 O4 -","4","1","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","1.54184","CuKα","","0.0607","0.0564","","","0.152","0.1564","","","","","","1.025","","","","has coordinates","286149","2023-09-05","19:58:38",""
"7246955","5.6809","0.0002","13.8095","0.0005","21.8999","0.0009","90","","91.229","0.003","90","","1717.66","0.11","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 F N O -","- C24 H18 F N O -","- C96 H72 F4 N4 O4 -","4","1","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","1.54184","CuKα","","0.1488","0.1448","","","0.4312","0.4329","","","","","","1.091","","","","has coordinates","286149","2023-09-05","19:58:38",""
"7246956","19.3497","0.0007","7.1784","0.0002","12.8947","0.0005","90","","103.665","0.004","90","","1740.37","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O3 -","- C22 H21 N O3 -","- C88 H84 N4 O12 -","4","1","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","1.54184","CuKα","","0.0509","0.0446","","","0.1391","0.1443","","","","","","1.096","","","","has coordinates","286149","2023-09-05","19:58:38",""
"7246957","7.6458","0.0002","6.1433","0.0001","66.279","0.002","90","","91.529","0.002","90","","3112.05","0.13","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 O2 -","- C21 H18 O2 -","- C168 H144 O16 -","8","2","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","1.54184","CuKα","","0.1323","0.1298","","","0.348","0.3493","","","","","","1.09","","","","has coordinates","286149","2023-09-05","19:58:38",""
"7246958","5.4064","0.0001","9.6437","0.0001","36.2282","0.0005","90","","90","","90","","1888.86","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Kehoe, Roberta A.; Light, Mark E.; Jones, David J.; McGlacken, Gerard P.","A phosphine free, inorganic base free, one-pot tandem Mizoroki–Heck olefination/direct arylation/hydrogenation sequence, to give multicyclic alkylated heteroarenes","Green Chemistry","2023","25","14","5654","5660","10.1039/D3GC01403G","","x-ray","1.54184","CuKα","","0.0311","0.0293","","","0.0739","0.0751","","","","","","1.029","","","","has coordinates","286149","2023-09-05","19:58:38",""
"7246960","8.8648","0.0006","4.5145","0.0004","16.948","0.0016","90","","97.83","0.008","90","","671.94","0.1","140","1","140","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2A","","- C7 H5 N S -","- C7 H5 N S -","- C28 H20 N4 S4 -","4","1","","Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak","Quantitative evaluation of the electronic features involving ""nucleophilic-electrophilic"" character in the chalcogen sulfur.","Physical chemistry chemical physics : PCCP","2023","25","29","19427","19434","10.1039/d3cp02526h","","","0.71073","MoKα","","0.094","0.0893","","","0.2264","0.2285","","","","","","1.243","","","","has coordinates","285529","2023-08-05","09:35:48",""
"7246961","7.23","0.0004","7.9881","0.0004","8.7762","0.0005","90","","91.799","0.003","90","","506.61","0.05","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1B","","- C5 H4 O S -","- C5 H4 O S -","- C20 H16 O4 S4 -","4","1","","Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak","Quantitative evaluation of the electronic features involving ""nucleophilic-electrophilic"" character in the chalcogen sulfur.","Physical chemistry chemical physics : PCCP","2023","25","29","19427","19434","10.1039/d3cp02526h","","","0.71073","MoKα","","0.0449","0.0375","","","0.094","0.0983","","","","","","1.06","","","","has coordinates","285529","2023-08-05","09:35:49",""
"7246962","5.5255","0.0001","5.9089","0.0001","16.0342","0.0004","90","","90","","90","","523.511","0.018","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1A","","- C5 H4 O S -","- C5 H4 O S -","- C20 H16 O4 S4 -","4","1","","Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak","Quantitative evaluation of the electronic features involving ""nucleophilic-electrophilic"" character in the chalcogen sulfur.","Physical chemistry chemical physics : PCCP","2023","25","29","19427","19434","10.1039/d3cp02526h","","","0.71073","MoKα","","0.0315","0.0311","","","0.0881","0.0886","","","","","","1.112","","","","has coordinates","285529","2023-08-05","09:35:49",""
"7246963","13.2687","0.0004","7.8122","0.0002","8.0302","0.0002","90","","91.369","0.002","90","","832.15","0.04","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2B","","- C8 H4 F3 N S -","- C8 H4 F3 N S -","- C32 H16 F12 N4 S4 -","4","1","","Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak","Quantitative evaluation of the electronic features involving ""nucleophilic-electrophilic"" character in the chalcogen sulfur.","Physical chemistry chemical physics : PCCP","2023","25","29","19427","19434","10.1039/d3cp02526h","","","0.71073","MoKα","","0.0448","0.0337","","","0.0773","0.0837","","","","","","1.033","","","","has coordinates","285529","2023-08-05","09:35:49",""
"7246964","4.1013","0.0002","8.5014","0.0003","17.1726","0.0006","90","","90.856","0.002","90","","598.69","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1C","","- C5 H3 Br O S -","- C5 H3 Br O S -","- C20 H12 Br4 O4 S4 -","4","1","","Mandal, Koushik; Hasija, Avantika; Shukla, Rahul; Hathwar, Venkatesha R.; Chopra, Deepak","Quantitative evaluation of the electronic features involving ""nucleophilic-electrophilic"" character in the chalcogen sulfur.","Physical chemistry chemical physics : PCCP","2023","25","29","19427","19434","10.1039/d3cp02526h","","","0.71073","MoKα","","0.0295","0.0235","","","0.0468","0.0489","","","","","","1.068","","","","has coordinates","285529","2023-08-05","09:35:49",""
"7246973","18.3848","0.0002","34.2944","0.0004","18.6956","0.0002","90","","96.282","0.001","90","","11716.7","0.2","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C228 H234 Ag10 Cu16 F24 O19 P4 S16 -","- C216 H204 Ag10 Cu16 F24 O16 P4 S16 -","- C432 H408 Ag20 Cu32 F48 O32 P8 S32 -","2","0.5","","Sun, Xueli; Li, Simin; Tian, Guolong; Gao, Yanli; Wei, Jianyu; Shen, Hui","Ag<sub>10</sub>Cu<sub>16</sub> nanoclusters with triple-ligand protection: total structure and electronic structure analysis.","Physical chemistry chemical physics : PCCP","2023","25","27","17901","17906","10.1039/d3cp02227g","","x-ray","1.54184","CuKα","","0.0986","0.0825","","","0.2456","0.2587","","","","","","1.076","","","","has coordinates,has disorder","285531","2023-08-05","09:36:11",""
"7246974","4.9864","0.0005","10.0378","0.0011","10.0982","0.0011","72.982","0.005","83.424","0.006","79.174","0.005","473.75","0.09","100","","100","","","","","","","","","5","P -1","-P 1","2","Cd(PyImPr)-kgd-beta","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium]","","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","1","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.0815","0.0779","","","0.2047","0.2172","","","","","","1.111","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246975","4.9218","0.0002","18.328","0.0007","10.9159","0.0005","90","","97.893","0.002","90","","975.36","0.07","100.15","","100.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cd(PyImPr)2-hlz-beta","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium]","","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","- C40 H28 Cd2 N8 O16 -","2","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.0773","0.0757","","","0.1779","0.1785","","","","","","1.323","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246976","5.0968","0.0001","18.2442","0.0003","15.0256","0.0003","90","","96.058","0.001","90","","1389.38","0.05","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Cd(PyImPr)2-hlz-alpha","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium bis(dimethylformamide)]","","- C26 H28 Cd N6 O10 -","- C26 H28 Cd N6 O10 -","- C52 H56 Cd2 N12 O20 -","2","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.032","0.031","","","0.079","0.0798","","","","","","1.127","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246977","5.0173","0.0001","9.6508","0.0003","11.4756","0.0003","82.357","0.001","79.568","0.001","80.006","0.001","535.21","0.02","100","","100","","","","","","","","","5","P -1","-P 1","2","Cd(PyImPr)2-kgd-open","Catena-[bis(β-(3,4-pyridinedicarboximido)propionato)-cadmium]","","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","- C20 H14 Cd N4 O8 -","1","0.5","","Andaloussi, Yassin H.; Bezrukov, Andrey A.; Sensharma, Debobroto; Zaworotko, Michael J.","Supramolecular isomerism and structural flexibility in coordination networks sustained by cadmium rod building blocks.","CrystEngComm","2023","25","29","4175","4181","10.1039/d3ce00557g","","","1.54178","CuKα","","0.0409","0.0407","","","0.1063","0.1082","","","","","","1.054","","","","has coordinates","286080","2023-09-05","19:32:10",""
"7246978","25.238","0.005","4.988","0.001","25.694","0.005","90","","116.13","0.03","90","","2904","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H35.28 N5 O10.14 -","- C29 H35 N5 O10.1415 -","- C116 H140 N20 O40.566 -","4","2","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.6199","Synchrotron","","0.1584","0.0788","","","0.1902","0.2322","","","","","","1.015","","","","has coordinates,has disorder","286100","2023-09-05","19:38:03",""
"7246979","9.475","0.002","11.269","0.002","17.688","0.004","81.39","0.03","79.74","0.03","78.24","0.03","1806.8","0.7","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C30 H43 F1.5 N5 Na0.5 O13 -","- C30 H37 F1.5 N5 Na0.5 O13 -","- C60 H74 F3 N10 Na O26 -","2","2","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.62","Synchrotron","","0.1253","0.0856","","","0.2237","0.2516","","","","","","1.007","","","","has coordinates,has disorder","286100","2023-09-05","19:38:04",""
"7246980","31.544","0.006","9.474","0.002","15.431","0.003","90","","92.44","0.03","90","","4607.3","1.6","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C36 H51 F3 N7 O16.25 -","- C36 H42 F3 N7 O16.5 -","- C144 H168 F12 N28 O66 -","4","1","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.7","Synchrotron","","0.2494","0.133","","","0.2853","0.3484","","","","","","1.072","","","","has coordinates,has disorder","286100","2023-09-05","19:38:04",""
"7246981","9.724","0.002","33.662","0.007","9.966","0.002","90","","90.87","0.03","90","","3261.8","1.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H45 N5 O11 -","- C31 H45 N5 O11 -","- C124 H180 N20 O44 -","4","2","","Sori, Lorenzo; Pizzi, Andrea; Bergamaschi, Greta; Gori, Alessandro; Gautieri, Alfonso; Demitri, Nicola; Soncini, Monica; Metrangolo, Pierangelo","Computation meets experiment: identification of highly efficient fibrillating peptides","CrystEngComm","2023","25","32","4503","4510","10.1039/D3CE00495C","","","0.62","Synchrotron","","0.1172","0.0645","","","0.1616","0.1898","","","","","","1.006","","","","has coordinates","286100","2023-09-05","19:38:04",""
"7246982","9.5155","0.0005","20.4042","0.001","27.4702","0.0015","90","","97.945","0.002","90","","5282.3","0.5","251","","251","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H48 Co N12 O6 -","- C63 H48 Co N12 O6 -","- C252 H192 Co4 N48 O24 -","4","1","","Luo, Rong; Xu, Cun-Gang; Yu, Hai-Jun; Wu, Rui-Xue; Lu, Peng; Fan, Yu-Hua; Shao, Feng","A novel Co(ii)-based MOF with selective fluorescence as a turn-on sensor for biomarker methylmalonic acid","CrystEngComm","2023","25","29","4120","4125","10.1039/D3CE00576C","","","0.71073","MoKα","","0.0834","0.045","","","0.1039","0.1278","","","","","","1.02","","","","has coordinates","286085","2023-09-05","19:34:57",""
"7246983","5.214","0.0002","23.4393","0.0008","25.016","0.0009","90","","90","","90","","3057.27","0.19","100.02","0.1","100.02","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","2,3,3',4'-tetramethoxy-trans-stilbene","(E)-1-(3,4-dimethoxystyryl)-2,3-dimethoxybenzene","","- C18 H20 O4 -","- C18 H20 O4 -","- C144 H160 O32 -","8","1","","Pajzderska, Aleksandra; Wierzchowski, Marcin; Łażewski, Dawid; Gielara-Korzańska, Agnieszka; Korzański, Artur; Popenda, Łukasz; Jenczyk, Jacek; Juranyi, Fanni; Embs, Jan P.; Wąsicki, Jan","Experimental and theoretical insights into the structure and molecular dynamics of 2,3,3',4'-tetramethoxy-<i>trans</i>-stilbene - a chemopreventive agent.","Physical chemistry chemical physics : PCCP","2023","25","27","18481","18494","10.1039/d3cp01747h","","x-ray","0.71073","MoKα","","0.0581","0.044","","","0.1121","0.125","","","","","","1.024","","","","has coordinates","285530","2023-08-05","09:36:01",""
"7246994","13.4433","0.0011","13.4433","0.0011","7.1126","0.0011","90","","90","","90","","1285.4","0.2","300","","300","","","","","","","","","5","P 4/m b m","-P 4 2ab","127","","","","- C8 H6 N4 Ni O2 -","- C8 H6 N4 Ni O2 -","- C32 H24 N16 Ni4 O8 -","4","0.25","","Huang, Hengcong; Gu, Yifan; Wang, Luyao; Jia, Tao; Kitagawa, Susumu; Li, Fengting","A scalable stable porous coordination polymer synthesized from low-cost precursors for efficient C2H2/C2H4 separation","Green Chemistry","2023","25","20","8040","8046","10.1039/D3GC01114C","","x-ray","1.34139","GaKα","","0.0446","0.0371","","","0.1027","0.1057","","","","","","1.107","","","","has coordinates,has disorder","287354","2023-11-06","07:43:28",""
"7246995","27.449","0.006","5.9185","0.0012","7.8408","0.0017","90","","90","","90","","1273.8","0.5","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","3BTHMB","3BTHMB","","- C15 H11 N O3 S -","- C15 H11 N O3 S -","- C60 H44 N4 O12 S4 -","4","1","","Bhattacharyya, Arghyadeep; Bhakta, Viki; Guchhait, Nikhil","Structural isomerism induces pH dependent AIE-coupled ESIPT: an in-depth spectroscopic exploration with application in amine vapor sensing.","Physical chemistry chemical physics : PCCP","2023","25","26","17482","17495","10.1039/d3cp01703f","","","0.71073","MoKα","","0.0405","0.0368","","","0.0882","0.0908","","","","","","1.006","","","","has coordinates","285016","2023-07-06","01:00:33",""
"7246996","8.07743","0.0001","8.07743","0.0001","23.4262","0.0003","90","","90","","120","","1323.67","0.03","293","2","293","2","","","","","","","no","4","P 3 1 c","P 3 -2c","159","iodate","Cesium Tantale Iodate","","- Cs3 I8 O24 Ta -","- Cs3 I8 O24 Ta -","- Cs6 I16 O48 Ta2 -","2","0.333333","","Belokoneva, Elena L.; Reutova, Olga V.; Dimitrova, Olga V.; Volkov, Anatoly S.; Stefanovich, Sergey Yu.; Maltsev, Victor V.; Vigasina, Marina F.","New layered nonlinear optical iodate Cs3Ta(IO3)8: topology-symmetry analysis and structure prediction","CrystEngComm","2023","25","30","4364","4369","10.1039/D3CE00461A","","","0.71073","MoKα","","0.0384","0.0361","","","0.0873","0.089","","","","","","1.133","","","","has coordinates","286115","2023-09-05","19:42:24",""
"7246997","9.5399","0.0011","8.8744","0.0011","10.5124","0.0014","90","","116.97","0.005","90","","793.2","0.17","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C3 H2 N6 O6 -","- C3 H2 N6 O6 -","- C12 H8 N24 O24 -","4","1","","Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui","Regulation of stability and density of energetic materials <i>via</i> isomerism.","Physical chemistry chemical physics : PCCP","2023","25","30","20168","20172","10.1039/d3cp02039h","","","0.71073","MoKα","","0.0408","0.0306","","","0.064","0.0672","","","","","","1.071","","","","has coordinates","285532","2023-08-05","09:36:35",""
"7246998","7.0555","0.0007","12.4013","0.0014","9.011","0.001","90","","102.052","0.003","90","","771.06","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C3 H2 N6 O6 -","- C3 H2 N6 O6 -","- C12 H8 N24 O24 -","4","1","","Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui","Regulation of stability and density of energetic materials <i>via</i> isomerism.","Physical chemistry chemical physics : PCCP","2023","25","30","20168","20172","10.1039/d3cp02039h","","","0.71073","MoKα","","0.0553","0.0406","","","0.094","0.1035","","","","","","1.043","","","","has coordinates,has disorder","285532","2023-08-05","09:36:36",""
"7246999","4.882","0.0005","10.0306","0.001","8.9963","0.0009","90","","95.203","0.004","90","","438.73","0.08","170","","170","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C3 H5 N7 O7 -","- C3 H5 N7 O7 -","- C6 H10 N14 O14 -","2","1","","Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui","Regulation of stability and density of energetic materials <i>via</i> isomerism.","Physical chemistry chemical physics : PCCP","2023","25","30","20168","20172","10.1039/d3cp02039h","","","0.71073","MoKα","","0.0607","0.0397","","","0.0794","0.0925","","","","","","1.101","","","","has coordinates","285532","2023-08-05","09:36:36",""
"7247000","6.4647","0.0007","15.866","0.002","10.027","0.0011","90","","96.745","0.004","90","","1021.3","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H7 N7 O8 -","- C3 H7 N7 O8 -","- C12 H28 N28 O32 -","4","1","","Zhang, Wenjin; Yang, Yiling; Shi, Shaoyi; Pang, Siping; Li, Yuchuan; Sun, Chenghui","Regulation of stability and density of energetic materials <i>via</i> isomerism.","Physical chemistry chemical physics : PCCP","2023","25","30","20168","20172","10.1039/d3cp02039h","","","0.71073","MoKα","","0.1062","0.0554","","","0.1102","0.1382","","","","","","1.008","","","","has coordinates","285532","2023-08-05","09:36:36",""
"7247001","8.7734","0.0003","10.412","0.0003","14.03","0.0005","90","","97.502","0.001","90","","1270.65","0.07","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","thiadiazol","'2,3-diphenyl-1,3,4-thiadiazol-3-ium-5-thiolate'","","- C14 H10 N2 S2 -","- C14 H10 N2 S2 -","- C56 H40 N8 S8 -","4","1","","Lima, Priscila S. V.; Weimer, Gustavo H.; Oliveira, Leonardo P.; Souza, Helivaldo D. S.; Fiss, Gabriela F.; Bonacorso, Helio G.; Martins, Marcos A. P.","Mesoionic compounds: the role of intermolecular interactions in their crystalline design","CrystEngComm","2023","25","35","4976","4991","10.1039/D3CE00554B","","x-ray","1.54178","CuKα","","0.0364","0.0339","","","0.0903","0.0922","","","","","","1.049","","","","has coordinates","286743","2023-10-06","00:07:38",""
"7247002","5.455","0.015","14.57","0.04","14.53","0.04","90","","96.13","0.04","90","","1148","5","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FLUCYTOSINE-GENTISIC ACID form I","FLUCYTOSINE-GENTISIC ACID form I","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C44 H40 F4 N12 O20 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Trimorphic forms of 5-fluorocytosine–gentisic acid with enhanced hydration stability","CrystEngComm","2023","25","29","4199","4212","10.1039/D3CE00450C","","","0.71073","MoKα","","0.1078","0.0732","","","0.1819","0.2095","","","","","","0.99","","","","has coordinates","286081","2023-09-05","19:32:22",""
"7247003","3.715","0.002","14.634","0.008","22.239","0.015","90","","92.71","0.02","90","","1207.7","1.2","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","FLUCYTOSINE-GENTISIC ACID form II","FLUCYTOSINE-GENTISIC ACID form II","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C44 H40 F4 N12 O20 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Trimorphic forms of 5-fluorocytosine–gentisic acid with enhanced hydration stability","CrystEngComm","2023","25","29","4199","4212","10.1039/D3CE00450C","","","0.71073","MoKα","","0.1158","0.0538","","","0.1027","0.1249","","","","","","1.017","","","","has coordinates","286081","2023-09-05","19:32:22",""
"7247004","10.3556","0.0004","8.6408","0.0003","14.1363","0.0006","90","","110.761","0.002","90","","1182.79","0.08","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","FLUCYTOSINE-GENTISATE form III","FLUCYTOSINE-GENTISATE form III","","- C11 H10 F N3 O5 -","- C11 H10 F N3 O5 -","- C44 H40 F4 N12 O20 -","4","1","","Kanagavel, Manimurugan; Nechipadappu, Sunil Kumar","Trimorphic forms of 5-fluorocytosine–gentisic acid with enhanced hydration stability","CrystEngComm","2023","25","29","4199","4212","10.1039/D3CE00450C","","","0.71073","MoKα","","0.0599","0.0438","","","0.1177","0.1316","","","","","","1.048","","","","has coordinates","286081","2023-09-05","19:32:22",""
"7247005","8.934","0.0004","11.4151","0.0005","13.698","0.0006","83.066","0.001","81.123","0.001","83.439","0.001","1363.6","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H20 Eu N3 O7 -","- C33 H20 Eu N3 O7 -","- C66 H40 Eu2 N6 O14 -","2","1","","Arteaga, Ana; Lulich, Alice; Nyman, May; Surbella, Robert G.","Designing scintillating coordination polymers using a dual-ligand synthetic approach","CrystEngComm","2023","25","32","4496","4502","10.1039/D3CE00358B","","x-ray","0.71073","MoKα","","0.0286","0.0254","","","0.0608","0.0626","","","","","","1.077","","","","has coordinates,has disorder","286103","2023-09-05","19:38:49",""
"7247006","11.2602","0.0007","12.0576","0.0007","12.2932","0.0007","78.341","0.003","78.639","0.003","63.154","0.003","1447.73","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H48 Eu2 N6 O14 -","- C66 H48 Eu2 N6 O14 -","- C66 H48 Eu2 N6 O14 -","1","0.5","","Arteaga, Ana; Lulich, Alice; Nyman, May; Surbella, Robert G.","Designing scintillating coordination polymers using a dual-ligand synthetic approach","CrystEngComm","2023","25","32","4496","4502","10.1039/D3CE00358B","","x-ray","0.71073","MoKα","","0.0719","0.0661","","","0.1753","0.1796","","","","","","1.147","","","","has coordinates","286103","2023-09-05","19:38:49",""
"7247007","9.7558","0.0001","18.2307","0.0001","18.7616","0.0001","90","","101.188","0.001","90","","3273.43","0.04","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H24 Eu N3 O8 -","- C39 H24 Eu N3 O8 -","- C156 H96 Eu4 N12 O32 -","4","1","","Arteaga, Ana; Lulich, Alice; Nyman, May; Surbella, Robert G.","Designing scintillating coordination polymers using a dual-ligand synthetic approach","CrystEngComm","2023","25","32","4496","4502","10.1039/D3CE00358B","","x-ray","1.54184","CuKα","","0.0312","0.0299","","","0.0779","0.079","","","","","","1.066","","","","has coordinates","286103","2023-09-05","19:38:49",""
"7247008","10.9554","0.0006","18.3762","0.001","19.9036","0.001","90","","100.718","0.001","90","","3937.1","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 Nd O8 -","- C30 H32 Au3 N10 Nd O8 -","- C120 H128 Au12 N40 Nd4 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.071","0.0364","","","0.0493","0.0562","","","","","","0.987","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247009","7.8419","0.0006","19.2528","0.0015","23.7526","0.0018","90","","91.512","0.001","90","","3584.9","0.5","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C52 H56 Au6 N20 O20 Sm Tb -","- C52 H56 Au5.998 N20 O20 Sm Tb -","- C104 H112 Au11.996 N40 O40 Sm2 Tb2 -","2","0.25","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0418","0.0313","","","0.0652","0.0682","","","","","","1.097","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247010","7.8552","0.0015","19.264","0.003","23.773","0.004","90","","91.419","0.007","90","","3596.3","1.1","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 N10 O10 Tb -","- C26 H28 Au3 N10 O10 Tb -","- C104 H112 Au12 N40 O40 Tb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0609","0.0387","","","0.0861","0.0947","","","","","","1.036","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247011","10.854","0.002","18.197","0.003","19.849","0.004","90","","99.778","0.003","90","","3863.4","1.2","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 Ce N10 O8 -","- C30 H32 Au3 Ce N10 O8 -","- C120 H128 Au12 Ce4 N40 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0352","0.0253","","","0.0496","0.0522","","","","","","1.017","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247012","7.8699","0.0007","19.2577","0.0014","23.7813","0.0017","90","","91.485","0.004","90","","3603","0.5","230","","230","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 N10 O10 Sm0.41 Tb0.59 -","- C26 H28 Au3 N10 O10 Sm0.403 Tb0.597 -","- C104 H112 Au12 N40 O40 Sm1.612 Tb2.388 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0312","0.0249","","","0.0543","0.0564","","","","","","1.037","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247013","7.958","0.0007","10.2731","0.001","23.067","0.002","89.082","0.004","85.457","0.004","70.612","0.002","1773.2","0.3","190","","190","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H26 Au3 N10 Nd O9 -","- C26 H26 Au3 N10 Nd O9 -","- C52 H52 Au6 N20 Nd2 O18 -","2","1","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0926","0.0633","","","0.1616","0.1775","","","","","","1.027","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247014","7.8884","0.0008","10.2453","0.001","23.058","0.002","89.15","0.002","85.419","0.002","70.588","0.002","1751.8","0.3","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C26 H26 Au3 N10 O9 Sm0.79 Tb0.22 -","- C26 H26 Au3.0002 N10 O9 Sm0.784 Tb0.216 -","- C52 H52 Au6.0004 N20 O18 Sm1.568 Tb0.432 -","2","1","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0504","0.0306","","","0.0434","0.0472","","","","","","1.015","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247015","10.9102","0.0009","18.2189","0.0015","19.7594","0.0018","90","","100.364","0.003","90","","3863.5","0.6","230","","230","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 O8 Sm -","- C30 H32 Au3 N10 O8 Sm -","- C120 H128 Au12 N40 O32 Sm4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0359","0.0258","","","0.0535","0.0563","","","","","","1.029","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247016","10.8731","0.0005","18.0339","0.0009","19.5988","0.0011","90","","99.557","0.002","90","","3789.7","0.3","150","2","150","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H64 Au6 N20 O16 Sm Tb -","- C60 H64 Au6 N20 O16 Sm Tb -","- C120 H128 Au12 N40 O32 Sm2 Tb2 -","2","0.25","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0201","0.0178","","","0.0366","0.0372","","","","","","1.096","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247017","10.8792","0.0006","17.9625","0.001","19.5519","0.0012","90","","99.575","0.002","90","","3767.6","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 Dy N10 O8 -","- C30 H32 Au3 Dy N10 O8 -","- C120 H128 Au12 Dy4 N40 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.032","0.0303","","","0.0785","0.0797","","","","","","1.086","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247018","7.8704","0.0017","19.268","0.005","23.801","0.006","90","","91.576","0.009","90","","3608","1.5","180","2","180","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 Eu N10 O10 -","- C26 H28 Au2.999 Eu N10 O10 -","- C104 H112 Au11.996 Eu4 N40 O40 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","x-ray","0.71073","MoKα","","0.0721","0.0347","","","0.0558","0.0628","","","","","","1.02","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247019","10.8939","0.0006","17.908","0.001","19.463","0.001","90","","99.59","0.001","90","","3743.9","0.4","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 O8 Yb -","- C30 H32 Au3 N10 O8 Yb -","- C120 H128 Au12 N40 O32 Yb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0245","0.0208","","","0.0452","0.0464","","","","","","1.079","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247020","7.7711","0.0013","19.156","0.003","23.765","0.004","90","","91.03","0.003","90","","3537.2","1","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H28 Au3 N10 O10 Yb -","- C26 H28 Au3.001 N10 O10 Yb -","- C104 H112 Au12.004 N40 O40 Yb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0302","0.0246","","","0.0515","0.0538","","","","","","1.068","","","","has coordinates,has disorder","286104","2023-09-05","19:39:41",""
"7247021","10.887","0.0007","18.0157","0.0013","19.5884","0.0014","90","","99.626","0.003","90","","3787.9","0.5","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 N10 O8 Tb -","- C30 H32 Au3 N10 O8 Tb -","- C120 H128 Au12 N40 O32 Tb4 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","x-ray","0.71073","MoKα","","0.0438","0.0362","","","0.1234","0.1307","","","","","","1.047","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247022","10.8683","0.0005","18.0285","0.0007","19.6168","0.001","90","","99.538","0.002","90","","3790.6","0.3","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H32 Au3 Eu N10 O8 -","- C30 H32 Au3 Eu N10 O8 -","- C120 H128 Au12 Eu4 N40 O32 -","4","0.5","","Brown, Matthew L.; Karpiuk, Thomas E.; Leznoff, Daniel B.","Emissive lanthanide dicyanoaurate coordination polymers with 2,2′-bipyridine dioxide antenna groups and their hydration states","CrystEngComm","2023","25","33","4658","4668","10.1039/D3CE00583F","","","0.71073","MoKα","","0.0328","0.0291","","","0.0686","0.07","","","","","","1.094","","","","has coordinates","286104","2023-09-05","19:39:41",""
"7247023","15.6071","0.0007","10.1092","0.0004","19.5816","0.0008","90","","110.641","0.005","90","","2891.2","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N2 O2 S -","- C34 H30 N2 O2 S -","- C136 H120 N8 O8 S4 -","4","1","","Kumar, Krishan; Karmakar, Anirban; Chen, Feng-Rong; Jou, Jwo-Huei; Ghosh, Subrata; Banik, Subrata; Kumar, Sunil","Rationally heteroarylated pyridines as hole transport materials for OLEDs.","Physical chemistry chemical physics : PCCP","2023","25","29","19648","19659","10.1039/d3cp01726e","","","1.54184","CuKα","","0.0643","0.0507","","","0.137","0.153","","","","","","1.022","","","","has coordinates","285528","2023-08-05","09:35:41",""
"7247024","17.7843","0.0002","34.8725","0.0004","7.54963","0.00009","90","","90","","90","","4682.15","0.09","293","2","293","2","","","","","","","","4","A e a 2","A 2 -2ab","41","","","","- C28 H23 N5 O -","- C28 H23 N5 O -","- C224 H184 N40 O8 -","8","1","","Sun, Xuancheng; Li, Chaoxiong; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","A highly thermal and pH-stable fluorescence sensor for rapid detection of Hg2+, Fe3+, and tetracycline in aqueous solutions","CrystEngComm","2023","25","32","4531","4538","10.1039/D3CE00571B","","x-ray","1.54184","CuKα","","0.0414","0.0405","","","0.1137","0.1154","","","","","","1.049","","","","has coordinates","286099","2023-09-05","19:37:45",""
"7247025","20.8701","0.0007","20.0485","0.0007","15.1301","0.0005","90","","114.052","0.001","90","","5781","0.3","100","","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H24 Cd N6 O4 -","- C35 H24 Cd N6 O4 -","- C280 H192 Cd8 N48 O32 -","8","1","","Sun, Xuancheng; Li, Chaoxiong; Meng, Xianggao; Wang, Dunjia; Zheng, Chunyang","A highly thermal and pH-stable fluorescence sensor for rapid detection of Hg2+, Fe3+, and tetracycline in aqueous solutions","CrystEngComm","2023","25","32","4531","4538","10.1039/D3CE00571B","","x-ray","1.34139","Synchrotron","GaKα","0.0392","0.0292","","","0.0754","0.079","","","","","","1.078","","","","has coordinates,has disorder","286099","2023-09-05","19:37:46",""
"7247026","3.9472","0.0002","3.9472","0.0002","15.2401","0.0001","90","","90","","90","","237.447","0.017","","","30","","","","","","","","","3","I 4/m m m","-I 4 2","139","Cesium iron selenide (0.82/1.62/2)","","","- Cs0.82 Fe1.62 Se2 -","- Cs0.82 Fe1.62 Se2 -","- Cs1.64 Fe3.24 Se4 -","2","0.0625","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","","","","","","","","","","","","","","","","","","","","has coordinates","286107","2023-09-05","19:40:38",""
"7247027","12.575","0.001","26.24","0.002","14.684","0.001","90","","102.485","0.01","90","","4730.7","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C52 H52 Fe N9 O4 Sn -","- C52 H52 Fe N9 O4 Sn -","- C208 H208 Fe4 N36 O16 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","","0.895","synchrotron","","0.0548","0.0411","","","0.1043","0.1135","","","","","","1.035","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247028","16.45","0.001","27.473","0.003","18.743","0.002","90","","104.441","0.01","90","","8202.9","1.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C95 H53 Cl8 Mo N16 O2 Sn2 -","- C95 H53 Cl8 Mo N16 O2 Sn2 -","- C380 H212 Cl32 Mo4 N64 O8 Sn8 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","","0.895","synchrotron","","0.2431","0.1281","","","0.3251","0.3704","","","","","","1.193","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247029","12.9659","0.0004","18.5545","0.0003","14.3959","0.0003","90","","104.36","0.002","90","","3355.1","0.14","120","1","120","1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C70 H72 Cl5 Ir N10 Na O6 Sn -","- C70 H72 Cl5 Ir N10 Na O6 Sn -","- C140 H144 Cl10 Ir2 N20 Na2 O12 Sn2 -","2","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0281","0.0259","","","0.0578","0.0587","","","","","","1.035","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247030","12.1076","0.0003","12.5476","0.0003","13.9976","0.0003","99.14","0.002","103.14","0.002","109.704","0.002","1884.19","0.09","130","1","130","1","","","","","","","","7","P -1","-P 1","2","","","","- C46 H25 Cl2 N8 O3 Sn V -","- C45.9994 H24.9996 Cl1.9998 N8 O3 Sn V -","- C91.9988 H49.9992 Cl3.9996 N16 O6 Sn2 V2 -","2","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0203","0.0184","","","0.0482","0.0492","","","","","","1.059","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247031","36.653","0.003","21.7587","0.0018","28.04","0.003","90","","120.978","0.002","90","","19173","3","120","1","120","1","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C101.5 H83 Cl5.5 N18 Na O6 Ru Sn2 -","- C101.5 H83 Cl5.5 N18 Na O6 Ru Sn2 -","- C812 H664 Cl44 N144 Na8 O48 Ru8 Sn16 -","8","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.1728","0.1131","","","0.2292","0.2625","","","","","","1.149","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247032","14.8478","0.0002","12.6529","0.0001","23.7022","0.0002","90","","91.224","0.001","90","","4451.86","0.08","130","2","130","1","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C48 H35 Cl2 I2 Ir N8 Sn -","- C48 H35 Cl2 I2 Ir N8 Sn -","- C192 H140 Cl8 I8 Ir4 N32 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0229","0.0219","","","0.0534","0.0537","","","","","","1.118","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247033","12.8043","0.0008","11.4261","0.0007","25.2186","0.0017","90","","103.808","0.006","90","","3582.9","0.4","100","0.8","100","0.8","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H31 Cl2 Ir N8 Sn -","- C42 H31 Cl2 Ir N8 Sn -","- C168 H124 Cl8 Ir4 N32 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.1271","0.0724","","","0.1171","0.1364","","","","","","1.054","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247034","12.197","0.0003","12.7088","0.0003","13.9744","0.0003","99.379","0.002","104.646","0.002","109.904","0.002","1895.3","0.09","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C45 H25 Cl3 Mo N8 O2 Sn -","- C45 H25 Cl3 Mo N8 O2 Sn -","- C90 H50 Cl6 Mo2 N16 O4 Sn2 -","2","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0349","0.0304","","","0.0744","0.077","","","","","","1.037","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247035","22.3297","0.0005","12.2594","0.0003","26.799","0.0008","90","","110.193","0.003","90","","6885.3","0.3","150","1","150","1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C74 H69 Cl4 Co I2 Ir N8 Sn -","- C74 H69 Cl4 Co I2 Ir N8 Sn -","- C296 H276 Cl16 Co4 I8 Ir4 N32 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0947","0.0804","","","0.2076","0.2176","","","","","","1.114","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247036","16.1813","0.0018","14.7119","0.0008","37.959","0.002","109.856","0.005","98.694","0.007","95.271","0.007","8301.3","1.2","100","2","100","2","","","","","","","no","8","P -1","-P 1","2","","Decamethylchromosenium salt of tin(II) naphthalocyanine coordinated Ir4(CO)11 cluster, dichlorobenzene solvate","","- C91 H62 Cl4 Cr Ir4 N8 O11 Sn -","- C91 H62 Cl4 Cr Ir4 N8 O11 Sn -","- C364 H248 Cl16 Cr4 Ir16 N32 O44 Sn4 -","4","2","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.2689","0.1638","","","0.3552","0.3897","","","","","","0.991","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247037","16.9638","0.0003","19.8243","0.0003","19.9815","0.0003","90","","96.196","0.001","90","","6680.43","0.19","100","1","100","1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C69 H50 Cl2 Cr Ir4 N8 O11 Sn -","- C69 H50 Cl2 Cr Ir4 N8 O11 Sn -","- C276 H200 Cl8 Cr4 Ir16 N32 O44 Sn4 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.0428","0.0295","","","0.0535","0.0569","","","","","","1.042","","","","has coordinates","286107","2023-09-05","19:40:39",""
"7247038","22.7101","0.0006","14.5414","0.0008","39.6766","0.0016","90","","90","","90","","13102.7","1","150","2","150","2","","","","","","","","8","P c a 21","P 2c -2ac","29","","","","- C132 H120 Cl8 Fe2 K2 N20 O20 Sn2 -","- C132 H120 Cl8 Fe2 K2 N20 O20 Sn2 -","- C528 H480 Cl32 Fe8 K8 N80 O80 Sn8 -","4","1","","Faraonov, Maxim A.; Yudanova, Evgeniya I.; Kuzmin, Alexey V.; Khasanov, Salavat S.; Troyanov, Sergey I.; Otsuka, Akihiro; Yamochi, Hideki; Kitagawa, Hiroshi; Konarev, Dmitri V.","Synthesis, structure and properties of coordination complexes of tin(ii) phthalocyanine and naphthalocyanine with transition metal fragments","CrystEngComm","2023","25","33","4620","4637","10.1039/D3CE00564J","","x-ray","0.71073","MoKα","","0.1381","0.0773","","","0.1367","0.1596","","","","","","1.063","","","","has coordinates,has disorder","286107","2023-09-05","19:40:39",""
"7247046","7.703","0.007","9.477","0.009","10.206","0.01","112.963","0.012","102.917","0.013","95.919","0.013","653.4","1.1","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H24 Co N10 O4 S2 -","- C20 H24 Co N10 O4 S2 -","- C20 H24 Co N10 O4 S2 -","1","0.5","","Wang, Sen; Xie, Fengxia; Zhang, Shiwen; Liang, Xiaoqiang; Gao, Qianhang; Chen, Yu; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","Water-assisted proton conduction regulated by hydrophilic groups in metallo-hydrogen-bonded organic frameworks: “like-attracts-like” between hydrophilic groups and water molecules","CrystEngComm","2023","25","33","4701","4715","10.1039/D3CE00438D","","","0.71073","MoKα","","0.0343","0.032","","","0.0944","0.0977","","","","","","0.978","","","","has coordinates","286108","2023-09-05","19:40:47",""
"7247047","7.8166","0.0016","11.069","0.002","11.929","0.002","72.386","0.003","78.707","0.003","80.019","0.003","957.5","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H32 Co N18 S2 -","- C38 H32 Co N18 S2 -","- C38 H32 Co N18 S2 -","1","0.5","","Wang, Sen; Xie, Fengxia; Zhang, Shiwen; Liang, Xiaoqiang; Gao, Qianhang; Chen, Yu; Zhang, Feng; Wen, Chen; Feng, Lei; Wan, Chengan","Water-assisted proton conduction regulated by hydrophilic groups in metallo-hydrogen-bonded organic frameworks: “like-attracts-like” between hydrophilic groups and water molecules","CrystEngComm","2023","25","33","4701","4715","10.1039/D3CE00438D","","","0.71073","MoKα","","0.0395","0.0346","","","0.1016","0.1047","","","","","","1.028","","","","has coordinates","286108","2023-09-05","19:40:47",""
"7247048","8.5226","0.0003","10.0347","0.0004","12.5476","0.0005","77.009","0.002","81.678","0.002","86.51","0.002","1034.17","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N3 O3 -","- C25 H23 N3 O3 -","- C50 H46 N6 O6 -","2","1","","Gogoi, Gayatri; Sarma, Rupam J.","Effect of twisted molecular geometry on the solid-state emissions of an anthracene fluorophore","CrystEngComm","2023","25","32","4582","4591","10.1039/D3CE00481C","","","0.71073","MoKα","","0.0709","0.0508","","","0.1417","0.158","","","","","","1.039","","","","has coordinates","286102","2023-09-05","19:38:26",""
"7247049","12.5066","0.0004","14.8096","0.0005","18.3306","0.0007","90","","90","","90","","3395.2","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C22 H18 N2 O3 -","- C22 H18 N2 O3 -","- C176 H144 N16 O24 -","8","1","","Gogoi, Gayatri; Sarma, Rupam J.","Effect of twisted molecular geometry on the solid-state emissions of an anthracene fluorophore","CrystEngComm","2023","25","32","4582","4591","10.1039/D3CE00481C","","","0.71073","MoKα","","0.0678","0.0466","","","0.1152","0.1278","","","","","","1.063","","","","has coordinates","286102","2023-09-05","19:38:26",""
"7247050","11.3394","0.0008","11.345","0.0008","14.9825","0.001","77.424","0.005","86.116","0.004","67.045","0.004","1731.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C88 H64 N8 O8 -","4","2","","Gogoi, Gayatri; Sarma, Rupam J.","Effect of twisted molecular geometry on the solid-state emissions of an anthracene fluorophore","CrystEngComm","2023","25","32","4582","4591","10.1039/D3CE00481C","","","0.71073","MoKα","","0.1413","0.0723","","","0.1724","0.2116","","","","","","1.061","","","","has coordinates","292638","2024-06-28","09:33:37",""
"7247051","7.9976","0.0005","8.4028","0.0005","12.3149","0.0008","75.304","0.003","71.879","0.003","81.037","0.003","758.14","0.08","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C14 H15 F3 N2 O3 S -","- C14 H15 F3 N2 O3 S -","- C28 H30 F6 N4 O6 S2 -","2","1","","Lohar, Vishal A.; Menon, Anila M.; Suresh, Ajay; Chopra, Deepak","Role of mechanochemical synthesis in the crystal chemistry of leflunomide","CrystEngComm","2023","25","34","4779","4792","10.1039/D3CE00373F","","","0.71073","MoKα","","0.0378","0.0338","","","0.0977","0.1002","","","","","","1.055","","","","has coordinates","286122","2023-09-05","19:44:01",""
"7247052","10.8564","0.0014","7.7062","0.0009","38.699","0.005","90","","90","","90","","3237.6","0.7","100","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H19 F3 N4 O2 -","- C16 H19 F3 N4 O2 -","- C128 H152 F24 N32 O16 -","8","1","","Lohar, Vishal A.; Menon, Anila M.; Suresh, Ajay; Chopra, Deepak","Role of mechanochemical synthesis in the crystal chemistry of leflunomide","CrystEngComm","2023","25","34","4779","4792","10.1039/D3CE00373F","","","0.71073","MoKα","","0.19","0.0959","","","0.2089","0.2374","","","","","","1.036","","","","has coordinates,has disorder","286122","2023-09-05","19:44:02",""
"7247053","14.6222","0.0016","5.5787","0.0006","14.6298","0.0016","90","","144.34","0.01","90","","695.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N4 O4 -","- C4 H6 N4 O4 -","- C16 H24 N16 O16 -","4","1","","Gaur, Ruchi","Polymorphism in parabanic acid-urea cocrystals governed by supramolecular synthons: a comparative analysis","CrystEngComm","2023","25","33","4680","4689","10.1039/D3CE00258F","","","0.71073","MoKα","","0.0336","0.0315","","","0.0782","0.0794","","","","","","1.091","","","","has coordinates","286110","2023-09-05","19:41:07",""
"7247054","6.78","0.002","10.046","0.003","10.579","0.003","90","","104.986","0.007","90","","696","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C4 H6 N4 O4 -","- C4 H6 N4 O4 -","- C16 H24 N16 O16 -","4","1","","Gaur, Ruchi","Polymorphism in parabanic acid-urea cocrystals governed by supramolecular synthons: a comparative analysis","CrystEngComm","2023","25","33","4680","4689","10.1039/D3CE00258F","","","0.71073","MoKα","","0.0575","0.0482","","","0.1064","0.1109","","","","","","1.215","","","","has coordinates","286110","2023-09-05","19:41:08",""
"7247055","7.2373","0.0005","11.5245","0.0008","12.2725","0.0008","70.605","0.002","84.799","0.002","76.466","0.002","938.61","0.11","140","","140","","","","","","","","","5","P -1","-P 1","2","Bis(Ciprofloxacin) oxalic acid oxalate dihydrate","","","- C19 H22 F N3 O8 -","- C19 H22 F N3 O8 -","- C38 H44 F2 N6 O16 -","2","1","","Rapeenun, Peerapon; Nalaoh, Phattananawee; Promarak, Vinich; Flood, Adrian E.","Improving aqueous solubility of ciprofloxacin: three different stoichiometric hydrated salt forms with oxalic acid","CrystEngComm","2023","25","31","4461","4469","10.1039/D3CE00514C","","x-ray","0.71073","MoKα","","0.0366","0.0334","","","0.0906","0.0929","","","","","","1.025","","","","has coordinates","286117","2023-09-05","19:42:47",""
"7247056","7.1349","0.0008","11.9568","0.0014","12.32","0.0013","77.766","0.004","89.132","0.004","82.126","0.004","1017.4","0.2","100","","100","","","","","","","","","5","P -1","-P 1","2","Bis(Ciprofloxacin) oxalic acid dioxalate dihydrate","","","- C20 H23 F N3 O10 -","- C20 H23 F N3 O10 -","- C40 H46 F2 N6 O20 -","2","1","","Rapeenun, Peerapon; Nalaoh, Phattananawee; Promarak, Vinich; Flood, Adrian E.","Improving aqueous solubility of ciprofloxacin: three different stoichiometric hydrated salt forms with oxalic acid","CrystEngComm","2023","25","31","4461","4469","10.1039/D3CE00514C","","x-ray","0.71073","MoKα","","0.0475","0.0353","","","0.0864","0.0916","","","","","","1.03","","","","has coordinates","286117","2023-09-05","19:42:48",""
"7247057","13.7549","0.0018","13.9237","0.0019","30.361","0.004","90.753","0.005","93.648","0.004","94.741","0.005","5782.1","1.3","100","","100","","","","","","","","","5","P -1","-P 1","2","Hexa-Ciprofloxacin tri-oxalate dihydrate","","","- C108 H118 F6 N18 O32 -","- C108 H118 F6 N18 O32 -","- C216 H236 F12 N36 O64 -","2","1","","Rapeenun, Peerapon; Nalaoh, Phattananawee; Promarak, Vinich; Flood, Adrian E.","Improving aqueous solubility of ciprofloxacin: three different stoichiometric hydrated salt forms with oxalic acid","CrystEngComm","2023","25","31","4461","4469","10.1039/D3CE00514C","","x-ray","0.71073","MoKα","","0.0577","0.0405","","","0.1023","0.1092","","","","","","1.04","","","","has coordinates,has disorder","286117","2023-09-05","19:42:48",""
"7247058","19.785","0.004","18.079","0.004","16.343","0.003","90","","115.629","0.007","90","","5270.6","1.9","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C54 H54 F12 N6 O4 -","- C54 H54 F12 N6 O4 -","- C216 H216 F48 N24 O16 -","4","0.5","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1441","0.0887","","","0.2464","0.2799","","","","","","1.064","","","","has coordinates,has disorder","287334","2023-11-06","07:22:45",""
"7247059","10.8811","0.0017","11.1873","0.0017","16.516","0.002","70.972","0.006","71.325","0.006","85.357","0.007","1800","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C76 H96 N8 O12 -","- C76 H96 N8 O12 -","- C76 H96 N8 O12 -","1","0.5","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1637","0.0857","","","0.2495","0.2907","","","","","","1.088","","","","has coordinates","287334","2023-11-06","07:22:59",""
"7247060","15.7903","0.0011","16.4942","0.001","19.737","0.0014","90","","110.881","0.003","90","","4802.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H56 F6 N6 O4 -","- C52 H56 F6 N6 O4 -","- C208 H224 F24 N24 O16 -","4","1","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1086","0.0609","","","0.1453","0.1672","","","","","","1.055","","","","has coordinates,has disorder","287334","2023-11-06","07:23:08",""
"7247061","10.352","0.002","18.345","0.004","20.704","0.005","90","","93.095","0.009","90","","3926.1","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H46 F6 N4 O6 -","- C40 H46 F6 N4 O6 -","- C160 H184 F24 N16 O24 -","4","1","","Saied, Rajaa; Alves, Paula C.; Rijo, Patrícia; André, Vânia; Alves, Luis G.","Novel cyclam multicomponent crystal forms: synthesis, characterization and antimicrobial activity","CrystEngComm","2023","25","41","5787","5795","10.1039/D3CE00354J","","","0.71073","MoKα","","0.1031","0.0605","","","0.1438","0.1606","","","","","","1.055","","","","has coordinates,has disorder","287334","2023-11-06","07:23:25",""
"7247070","9.8457","0.0019","10.6763","0.0019","14.355","0.003","90","","115.832","0.006","90","","1358.2","0.5","293","","293","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","[Co2L2Cl2]","","- C24 H26 Br2 Cl2 Co2 N4 O2 -","- C24 H26 Br2 Cl2 Co2 N4 O2 -","- C48 H52 Br4 Cl4 Co4 N8 O4 -","2","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.1792","0.105","","","0.2502","0.2855","","","","","","1.0793","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247071","7.3125","0.0004","9.9783","0.0006","11.6624","0.0007","71.043","0.002","80.28","0.002","77.336","0.002","780.82","0.08","293","","293","","","","","","","","","6","P -1","-P 1","2","","[Co2L1(acac)2]?2MeCN","","- C28 H36 Cl2 Co2 N6 O2 -","- C28 H36 Cl2 Co2 N6 O2 -","- C28 H36 Cl2 Co2 N6 O2 -","1","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.0484","0.0404","","","0.0846","0.0915","","","","","","1.171","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247072","18.0168","0.001","22.4384","0.0013","9.4282","0.0006","90","","96.955","0.002","90","","3783.5","0.4","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","[Co2L2(acac)2]2","","- C68 H84 Br4 Co4 N8 O12 -","- C68 H84 Br4 Co4 N8 O12 -","- C136 H168 Br8 Co8 N16 O24 -","2","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.1564","0.065","","","0.1048","0.1305","","","","","","1.023","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247073","9.9504","0.0007","10.6442","0.0008","11.3733","0.0008","96.093","0.003","114.41","0.002","108.736","0.002","998.14","0.13","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","[Co2L1(acac)2]?2MeCN","","- C38 H50 Co2 N6 O6 -","- C38 H50 Co2 N6 O6 -","- C38 H50 Co2 N6 O6 -","1","0.5","","Luo, Tong-Kai; Zhong, Xiang; Zhang, Qing-Yun; Chen, Xiao-Feng; Xu, Hui; Peng, Yan; Liu, Sui-Jun; Hu, Zhao-Bo; Wen, He-Rui","Effect of remote substituents and coordination anions on the magnetic properties of Co(ii) dimer complexes","CrystEngComm","2023","25","34","4873","4878","10.1039/D3CE00523B","","","0.71073","MoKα","","0.0509","0.0389","","","0.071","0.0746","","","","","","1.0431","","","","has coordinates","286120","2023-09-05","19:43:40",""
"7247074","16.316","0.0012","5.3605","0.0004","17.8044","0.0015","90","","102.726","0.003","90","","1519","0.2","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O3 S -","- C16 H17 N3 O3 S -","- C64 H68 N12 O12 S4 -","4","1","","Pal, Nilay Kumar; Singh, Kuldeep; Patra, Moumita; Yadav, Suman; Pandey, Prabhakar K.; Bera, Jitendra K.","Ni(ii)-catalyzed oxidative deamination of benzyl amines with water","Green Chemistry","2023","25","16","6212","6217","10.1039/D3GC00672G","","","0.71073","MoKα","","0.0687","0.041","","","0.0868","0.102","","","","","","1.069","","","","has coordinates","286141","2023-09-05","19:57:20",""
"7247075","10.662","0.0004","22.8698","0.0009","14.5817","0.0005","90","","95.618","0.001","90","","3538.5","0.2","273","2","273.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H20 N3 Ni O4 S -","- C17 H20 N3 Ni0.5 O4 S -","- C136 H160 N24 Ni4 O32 S8 -","8","1","","Pal, Nilay Kumar; Singh, Kuldeep; Patra, Moumita; Yadav, Suman; Pandey, Prabhakar K.; Bera, Jitendra K.","Ni(ii)-catalyzed oxidative deamination of benzyl amines with water","Green Chemistry","2023","25","16","6212","6217","10.1039/D3GC00672G","","","0.71073","MoKα","","0.0374","0.0318","","","0.0871","0.0914","","","","","","1.068","","","","has coordinates","286141","2023-09-05","19:57:20",""
"7247076","10.0731","0.0002","20.1087","0.0005","10.8313","0.0003","90","","105.39","0.001","90","","2115.28","0.09","273","2","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br Cl2 N3 Ni -","- C21 H20 Br Cl2 N3 Ni -","- C84 H80 Br4 Cl8 N12 Ni4 -","4","1","","Pal, Nilay Kumar; Singh, Kuldeep; Patra, Moumita; Yadav, Suman; Pandey, Prabhakar K.; Bera, Jitendra K.","Ni(ii)-catalyzed oxidative deamination of benzyl amines with water","Green Chemistry","2023","25","16","6212","6217","10.1039/D3GC00672G","","","0.71073","MoKα","","0.0558","0.036","","","0.0719","0.0832","","","","","","1.044","","","","has coordinates,has disorder","286141","2023-09-05","19:57:20",""
"7247077","13.746","0.003","16.148","0.004","16.995","0.004","65.764","0.007","69.468","0.006","74.898","0.005","3191.2","1.3","273","2","273.15","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H28 Br2 Cl2 N6 Ni -","- C31 H28 Br2 Cl2 N6 Ni -","- C124 H112 Br8 Cl8 N24 Ni4 -","4","2","","Pal, Nilay Kumar; Singh, Kuldeep; Patra, Moumita; Yadav, Suman; Pandey, Prabhakar K.; Bera, Jitendra K.","Ni(ii)-catalyzed oxidative deamination of benzyl amines with water","Green Chemistry","2023","25","16","6212","6217","10.1039/D3GC00672G","","","0.71073","MoKα","","0.1094","0.0655","","","0.1726","0.2051","","","","","","1.034","","","","has coordinates,has disorder","286141","2023-09-05","19:57:20",""
"7247089","14.928","0.004","18.059","0.004","20.972","0.005","84.908","0.006","76.202","0.006","78.679","0.006","5379","2","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C120 H120 Au4 Cl6 N8 O8 -","- C120 H120 Au4 Cl6 N8 O8 -","- C240 H240 Au8 Cl12 N16 O16 -","2","1","","Bardina, Elena E.; Makotchenko, Eugeniya V.; Birin, Kirill P.; Baidina, Iraida A.; Sukhikh, Taisiya S.; Novikov, Alexander S.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Gushchin, Artem L.","Noncovalent interactions in gold(iii) tetrakis(4-butoxyphenyl)porphyrinate structures","CrystEngComm","2023","25","33","4755","4767","10.1039/D3CE00428G","","","0.71073","MoKα","","0.176","0.101","","","0.2822","0.3543","","","","","","1.155","","","","has coordinates,has disorder","286109","2023-09-05","19:40:59",""
"7247090","16.7951","0.0017","17.6474","0.0017","19.8427","0.0018","77.941","0.003","82.828","0.003","75.258","0.003","5546.1","0.9","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H60 Au2 Cl4 N4 O4 -","- C60 H60 Au2 Cl4 N4 O4 -","- C240 H240 Au8 Cl16 N16 O16 -","4","2","","Bardina, Elena E.; Makotchenko, Eugeniya V.; Birin, Kirill P.; Baidina, Iraida A.; Sukhikh, Taisiya S.; Novikov, Alexander S.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Gushchin, Artem L.","Noncovalent interactions in gold(iii) tetrakis(4-butoxyphenyl)porphyrinate structures","CrystEngComm","2023","25","33","4755","4767","10.1039/D3CE00428G","","","0.71073","MoKα","","0.0609","0.0368","","","0.0784","0.0849","","","","","","1.013","","","","has coordinates,has disorder","286109","2023-09-05","19:41:00",""
"7247091","14.437","0.0007","18.6296","0.0009","22.2485","0.0011","82.428","0.002","79.383","0.002","77.623","0.002","5718.1","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C124 H128 Au4 Cl6 N8 O12 -","- C124 H126 Au4 Cl6 N8 O12 -","- C248 H252 Au8 Cl12 N16 O24 -","2","1","","Bardina, Elena E.; Makotchenko, Eugeniya V.; Birin, Kirill P.; Baidina, Iraida A.; Sukhikh, Taisiya S.; Novikov, Alexander S.; Gorbunova, Yulia G.; Tsivadze, Aslan Yu.; Gushchin, Artem L.","Noncovalent interactions in gold(iii) tetrakis(4-butoxyphenyl)porphyrinate structures","CrystEngComm","2023","25","33","4755","4767","10.1039/D3CE00428G","","","0.71073","MoKα","","0.0708","0.04","","","0.0911","0.1006","","","","","","1.085","","","","has coordinates,has disorder","286109","2023-09-05","19:41:00",""
"7247092","6.1385","0.0004","11.76","0.0008","17.0258","0.0011","104.208","0.006","96.087","0.005","103.597","0.006","1140.46","0.14","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C28 H21 F2 O2 P -","- C28 H21 F2 O2 P -","- C56 H42 F4 O4 P2 -","2","1","","Chu, Xue-Qiang; Sun, Li-Wen; Ma, Cheng; Chen, Jia-Wei; Chen, Yu-Lan; Ni, Shao-Fei; Zhu, Ming-Quan; Zhou, Jie; Ma, Mengtao; Shen, Zhi-Liang","“On-water” defluorophosphorylation of trifluoromethylated enones with phosphine oxides","Green Chemistry","2023","25","16","6489","6497","10.1039/D3GC01565C","","x-ray","0.71073","MoKα","","0.0559","0.0428","","","0.0947","0.1041","","","","","","1.047","","","","has coordinates","286142","2023-09-05","19:57:28",""
"7247093","13.606","0.0003","16.1758","0.0004","14.0833","0.0003","90","","98.198","0.002","90","","3067.89","0.12","149.99","0.1","149.99","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H26 F2 N3 O4 P -","- C36 H26 F2 N3 O4 P -","- C144 H104 F8 N12 O16 P4 -","4","1","","Chu, Xue-Qiang; Sun, Li-Wen; Ma, Cheng; Chen, Jia-Wei; Chen, Yu-Lan; Ni, Shao-Fei; Zhu, Ming-Quan; Zhou, Jie; Ma, Mengtao; Shen, Zhi-Liang","“On-water” defluorophosphorylation of trifluoromethylated enones with phosphine oxides","Green Chemistry","2023","25","16","6489","6497","10.1039/D3GC01565C","","x-ray","1.54184","CuKα","","0.0475","0.0417","","","0.1071","0.1131","","","","","","1.025","","","","has coordinates","286142","2023-09-05","19:57:29",""
"7247094","11.5388","0.0005","15.217","0.0007","31.3898","0.0014","88.955","0.002","88.529","0.002","76.813","0.003","5364.1","0.4","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H39 B2 N3 O4 -","- C27 H39 B2 N3 O4 -","- C216 H312 B16 N24 O32 -","8","4","","Tao, Sheng; Wang, Yang; Pan, Qianxiu; Zhao, Jixing; Bu, Qingqing; Chen, Fei; Liu, Jichang; Dai, Bin; Wei, Donghui; Liu, Ning","Aqueous hydroboration of alkynes via nonclassical generation of N-heterocyclic carbenes","Green Chemistry","2023","25","17","6704","6716","10.1039/D3GC01232H","","","1.54178","CuKα","","0.1375","0.0966","","","0.2478","0.2946","","","","","","1.101","","","","has coordinates,has disorder","286137","2023-09-05","19:56:33",""
"7247095","19.9852","0.0004","7.5581","0.0001","20.2911","0.0004","90","","90","","90","","3064.97","0.1","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H15 N3 O -","- C20 H15 N3 O -","- C160 H120 N24 O8 -","8","1","","Titenkova, Kseniia; Shuvaev, Alexander D.; Teslenko, Fedor E.; Zhilin, Egor S.; Fershtat, Leonid L.","Empowering strategies of electrochemical N–N bond forming reactions: direct access to previously neglected 1,2,3-triazole 1-oxides","Green Chemistry","2023","25","17","6686","6693","10.1039/D3GC01601C","","","0.71073","MoKα","","0.0687","0.0497","","","0.1196","0.1353","","","","","","1.026","","","","has coordinates,has disorder","286139","2023-09-05","19:56:49",""
"7247096","5.2481","0.0012","14.898","0.003","15.184","0.004","90","","90","","90","","1187.2","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C7 H6 N8 O6 -","- C7 H6 N8 O6 -","- C28 H24 N32 O24 -","4","1","","Su, Dongshuai; Cai, Jinxiong; Yin, Ping; Pang, Siping","Regioisomeric N–C functionalization of an asymmetric N-rich framework: a promising pathway to heat-resistant energetic materials","CrystEngComm","2023","25","34","4902","4906","10.1039/D3CE00647F","","","0.71073","MoKα","","0.0466","0.0378","","","0.1142","0.1298","","","","","","0.935","","","","has coordinates","286127","2023-09-05","19:44:42",""
"7247097","8.638","0.01","17.1","0.02","8.705","0.01","90","","111.112","0.014","90","","1200","2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H6 N8 O6 -","- C7 H6 N8 O6 -","- C28 H24 N32 O24 -","4","1","","Su, Dongshuai; Cai, Jinxiong; Yin, Ping; Pang, Siping","Regioisomeric N–C functionalization of an asymmetric N-rich framework: a promising pathway to heat-resistant energetic materials","CrystEngComm","2023","25","34","4902","4906","10.1039/D3CE00647F","","","0.71073","MoKα","","0.164","0.0807","","","0.1976","0.2414","","","","","","1.008","","","","has coordinates","286127","2023-09-05","19:44:42",""
"7247104","8.2694","0.0006","8.7155","0.0007","26.765","0.002","87.121","0.006","85.505","0.006","80.356","0.007","1894.5","0.3","298","","298","","","","","","","","","4","P -1","-P 1","2","","CTC-1OH","","- C40 H39 N2 O18.5 -","- C40 H39 N2 O18.5 -","- C80 H78 N4 O37 -","2","1","","Pan, Jia-Qi; Chen, Yun-Rui; Jia, Meng-Ze; Yao, Xin-Rong; Miao, Xiao-Li; Zhang, Jie","The cooperation of charge transfer and electron transfer for manipulating photothermal behaviour of donor–acceptor co-crystals","CrystEngComm","2023","25","35","4968","4975","10.1039/D3CE00581J","","","0.71073","MoKα","","0.0952","0.0551","","","0.1372","0.1637","","","","","","1.037","","","","has coordinates","286741","2023-10-06","00:06:20",""
"7247105","4.7835","0.0005","43.651","0.005","11.3771","0.0011","90","","90","","90","","2375.6","0.4","293","2","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O9 -","- C28 H24 N2 O9 -","- C112 H96 N8 O36 -","4","1","","Pan, Jia-Qi; Chen, Yun-Rui; Jia, Meng-Ze; Yao, Xin-Rong; Miao, Xiao-Li; Zhang, Jie","The cooperation of charge transfer and electron transfer for manipulating photothermal behaviour of donor–acceptor co-crystals","CrystEngComm","2023","25","35","4968","4975","10.1039/D3CE00581J","","","0.71073","MoKα","","0.1739","0.1661","","","0.451","0.469","","","","","","1.135","","","","has coordinates,has disorder","286741","2023-10-06","00:06:20",""
"7247106","5.1806","0.0002","5.1806","0.0002","12.8377","0.001","90","","90","","120","","298.39","0.03","293","2","293","2","","","","","","","","3","P 63 m c","P 6c -2c","186","","","","- Al O7 P2 -","- Al O7 P2 -","- Al2 O14 P4 -","2","0.166667","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0377","0.0356","","","0.0963","0.0983","","","","","","1.234","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247107","6.8925","0.0006","7.1249","0.0006","8.6411","0.0014","89.34","0.011","67.136","0.012","87.675","0.007","390.68","0.09","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- Al O5 P -","- Al O5 P -","- Al4 O20 P4 -","4","2","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0963","0.0916","","","0.205","0.21","","","","","","1.116","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247108","7.9101","0.0007","7.9101","0.0007","7.1057","0.0008","90","","90","","120","","385.04","0.06","293","2","293","2","","","","","","","","3","P 63/m","-P 6c","176","","","","- Al3 O19.5 P6 -","- Al3 O19.5 P6 -","- Al3 O19.5 P6 -","1","0.0833333","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0668","0.0603","","","0.1706","0.1749","","","","","","1.149","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247109","6.692","0.0002","6.692","0.0002","13.0305","0.0007","90","","90","","90","","583.54","0.04","293","2","293","2","","","","","","","","3","P 43 21 2","P 4nw 2abw","96","","","","- Ca O3 P -","- Ca O3 P -","- Ca8 O24 P8 -","8","1","","Hao, Yucheng; Zhang, Yang; Zhang, Yuying; Fu, Zixiang; Heng, Chunyang; Li, Junjie; You, Jiatian; Hu, Kunhong; Lin, Yuan; Li, Haijian","A series of novel phosphites/phosphates with deep-ultraviolet cut-off edges from 0D polar to 3D non-polar architectures","CrystEngComm","2023","25","34","4864","4872","10.1039/D3CE00464C","","","0.71073","MoKα","","0.0251","0.0243","","","0.0654","0.0659","","","","","","1.133","","","","has coordinates","286125","2023-09-05","19:44:27",""
"7247110","16.0602","0.0012","7.6455","0.0009","11.9152","0.0013","90","","94.692","0.008","90","","1458.1","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2Py-TP-BT","5-(2-pyridyl)-2-(thiopyran-4-ylidene)-1,3-benzodithiole","","- C17 H11 N S3 -","- C17 H11 N S3 -","- C68 H44 N4 S12 -","4","1","","Nishimoto, Hiroshi; Kawase, Takeshi; Nishida, Jun-ichi","Synthesis, crystal structures and semiconductor properties of 2-(thiopyran-4-ylidene)-1,3-benzodithioles with an aryl substituent","CrystEngComm","2023","25","34","4856","4863","10.1039/D3CE00416C","","x-ray","0.71073","MoKα","","0.0887","0.0465","","","0.0979","0.112","","","","","","1.017","","","","has coordinates","286123","2023-09-05","19:44:08",""
"7247111","6.1579","0.0003","7.5864","0.0004","31.1475","0.0014","90","","90","","90","","1455.1","0.12","298","","298","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","4Py-TP-BT","5-(4-pyridyl)-2-(thiopyran-4-ylidene)-1,3-benzodithiole","","- C17 H11 N S3 -","- C17 H11 N S3 -","- C68 H44 N4 S12 -","4","1","","Nishimoto, Hiroshi; Kawase, Takeshi; Nishida, Jun-ichi","Synthesis, crystal structures and semiconductor properties of 2-(thiopyran-4-ylidene)-1,3-benzodithioles with an aryl substituent","CrystEngComm","2023","25","34","4856","4863","10.1039/D3CE00416C","","x-ray","0.71073","MoKα","","0.1111","0.0553","","","0.1038","0.1217","","","","","","0.997","","","","has coordinates","286123","2023-09-05","19:44:08",""
"7247113","5.6474","0.0009","7.3558","0.0011","10.9693","0.0015","108.023","0.013","94.575","0.012","99.275","0.013","423.55","0.12","293","2","293","2","","","","","","","","4","P -1","-P 1","2","piperazine-1,4-diium di-sorbate","piperazine-1,4-diium di-2e,4e-hexadienoicate","","- C16 H26 N2 O4 -","- C16 H26 N2 O4 -","- C16 H26 N2 O4 -","1","0.5","","Li, Chang; Wu, Di; Gao, Zhenguo; Chen, Wei","Molecular simulation studies on the design of multicomponent sorbic acid crystals for tuning solubility","CrystEngComm","2023","25","34","4889","4901","10.1039/D3CE00392B","","x-ray","0.71073","MoKα","","0.0553","0.0434","","","0.1029","0.114","","","","","","1.041","","","","has coordinates","286126","2023-09-05","19:44:35",""
"7247114","4.0241","0.0002","7.3014","0.0003","20.0901","0.001","97.098","0.004","92.087","0.004","90.663","0.003","585.29","0.05","113.15","","113.15","","","","","","","","","4","P -1","-P 1","2","Nicotinamide Sorbic acid","Nicotinamide 2e,4e-hexadienoicacid","","- C12 H14 N2 O3 -","- C12 H14 N2 O3 -","- C24 H28 N4 O6 -","2","1","","Li, Chang; Wu, Di; Gao, Zhenguo; Chen, Wei","Molecular simulation studies on the design of multicomponent sorbic acid crystals for tuning solubility","CrystEngComm","2023","25","34","4889","4901","10.1039/D3CE00392B","","x-ray","0.71073","MoKα","","0.0585","0.0497","","","0.1281","0.1339","","","","","","1.093","","","","has coordinates","286126","2023-09-05","19:44:35",""
"7247115","8.8238","0.0003","11.919","0.0003","11.9562","0.0003","90","","95.671","0.003","90","","1251.29","0.06","113.15","","113.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","2,6-Diaminopyridinium Sorbate monohydrate","2,6-Diaminopyridinium 2e,4e-hexadienoicate monohydrate","","- C11 H17 N3 O3 -","- C11 H17 N3 O3 -","- C44 H68 N12 O12 -","4","1","","Li, Chang; Wu, Di; Gao, Zhenguo; Chen, Wei","Molecular simulation studies on the design of multicomponent sorbic acid crystals for tuning solubility","CrystEngComm","2023","25","34","4889","4901","10.1039/D3CE00392B","","x-ray","0.71073","MoKα","","0.0415","0.0371","","","0.1001","0.1046","","","","","","1.053","","","","has coordinates","286126","2023-09-05","19:44:35",""
"7247116","27.4286","0.0008","17.9342","0.0002","15.0384","0.0004","90","","133.511","0.005","90","","5365","0.5","223","0.1","223.15","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C74 H78 Cl6 Fe4 N O60 -","- C74 H78 Cl6 Fe4 N O60 -","- C148 H156 Cl12 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","x-ray","1.54184","CuKα","","0.0633","0.0597","","","0.1604","0.1643","","","","","","1.084","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247117","27.2657","0.0008","17.98779","0.00019","15.0294","0.0004","90","","133.512","0.005","90","","5345.8","0.5","223.15","","223.15","","","","","","","","","6","C 1 2 1","C 2y","5","","C74H76Cl4Fe4NO60","","- C74 H80 Cl4 Fe4 N O60 -","- C74 H80 Cl4 Fe4 N O60 -","- C148 H160 Cl8 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","","1.54184","CuKα","","0.0539","0.0531","","","0.1383","0.1392","","","","","","1.026","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247118","27.2902","0.0013","17.9198","0.0003","15.0346","0.0007","90","","133.441","0.009","90","","5338.5","0.9","223","0.1","223","0.1","","","","","","","","6","C 1 2 1","C 2y","5","","[NH4<C72H72O60Fe4](CH2Br2)2","","- C74 H80 Br4 Fe4 N O60 -","- C74 H80 Br4 Fe4 N O60 -","- C148 H160 Br8 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","x-ray","0.71073","MoKα","","0.0745","0.0709","","","0.2038","0.2077","","","","","","1.061","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247119","27.5848","0.0004","17.97775","0.0001","15.1052","0.0002","90","","133.527","0.003","90","","5431.2","0.3","223","","223.15","","","","","","","","","6","C 1 2 1","C 2y","5","","C72H72O60Fe4(CHBr3)2","","- C74 H78 Br6 Fe4 N O60 -","- C74 H78 Br6 Fe4 N O60 -","- C148 H156 Br12 Fe8 N2 O120 -","2","0.5","","Matsumoto, Daiki; Tanaka, Chiaki; Fujibayashi, Masaru; Nishihara, Sadafumi; Takahashi, Kiyonori; Nakamura, Takayoshi; Akutagawa, Tomoyuki; Masuya-Suzuki, Atsuko; Tsunashima, Ryo","Crystallographic and dielectric studies of tetrahedral {NH4@Fe4} crystallized with halomethane molecules","CrystEngComm","2023","25","34","4793","4797","10.1039/D3CE00429E","","x-ray","1.54184","CuKα","","0.0724","0.0708","","","0.1925","0.1947","","","","","","1.021","","","","has coordinates,has disorder","286121","2023-09-05","19:43:53",""
"7247120","4.5991","0.0001","10.1298","0.0003","19.1657","0.0004","79.202","0.003","83.246","0.002","77.704","0.001","854.15","0.04","99.9","0.5","99.9","0.5","","","","","","","","5","P -1","-P 1","2","","","","- C21 H15 F3 N3 O -","- C21 H15 F3 N3 O -","- C42 H30 F6 N6 O2 -","2","1","","Camargo, Bruno; Zajcewa, Irina; Pietrzak, Anna; Obijalska, Emilia; Szczytko, Jacek; Kaszyński, Piotr","Thermally induced dimensionality changes in derivatives of a ""super stable"" Blatter radical.","Physical chemistry chemical physics : PCCP","2023","25","34","22813","22818","10.1039/d3cp01298k","","","1.54184","CuKα","","0.0399","0.0365","","","0.1028","0.1056","","","","","","1.076","","","","has coordinates,has disorder","286197","2023-09-05","20:26:27",""
"7247121","7.9593","0.0002","9.5462","0.0002","13.0766","0.0003","87.499","0.003","78.856","0.002","66.872","0.001","895.92","0.04","99.9","0.4","99.9","0.4","","","","","","","","4","P -1","-P 1","2","","","","- C21 H12 F6 N3 -","- C21 H12 F6 N3 -","- C42 H24 F12 N6 -","2","1","","Camargo, Bruno; Zajcewa, Irina; Pietrzak, Anna; Obijalska, Emilia; Szczytko, Jacek; Kaszyński, Piotr","Thermally induced dimensionality changes in derivatives of a ""super stable"" Blatter radical.","Physical chemistry chemical physics : PCCP","2023","25","34","22813","22818","10.1039/d3cp01298k","","","1.54184","CuKα","","0.0359","0.0326","","","0.088","0.09","","","","","","1.04","","","","has coordinates","286197","2023-09-05","20:26:27",""
"7247122","6.452","0.001","11.032","0.002","28.638","0.005","90","","90","","90","","2038.4","0.6","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H22 K N5 O14 P2 -","- C10 H22 K N5 O14 P2 -","- C40 H88 K4 N20 O56 P8 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.5418","CuKα","","0.036","0.0351","","","0.094","0.0945","","","","","","1.073","","","","has coordinates","286101","2023-09-05","19:38:16",""
"7247123","26.352","0.006","10.99","0.003","6.7232","0.0011","90","","90","","90","","1947.1","0.8","300","2","300","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C20 H41.5 K N10 O26.25 P4 -","- C20 H28 K N10 O26.25 P4 -","- C40 H56 K2 N20 O52.5 P8 -","2","0.5","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.5418","CuKα","","0.0834","0.0681","","","0.1868","0.2024","","","","","","1.052","","","","has coordinates,has disorder","286101","2023-09-05","19:38:16",""
"7247124","26.388","0.009","10.285","0.004","6.2377","0.0015","90","","90","","90","","1692.9","1","320","2","320","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 K N5 O10 P2 -","- C10 H14 K N5 O10 P2 -","- C40 H56 K4 N20 O40 P8 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.5418","CuKα","","0.0792","0.058","","","0.1607","0.18","","","","","","1.101","","","","has coordinates","286101","2023-09-05","19:38:16",""
"7247125","25.939","0.004","11.003","0.002","13.505","0.002","90","","90","","90","","3854.4","1.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H41.5 K N10 O26.25 P4 -","- C20 H41.512 K N10 O26.256 P4 -","- C80 H166.048 K4 N40 O105.024 P16 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","0.71073","MoKα","","0.0395","0.0348","","","0.0876","0.0896","","","","","","1.045","","","","has coordinates,has disorder","286101","2023-09-05","19:38:16",""
"7247126","28.31","0.005","10.412","0.002","6.2855","0.001","90","","90","","90","","1852.7","0.6","100","2","100","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C10 H18 K N5 O12 P2 -","- C10 H18 K N5 O12 P2 -","- C40 H72 K4 N20 O48 P8 -","4","1","","Kaszubowski, Oskar; Ślepokura, Katarzyna","Structural aspects of dehydration and rehydration in the adenosine 5′-diphosphate (ADP)–potassium–water system","CrystEngComm","2023","25","32","4592","4603","10.1039/D3CE00395G","","x-ray","1.54184","CuKα","","0.0392","0.0381","","","0.1006","0.1011","","","","","","1.062","","","","has coordinates,has disorder","286101","2023-09-05","19:38:16",""
"7247127","10.645","0.003","21.957","0.008","8.674","0.003","90","","91.131","0.011","90","","2027","1.2","296","2","295.85","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O7 -","- C20 H19 N3 O7 -","- C80 H76 N12 O28 -","4","1","","Saraiva Costa, Wendell; Santiago de Oliveira, Yara; Ayala, Alejandro Pedro","Polymorphism in cocrystals of metronidazole benzoate","CrystEngComm","2023","25","33","4716","4728","10.1039/D3CE00103B","","x-ray","0.71073","MoKα","","0.1677","0.0634","","","0.1191","0.1633","","","","","","1.001","","","","has coordinates","286105","2023-09-05","19:39:53",""
"7247128","7.2928","0.0005","17.0257","0.0009","25.6078","0.0016","90","","90","","90","","3179.6","0.3","296","2","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 N3 O6 -","- C15 H15 N3 O6 -","- C120 H120 N24 O48 -","8","1","","Saraiva Costa, Wendell; Santiago de Oliveira, Yara; Ayala, Alejandro Pedro","Polymorphism in cocrystals of metronidazole benzoate","CrystEngComm","2023","25","33","4716","4728","10.1039/D3CE00103B","","x-ray","0.71073","MoKα","","0.1387","0.0575","","","0.1285","0.1771","","","","","","1.007","","","","has coordinates","286105","2023-09-05","19:39:53",""
"7247129","11.9068","0.0017","4.8812","0.0007","22.718","0.004","90","","94.231","0.004","90","","1316.8","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C64 H64 O8 -","4","2","","Su, Yu; Wang, Chengyi; Chen, Qipeng; Zhu, Yuanli; Deng, Shaomin; Yang, Shoujin; Jin, Ronghua; Liu, Guohua","Harmonization of an incompatible aqueous aldol condensation/oxa-Michael addition/reduction cascade process over a core–shell-structured thermoresponsive catalyst","Green Chemistry","2023","25","17","6859","6868","10.1039/D3GC01670F","","","0.71073","MoKα","","0.1491","0.0702","","","0.1558","0.2035","","","","","","1.041","","","","has coordinates,has disorder","286138","2023-09-05","19:56:41",""
"7247154","7.4176","0.0005","7.5344","0.0005","13.4049","0.0009","94.585","0.002","101.837","0.002","115.88","0.002","647.36","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O5 -","- C15 H13 N O5 -","- C30 H26 N2 O10 -","2","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Virtual assessment achieved two binary cocrystals based on a liquid and a solid pyridine derivative with modulated thermal stabilities","CrystEngComm","2023","25","34","4798","4811","10.1039/D3CE00608E","","","0.71073","MoKα","","0.0484","0.0392","","","0.1092","0.1154","","","","","","1.045","","","","has coordinates","286124","2023-09-05","19:44:20",""
"7247155","17.3245","0.0007","4.8311","0.0002","18.3867","0.0008","90","","107.778","0.002","90","","1465.41","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C64 H64 N8 O16 -","4","1","","Ejarque, Daniel; Calvet, Teresa; Font-Bardia, Mercè; Pons, Josefina","Virtual assessment achieved two binary cocrystals based on a liquid and a solid pyridine derivative with modulated thermal stabilities","CrystEngComm","2023","25","34","4798","4811","10.1039/D3CE00608E","","","0.71073","MoKα","","0.0646","0.0412","","","0.0896","0.1035","","","","","","1.058","","","","has coordinates","286124","2023-09-05","19:44:20",""
"7247156","10.40289","0.00006","6.00012","0.00003","7.72969","0.00005","90","","117.197","0.0004","90","","429.134","0.005","293","","293","1","","","","","","","","5","C 1 2/m 1","-C 2y","12","K5Yb0.3Eu0.7(MoO4)4","","","- Eu0.7 K5 Mo4 O16 Yb0.3 -","- Eu0.7 K5 Mo4 O16 Yb0.3 -","- Eu0.7 K5 Mo4 O16 Yb0.3 -","1","0.125","","Posokhova, Svetlana M.; Morozov, Vladimir A.; Zonov, Egor M.; Deyneko, Dina V.; Spassky, Dmitry A.; Fedyunin, Fedor D.; Belik, Alexei A.; Pavlova, Erzhena T.; Vasin, Andrey A.; Lazoryak, Bogdan I.","K5Yb1−xEux(MoO4)4 phosphors: aperiodic structures and luminescence properties","CrystEngComm","2023","25","34","4822","4833","10.1039/D3CE00401E","powder diffraction","x-ray","0.65297","synchrotron","","0.0314","0.0313","","0.0391","0.0391","","","","6.01","","","","","","","has coordinates","286119","2023-09-05","19:43:20",""
"7247163","8.1405","0.0002","12.0603","0.0003","14.974","0.0004","70.718","0.002","85.026","0.002","83.285","0.002","1376.3","0.06","293","2","293","2","","","","","","","","7","P -1","-P 1","2","2,3,4,5,6-pentafluorobenzoate-tin-tetraiodoporphrin","","","- C58 H24 F10 I4 N4 O4 Sn -","- C58 H24 F10 I4 N4 O4 Sn -","- C58 H24 F10 I4 N4 O4 Sn -","1","0.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0496","0.0424","","","0.1011","0.1057","","","","","","1.086","","","","has coordinates","286738","2023-10-06","00:05:45",""
"7247164","14.2789","0.0003","16.8821","0.0004","12.1517","0.0003","90","","96.37","0.002","90","","2911.18","0.12","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","4-fluorobenzoate-tin-tetraiodoporphrin","","","- C64 H44 F2 I4 N4 O4 Sn -","- C64 H44 F2 I4 N4 O4 Sn -","- C128 H88 F4 I8 N8 O8 Sn2 -","2","0.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0559","0.045","","","0.1334","0.139","","","","","","1.059","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247165","21.2268","0.0007","15.2917","0.0005","18.6929","0.0005","90","","94.748","0.003","90","","6046.8","0.3","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","2,4,6-trifluorobenzoate-tin-tetraiodoporphrin","","","- C64 H40 F6 I4 N4 O4 Sn -","- C64 H40 F6 I4 N4 O4 Sn -","- C256 H160 F24 I16 N16 O16 Sn4 -","4","0.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0655","0.0542","","","0.1614","0.1709","","","","","","1.073","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247166","12.5134","0.0004","39.2235","0.0008","12.3836","0.0003","90","","103.376","0.003","90","","5913.2","0.3","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3,6-difluorobenzoate-tin-tetraiodoporphrin","","","- C59 H31 Cl3 F4 I4 N4 O4 Sn -","- C59 H31 Cl3 F4 I4 N4 O4 Sn -","- C236 H124 Cl12 F16 I16 N16 O16 Sn4 -","4","1","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0656","0.0554","","","0.1711","0.1791","","","","","","1.07","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247167","12.5356","0.0003","40.7661","0.0008","12.4757","0.0003","90","","102.912","0.002","90","","6214.2","0.2","293","2","293","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","3,4-difluorobenzoate-tin-tetraiodoporphrin","","","- C65 H43 Cl3 F4 I4 N4 O4 Sn -","- C65 H43 Cl3 F4 I4 N4 O4 Sn -","- C260 H172 Cl12 F16 I16 N16 O16 Sn4 -","4","1","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0682","0.0569","","","0.159","0.1658","","","","","","1.022","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247168","15.5029","0.0003","19.537","0.0004","22.8054","0.0004","90","","102.773","0.002","90","","6736.4","0.2","293","2","293","2","","","","","","","","7","C 1 c 1","C -2yc","9","2,3,5,6-tetrafluorobenzoate-tin-tetraiodoporphrin","","","- C70 H50 F8 I4 N4 O4 Sn -","- C70 H50 F8 I4 N4 O4 Sn -","- C280 H200 F32 I16 N16 O16 Sn4 -","4","1","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.04","0.0349","","","0.098","0.1019","","","","","","1.045","","","","has coordinates,has disorder","286738","2023-10-06","00:05:46",""
"7247169","10.6659","0.0001","24.8734","0.0004","30.8319","0.0004","90","","92.536","0.001","90","","8171.61","0.19","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","2,3,4,5-tetrafluorobenzoate-tin-tetraiodoporphrin","","","- C58 H26 F8 I4 N4 O4 Sn -","- C58 H26 F8 I4 N4 O4 Sn -","- C348 H156 F48 I24 N24 O24 Sn6 -","6","1.5","","Siddiqui, Rafia; Rani, Jyoti; Akshita,; Dhamija, Swati; Shivam, Kumar; Kagra, Deepika; Sharma, Purshotam; Venugopalan, P.; Patra, Ranjan","Homo- and hetero-halogen interaction based molecular associations in wheel–axle topology derived Sn(iv) porphyrin complexes: an experimental and theoretical analysis","CrystEngComm","2023","25","35","4946","4959","10.1039/D3CE00342F","","","0.71073","MoKα","","0.0844","0.0648","","","0.2008","0.2147","","","","","","1.078","","","","has coordinates","286738","2023-10-06","00:05:46",""
"7247170","11.1507","0.0006","11.742","0.0006","14.0683","0.0007","73.932","0.005","85.67","0.004","84.591","0.004","1759.79","0.16","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N20 O2 Pb3 -","- C26 H22 N20 O2 Pb3 -","- C52 H44 N40 O4 Pb6 -","2","1","","Mahmoudi, Ghodrat; Zangrando, Ennio; Gurbanov, Atash V.; Eftekhari-Sis, Bagher; Mitoraj, Mariusz P.; Sagan, Filip; Safin, Damir A.","Tetrel bonding stabilization of a new coordination polymer constructed from lead(ii) azide and 1-(pyridin-2-yl)ethylidenepicolinohydrazide","CrystEngComm","2023","25","36","5100","5108","10.1039/D3CE00596H","","","0.71073","MoKα","","0.0927","0.0629","","","0.1359","0.1498","","","","","","1.086","","","","has coordinates","286732","2023-10-06","00:04:42",""
"7247177","17.0535","0.0006","10.0663","0.0004","6.9926","0.0002","90","","91.543","0.003","90","","1199.95","0.07","296.89","0.15","296.89","0.15","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C14 H28 Co Li N8 O14 -","- C14 H26 Co Li N8 O14 -","- C28 H52 Co2 Li2 N16 O28 -","2","0.5","","Yue, Zhi-Yuan; Liao, Rong-Meng; Luo, Wang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao","A room-temperature nitrite-based hybrid bimetal molecular ferroelectric material: [(R)-3-quinuclidinol]2[LiCo(NO2)6]","CrystEngComm","2023","25","36","5085","5091","10.1039/D3CE00536D","","x-ray","0.71073","MoKα","","0.1025","0.0967","","","0.274","0.2827","","","","","","1.09","","","","has coordinates,has disorder","286733","2023-10-06","00:04:48",""
"7247178","9.9786","0.0003","9.9786","0.0003","7.0265","0.0003","90","","90","","120","","605.91","0.04","350","15","350","15","","","","","","","","6","P 3 2 1","P 3 2""","150","","","","- C14 H28 Co Li N8 O14 -","- C5.9994 Co Li N7.9998 O13.9998 -","- C5.9994 Co Li N7.9998 O13.9998 -","1","0.166667","","Yue, Zhi-Yuan; Liao, Rong-Meng; Luo, Wang; Wang, Na; Miao, Le-Ping; Ye, Heng-Yun; Shi, Chao","A room-temperature nitrite-based hybrid bimetal molecular ferroelectric material: [(R)-3-quinuclidinol]2[LiCo(NO2)6]","CrystEngComm","2023","25","36","5085","5091","10.1039/D3CE00536D","","x-ray","0.71073","MoKα","","0.1227","0.115","","","0.2907","0.2977","","","","","","1.332","","","","has coordinates,has disorder","286733","2023-10-06","00:04:48",""
"7247179","5.3766","0.0003","8.7055","0.0005","15.6819","0.0008","90","","99.722","0.002","90","","723.47","0.07","100","2","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 Cl2 N2 -","- C16 H14 Cl2 N2 -","- C32 H28 Cl4 N4 -","2","0.5","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","1.54178","CuKα","","0.0243","0.0243","","","0.0639","0.0639","","","","","","1.057","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247180","5.5678","0.0002","8.7473","0.0004","15.6491","0.0007","90","","98.8027","0.0014","90","","753.18","0.06","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-Bromoacetophenone azine","","- C16 H14 Br2 N2 -","- C16 H14 Br2 N2 -","- C32 H28 Br4 N4 -","2","0.5","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","1.54178","CuKα","","0.0215","0.0215","","","0.056","0.0561","","","","","","1.119","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247181","15.0686","0.0006","9.1426","0.0004","10.3068","0.0004","90","","93.7551","0.0013","90","","1416.88","0.1","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4-chloroacetophenone azine","","- C16 H14 Cl2 N2 -","- C16 H14 Cl2 N2 -","- C64 H56 Cl8 N8 -","4","1","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","0.71073","MoKα","","0.0543","0.0421","","","0.0865","0.0944","","","","","","1.138","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247182","9.3239","0.0007","10.3551","0.0007","30.346","0.002","90","","90","","90","","2929.9","0.4","100","","100","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-bromoacetophenone azine","","- C16 H14 Br2 N2 -","- C16 H14 Br2 N2 -","- C128 H112 Br16 N16 -","8","1","","Bhoday, Harmeet; Yang, Kaidi; Kelley, Steven P.; Glaser, Rainer","Crystal environment induced symmetry reduction (CEISR): deep analysis of para-chloroacetophenone azine and generalization","CrystEngComm","2023","25","33","4638","4657","10.1039/D3CE00676J","","","0.71073","MoKα","","0.0476","0.0319","","","0.0583","0.0627","","","","","","1.076","","","","has coordinates","286106","2023-09-05","19:40:01",""
"7247185","5.3204","0.0002","13.5037","0.0009","43.718","0.002","82.294","0.005","89.769","0.004","89.83","0.004","3112.5","0.3","105","7","105","7","","","","","","","","6","P -1","-P 1","2","","","","- C51 H108 N3 Na O15 S3 -","- C51 H108 N3 Na O15 S3 -","- C102 H216 N6 Na2 O30 S6 -","2","1","","Arul Prakash, Sukanya; Chinapaka, Ravindar; John, Martin Luther; Dey, Somnath; Kamlekar, Ravi Kanth","Crystal structure, molecular packing, and intermolecular interactions of N-pentadecanoyltaurine and N-acyltaurine's interaction with cholesterol","CrystEngComm","2023","25","37","5286","5295","10.1039/D3CE00646H","","","0.71073","MoKα","","0.279","0.1111","","","0.2334","0.3161","","","","","","0.932","","","","has coordinates","286723","2023-10-06","00:02:24",""
"7247186","14.02999","0.00014","43.3663","0.0003","33.7009","0.0002","90","","94.381","0.0008","90","","20444.7","0.3","153","4","153","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Cd@pyridine","","- C116.5 H93.63 Cd4.67 N14.83 O28.5 -","- C116.5 H93.6333 Cd4.66667 N14.8333 O28.5 -","- C699 H561.8 Cd28 N89 O171 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0884","0.0788","","","0.2157","0.2264","","","","","","1.044","","","","has coordinates,has disorder","286742","2023-10-06","00:07:28",""
"7247187","13.6817","0.0002","43.2808","0.0004","33.7646","0.0004","90","","95.3182","0.0014","90","","19907.8","0.4","154","7","154","7","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-tetra(dimethlyformamide)-tetraaqua-hepta cadmium acetonitrile","","- C142.2 H117.2 Cd6.8 N19.5 O48 -","- C142.2 H116.7 Cd6.8 N19.5 O48 -","- C568.8 H466.8 Cd27.2 N78 O192 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0906","0.0757","","","0.2108","0.228","","","","","","1.077","","","","has coordinates,has disorder","286742","2023-10-06","00:07:28",""
"7247188","14.1427","0.0003","43.199","0.0006","33.7991","0.0004","90","","94.7053","0.0016","90","","20580","0.6","158","11","158","11","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1407","","- C173.5 H146.25 Cd7 N19.25 O46 -","- C173.5 H146.25 Cd7 N19.25 O46 -","- C694 H585 Cd28 N77 O184 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.1102","0.0886","","","0.2398","0.2594","","","","","","1.034","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247189","13.9475","0.0002","43.3134","0.0004","33.5321","0.0004","90","","94.4569","0.0011","90","","20195.9","0.4","151","1","151","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-tri(dimethlyformamide)-pentaaqua-hepta cadmium acetone","","- C117.39 H103.38 Cd5.6 N14.2 O39.66 -","- C117.392 H103.384 Cd5.6 N14.2 O39.656 -","- C586.96 H516.92 Cd28 N71 O198.28 -","5","1.25","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.1078","0.084","","","0.22","0.2454","","","","","","1.031","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247190","14.68693","0.00011","42.8432","0.0003","33.8507","0.0002","90","","93.1111","0.0007","90","","21268.7","0.3","155","7","155","7","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1355","","- C115.44 H96.4 Cd5.6 N14.68 O39.2 -","- C113.52 H93.2 Cd5.6 N14.44 O39.2 -","- C567.6 H466 Cd28 N72.2 O196 -","5","1.25","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0878","0.0794","","","0.2327","0.2426","","","","","","1.029","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247191","14.615","0.0001","43.0674","0.0003","33.6023","0.0002","90","","93.676","0.001","90","","21106.8","0.2","137.4","0.6","137.4","0.6","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1363","","- C94.83 H81.86 Cd4 N10.57 O28.17 -","- C94.8286 H80.4286 Cd4 N10.5714 O28.1714 -","- C663.8 H563 Cd28 N74 O197.2 -","7","1.75","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0822","0.0759","","","0.208","0.2136","","","","","","1.06","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247192","14.75582","0.00016","42.951","0.0003","33.8388","0.0003","90","","93.4415","0.0009","90","","21407.6","0.3","152","4","152","4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1393","","- C123 H108.67 Cd4.67 N15 O27.67 -","- C123 H108.667 Cd4.66667 N15 O27.6667 -","- C738 H652 Cd28 N90 O166 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.104","0.0923","","","0.2409","0.2526","","","","","","1.06","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247193","14.6954","0.0002","42.2913","0.0004","33.8929","0.0004","90","","91.649","0.001","90","","21055.3","0.4","149.4","0.8","149.4","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-tetra(dimethlyformamide)-tetraaqua-hepta cadmium dimethylformamide","","- C147.75 H0.25 Cd7 N20.75 O51.75 -","- C146.25 H135.25 Cd7 N20.25 O51.25 -","- C585 H541 Cd28 N81 O205 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0946","0.0751","","","0.2019","0.2235","","","","","","1.02","","","","has coordinates","286742","2023-10-06","00:07:29",""
"7247194","14.5221","0.0001","42.7754","0.0002","33.9548","0.0002","90","","93.429","0.001","90","","21054.6","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","catena- [tetrakis(μ6-4,4?4??-[1,3,5-benzenetriyltris(carbonylimino)]-trisbenzoateo)-bis(μ3-oxo)-penta(dimethlyformamide)-triaqua-hepta cadmium isopropanol","","- C106.46 H110.99 Cd4.67 N14.5 O36 -","- C106.467 H110.833 Cd4.66667 N14.5 O36 -","- C638.8 H665 Cd28 N87 O216 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0596","0.055","","","0.1602","0.1673","","","","","","1.035","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247195","14.9412","0.0002","42.7238","0.0004","33.8725","0.0004","90","","93.6969","0.0014","90","","21577.3","0.4","156","9","156","9","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1386","","- C161.75 H131 Cd6.9 N25.5 O41.65 -","- C161.75 H131 Cd6.9 N25.5 O41.65 -","- C647 H524 Cd27.6 N102 O166.6 -","4","1","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.118","0.1101","","","0.2867","0.2931","","","","","","1.063","","","","has coordinates,has disorder","286742","2023-10-06","00:07:29",""
"7247196","14.0589","0.00012","43.1549","0.0002","33.7222","0.0002","90","","94.5246","0.0007","90","","20395.8","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","xstr1410","","- C110.67 H81.33 Cd4.67 N12.67 O28.67 -","- C110.667 H81.3333 Cd4.66667 N12.6667 O28.6667 -","- C664 H488 Cd28 N76 O172 -","6","1.5","","Habib, Faiza; Tocher, Derek A.; Carmalt, Claire J.","Encapsulation of N-containing compounds in a new hydrophilic Cd-based crystalline sponge via coordinative alignment method","CrystEngComm","2023","25","35","5001","5011","10.1039/D3CE00592E","","x-ray","1.54184","CuKα","","0.0954","0.0797","","","0.2062","0.2236","","","","","","1.046","","","","has coordinates","286742","2023-10-06","00:07:29",""
"7247197","5.4248","0.0001","30.6105","0.0006","12.8838","0.0002","90","","94.772","0.001","90","","2132.01","0.07","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O4 S -","- C24 H27 N O4 S -","- C96 H108 N4 O16 S4 -","4","1","","Gao, Yuzhen; Liu, Siqing; Su, Weiping","CO2-facilitated radical sequential (3 + 2) annulation of 1,6-enynes via cooperation of sulfinate catalysis and photocatalysis","Green Chemistry","2023","25","18","7335","7343","10.1039/D3GC02326E","","","1.54178","CuKα","","0.0689","0.0583","","","0.1855","0.2147","","","","","","1.12","","","","has coordinates","286753","2023-10-06","00:19:30",""
"7247198","8.3269","0.0008","11.8421","0.0012","13.6257","0.0014","69.743","0.004","74.537","0.004","81.231","0.004","1212.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H23 N O3 S -","- C30 H23 N O3 S -","- C60 H46 N2 O6 S2 -","2","1","","Gao, Yuzhen; Liu, Siqing; Su, Weiping","CO2-facilitated radical sequential (3 + 2) annulation of 1,6-enynes via cooperation of sulfinate catalysis and photocatalysis","Green Chemistry","2023","25","18","7335","7343","10.1039/D3GC02326E","","","0.71073","MoKα","","0.145","0.0687","","","0.1731","0.2314","","","","","","1.257","","","","has coordinates","286753","2023-10-06","00:19:30",""
"7247199","23.0076","0.0002","7.7676","0.0001","18.0741","0.0002","90","","99.883","0.001","90","","3182.16","0.06","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C152 H176 O32 -","8","1","","Gao, Yuzhen; Liu, Siqing; Su, Weiping","CO2-facilitated radical sequential (3 + 2) annulation of 1,6-enynes via cooperation of sulfinate catalysis and photocatalysis","Green Chemistry","2023","25","18","7335","7343","10.1039/D3GC02326E","","","1.54178","CuKα","","0.0446","0.0421","","","0.1104","0.1145","","","","","","1.104","","","","has coordinates","286753","2023-10-06","00:19:30",""
"7247201","36.833","0.005","10.295","0.0014","20.105","0.003","90","","102.065","0.006","90","","7455.3","1.8","300","2","300","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H84 Cd3 N6 O36 -","- C52 H52 Cd3 N6 O36 -","- C208 H208 Cd12 N24 O144 -","4","0.5","","Goswami, Anindita; Dutta, Prantik; Biradha, Kumar","Metal–organic frameworks with open metal sites act as efficient heterogeneous catalysts for Knoevenagel condensation and the Chan–Lam coupling reaction","CrystEngComm","2023","25","36","5092","5099","10.1039/D3CE00663H","","","0.71073","MoKα","","0.1367","0.0896","","","0.2264","0.2476","","","","","","1.34","","","","has coordinates","286737","2023-10-06","00:05:28",""
"7247202","30.4107","0.0013","30.4107","0.0013","30.414","","90","","90","","90","","28127.2","1.7","120","2","120","2","","","","","","","","5","I 4/m","-I 4","87","","","","- C312 H276 Cu24 N30 O144 -","- C320 H312 Cu24 N40 O144 -","- C640 H624 Cu48 N80 O288 -","2","0.125","","Goswami, Anindita; Dutta, Prantik; Biradha, Kumar","Metal–organic frameworks with open metal sites act as efficient heterogeneous catalysts for Knoevenagel condensation and the Chan–Lam coupling reaction","CrystEngComm","2023","25","36","5092","5099","10.1039/D3CE00663H","","","0.71073","MoKα","","0.1298","0.0585","","","0.1609","0.2118","","","","","","1.182","","","","has coordinates","286737","2023-10-06","00:05:28",""
"7247203","16.0415","0.001","6.6425","0.0004","44.992","0.003","90","","90","","90","","4794.2","0.5","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C28 H25 N O7 -","- C28 H25 N O7 -","- C224 H200 N8 O56 -","8","1","","Meng, Lingshan; Li, Duanxiu; Zhu, Yujing; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pirfenidone–flavonoid cocrystals with reduced solubility and dissolution rate","CrystEngComm","2023","25","36","5133","5140","10.1039/D3CE00402C","","","0.71073","MoKα","","0.0878","0.067","","","0.1828","0.196","","","","","","1.07","","","","has coordinates,has disorder","286734","2023-10-06","00:04:56",""
"7247204","18.9053","0.0006","8.2831","0.0002","20.9395","0.0005","90","","98.594","0.002","90","","3242.19","0.15","273","2","273","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C39 H32 N2 O7 -","- C39 H32 N2 O7 -","- C156 H128 N8 O28 -","4","1","","Meng, Lingshan; Li, Duanxiu; Zhu, Yujing; Wang, Jianming; Deng, Zongwu; Zhang, Hailu","Pirfenidone–flavonoid cocrystals with reduced solubility and dissolution rate","CrystEngComm","2023","25","36","5133","5140","10.1039/D3CE00402C","","","1.54178","CuKα","","0.0604","0.0566","","","0.1742","0.1822","","","","","","1.127","","","","has coordinates","286734","2023-10-06","00:04:57",""
"7247205","18.4305","0.0012","3.7948","0.0002","25.3173","0.0015","90","","90","","90","","1770.69","0.18","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H6 O2 -","- C12 H7 O2 -","- C96 H56 O16 -","8","2","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.1136","0.1031","","","0.2383","0.2563","","","","","","1.103","","","","has coordinates,has disorder","286727","2023-10-06","00:03:10",""
"7247206","4.1607","0.0002","14.3681","0.0005","16.2365","0.0005","70.813","0.003","88.318","0.003","83.695","0.003","911.15","0.06","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 F4 I2 O2 -","- C18 H8 F4 I2 O2 -","- C36 H16 F8 I4 O4 -","2","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0317","0.0261","","","0.0611","0.0637","","","","","","1.076","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247207","29.444","0.0008","8.5268","0.0002","18.3966","0.0005","90","","91.377","0.003","90","","4617.4","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H14 F4 I2 N2 -","- C26 H14 F4 I2 N2 -","- C208 H112 F32 I16 N16 -","8","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0217","0.0189","","","0.0469","0.0479","","","","","","1.041","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247208","7.4786","0.0008","8.5409","0.0007","14.6445","0.0011","75.696","0.009","77.44","0.01","88.124","0.008","884.49","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H8 F4 I2 O2 -","- C18 H8 F4 I2 O2 -","- C36 H16 F8 I4 O4 -","2","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0505","0.04","","","0.1213","0.1316","","","","","","1.078","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247209","4.22529","0.00016","34.4499","0.0015","21.9267","0.001","90","","91.425","0.004","90","","3190.7","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H14 F8 I4 N2 -","- C32 H14 F8 I4 N2 -","- C128 H56 F32 I16 N8 -","4","1","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0404","0.0283","","","0.0543","0.0582","","","","","","1.026","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247210","34.3394","0.0016","7.4235","0.0003","19.2266","0.001","90","","90","","90","","4901.2","0.4","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C26 H14 F3 I3 N2 -","- C26 H14 F3 I3 N2 -","- C208 H112 F24 I24 N16 -","8","0.5","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.0315","0.0252","","","0.0588","0.0631","","","","","","1.051","","","","has coordinates","286727","2023-10-06","00:03:10",""
"7247211","18.2877","0.0005","30.6219","0.0007","28.2054","0.001","90","","98.227","0.003","90","","15632.6","0.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H8 F3 I3 O2 -","- C18 H8 F3 I3 O2 -","- C576 H256 F96 I96 O64 -","32","8","","Dogaru, Andreea; Apostol, Adrian A.; Maxim, Catalin; Raduca, Mihai; Novikov, Alexander S.; Nicolescu, Alina; Deleanu, Calin; Nica, Simona; Andruh, Marius","Halogen bonded supramolecular assemblies constructed from azulene derivatives and perfluorinated di-/triiodobenzenes","CrystEngComm","2023","25","37","5243","5261","10.1039/D3CE00752A","","","0.71073","MoKα","","0.1232","0.0665","","","0.139","0.1725","","","","","","1.118","","","","has coordinates","295543","2024-10-18","15:17:10",""
"7247212","7.804","0.011","10.261","0.014","11.611","0.016","100.605","0.013","102.623","0.013","94.906","0.013","884","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N O2 -","- C23 H19 N O2 -","- C46 H38 N2 O4 -","2","1","","Pathak, Debabrat; Kalita, Bikash Kumar; Sarmah, Ashish; Sharma, Himanshu; Bora, Bidisha; Goswami, Tridib K.; Sarma, Bipul","Metal-free reusable hollow-spherical triazine microporous organic polymer supported quinolines synthesis via hydrogen evolution","Green Chemistry","2023","25","19","7642","7652","10.1039/D3GC02172F","","","0.71073","MoKα","","0.1034","0.0569","","","0.1359","0.1647","","","","","","0.982","","","","has coordinates","286752","2023-10-06","00:19:10",""
"7247213","14.183","0.003","12.855","0.003","8.8411","0.0019","90","","98.111","0.006","90","","1595.8","0.6","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 N -","- C23 H17 N -","- C92 H68 N4 -","4","1","","Pathak, Debabrat; Kalita, Bikash Kumar; Sarmah, Ashish; Sharma, Himanshu; Bora, Bidisha; Goswami, Tridib K.; Sarma, Bipul","Metal-free reusable hollow-spherical triazine microporous organic polymer supported quinolines synthesis via hydrogen evolution","Green Chemistry","2023","25","19","7642","7652","10.1039/D3GC02172F","","","0.71073","MoKα","","0.0659","0.0425","","","0.1037","0.1161","","","","","","1.037","","","","has coordinates","286752","2023-10-06","00:19:17",""
"7247214","10.699","0.009","24.611","0.019","11.444","0.009","90","","112.405","0.019","90","","2786","4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","2","","Pathak, Debabrat; Kalita, Bikash Kumar; Sarmah, Ashish; Sharma, Himanshu; Bora, Bidisha; Goswami, Tridib K.; Sarma, Bipul","Metal-free reusable hollow-spherical triazine microporous organic polymer supported quinolines synthesis via hydrogen evolution","Green Chemistry","2023","25","19","7642","7652","10.1039/D3GC02172F","","","0.71073","MoKα","","0.1156","0.0693","","","0.1619","0.1997","","","","","","1.05","","","","has coordinates","286752","2023-10-06","00:19:17",""
"7247216","10.5137","0.0004","5.4852","0.0002","10.3155","0.0004","90","","110.873","0.002","90","","555.85","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","N1,N2-bis(5-methylisoxazol-3-yl)oxalamide","N1,N2-bis(5-methylisoxazol-3-yl)oxalamide","","- C10 H10 N4 O4 -","- C10 H10 N4 O4 -","- C20 H20 N8 O8 -","2","0.5","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","x-ray","1.54178","CuKα","","0.0574","0.0406","","","0.1018","0.1134","","","","","","1.036","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247217","9.5647","0.0002","4.6961","0.0001","13.7344","0.0003","90","","97.14","0.001","90","","612.12","0.02","293","2","293","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C22 H24 N8 O8 -","2","0.5","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","","1.54178","CuKα","","0.0432","0.0404","","","0.112","0.1157","","","","","","1.045","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247218","20.0136","0.0006","8.2017","0.0003","9.831","0.0003","90","","90","","90","","1613.71","0.09","294","2","294","2","","","","","","","","5","P m n 21","P 2ac -2","31","malonamide-DMSO solvate","N1,N3-bis (5-methylisoxazol-3-yl)malonamide","","- C13 H18 N4 O5 S -","- C13 H18 N4 O5 S -","- C52 H72 N16 O20 S4 -","4","1","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","","1.54178","CuKα","","0.0366","0.0347","","","0.0965","0.0985","","","","","","1.067","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247219","4.9247","0.0002","9.8219","0.0005","12.0712","0.0006","88.35","0.002","82.491","0.001","88.948","0.002","578.57","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","N1,N3-bis(5-methylisoxazol-3-yl)malonamide","","- C11 H12 N4 O4 -","- C11 H12 N4 O4 -","- C22 H24 N8 O8 -","2","1","","Pagliari, Anderson B.; Rosa, Jéssica M. L.; de Lima, Priscila S. V.; Zimmer, Geórgia C.; da Silva, Maria E. C.; de Oliveira, Érica G.; Bonacorso, Helio G.; Zanatta, Nilo; Martins, Marcos A. P.","Polymorphism in N-(5-methylisoxazol-3-yl)malonamide: understanding the supramolecular structure and the crystallization mechanism","CrystEngComm","2023","25","36","5118","5132","10.1039/D3CE00643C","","","0.71073","MoKα","","0.0377","0.0355","","","0.087","0.0885","","","","","","1.062","","","","has coordinates","286736","2023-10-06","00:05:14",""
"7247220","11.135","0.002","19.665","0.004","21.122","0.004","106.71","0.03","102.08","0.03","104.65","0.03","4082","2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H88 Cl4 N4 O9 Zn2 -","- C88 H88 Cl4 N4 O9 Zn2 -","- C176 H176 Cl8 N8 O18 Zn4 -","2","1","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.74","synchrotron","","0.1295","0.0669","","","0.2005","0.2321","","","","","","0.871","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247221","6.0205","0.001","18.3","0.003","23.836","0.004","90","","91.674","0.005","90","","2625","0.8","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C58 H52 Cl4 N6 O2 Zn2 -","- C58 H52 Cl4 N6 O2 Zn2 -","- C116 H104 Cl8 N12 O4 Zn4 -","2","0.5","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.71073","MoKα","","0.0661","0.0451","","","0.1054","0.1173","","","","","","1.05","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247222","13.164","0.003","17.894","0.004","21.651","0.004","76.66","0.03","72.73","0.03","85.85","0.03","4739","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C217 H210 Cl10 N8 O12 Zn4 -","- C217 H210 Cl10 N8 O12 Zn4 -","- C217 H210 Cl10 N8 O12 Zn4 -","1","0.5","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.63","synchrotron","","0.0868","0.0757","","","0.2352","0.2431","","","","","","1.163","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247223","13.7962","0.0011","17.9965","0.0012","20.997","0.0015","75.579","0.004","72.959","0.005","88.789","0.005","4819.7","0.6","193","2","193","2","","","","","","","","6","P -1","-P 1","2","","","","- C100 H88 Cl4 N4 O4 Zn2 -","- C100 H88 Cl4 N4 O4 Zn2 -","- C200 H176 Cl8 N8 O8 Zn4 -","2","1","","Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang","Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode","CrystEngComm","2023","25","36","5077","5084","10.1039/D3CE00671A","","","0.71073","MoKα","","0.2581","0.132","","","0.3165","0.4546","","","","","","1.086","","","","has coordinates,has disorder","286731","2023-10-06","00:04:36",""
"7247224","10.9842","0.0003","7.9342","0.0002","25.1271","0.0007","90","","91.717","0.002","90","","2188.86","0.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H18 Cl3 N3 -","- C6 H18 Cl3 N3 -","- C48 H144 Cl24 N24 -","8","2","","Hu, Zheng-Hui; Gong, Chen; Sun, Shu-Qi; Liu, Xin-Yu; Gao, Ji-Xing","High temperature switchable dielectric properties in molecular crystal material 1,4,7-triazacyclononane trihydrochloride","CrystEngComm","2023","25","37","5304","5309","10.1039/D3CE00706E","","","0.71073","MoKα","","0.0583","0.0508","","","0.1302","0.134","","","","","","1.001","","","","has coordinates","286725","2023-10-06","00:02:46",""
"7247225","8.0176","0.0006","8.0176","0.0006","15.1832","0.0012","90","","90","","120","","845.25","0.11","403","2","403","2","","","","","","","","4","R -3 m :H","-R 3 2""","166","","","","- C6 H18 Cl3 N3 -","- C6 H18 Cl3 N3 -","- C18 H54 Cl9 N9 -","3","0.0833333","","Hu, Zheng-Hui; Gong, Chen; Sun, Shu-Qi; Liu, Xin-Yu; Gao, Ji-Xing","High temperature switchable dielectric properties in molecular crystal material 1,4,7-triazacyclononane trihydrochloride","CrystEngComm","2023","25","37","5304","5309","10.1039/D3CE00706E","","","0.71073","MoKα","","0.1271","0.1164","","","0.3415","0.3539","","","","","","1.002","","","","has coordinates","286725","2023-10-06","00:02:47",""
"7247228","7.8341","0.0005","10.1533","0.0006","14.2642","0.0009","90","","90","","90","","1134.6","0.12","293","10","293","10","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C5 H11 Br3 F N Pb -","- C5 H11 Br3 F N Pb -","- C20 H44 Br12 F4 N4 Pb4 -","4","1","","Gan, Tian; Xu, Zhe-Kun; Gan, Jia-Qi; Wang, Zhong-Xia","Structural dimension engineering and high-temperature dielectric–optical switching in fluorine-substituted lead bromide hybrid perovskites","CrystEngComm","2023","25","35","5029","5034","10.1039/D3CE00644A","","x-ray","0.71073","MoKα","","0.079","0.0658","","","0.1615","0.1687","","","","","","1.011","","","","has coordinates","286744","2023-10-06","00:07:46",""
"7247229","12.205","0.0003","12.205","0.0003","51.295","0.003","90","","90","","90","","7641","0.5","293","2","293","","","","","","","","","6","P 41 21 2","P 4abw 2nw","92","","","","- C20 H40 Br8 F8 N4 Pb2 -","- C20 H40 Br8 F8 N4 Pb2 -","- C160 H320 Br64 F64 N32 Pb16 -","8","1","","Gan, Tian; Xu, Zhe-Kun; Gan, Jia-Qi; Wang, Zhong-Xia","Structural dimension engineering and high-temperature dielectric–optical switching in fluorine-substituted lead bromide hybrid perovskites","CrystEngComm","2023","25","35","5029","5034","10.1039/D3CE00644A","","","0.71073","MoKα","","0.0979","0.071","","","0.1473","0.1575","","","","","","1.04","","","","has coordinates","286744","2023-10-06","00:07:46",""
"7247230","6.1745","0.0003","6.8716","0.0003","28.3078","0.0012","90","","96.189","0.004","90","","1194.06","0.09","93","2","93","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C52 H36 Br8 N4 O4 -","4","0.5","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","0.71073","MoKα","","0.0453","0.041","","","0.0947","0.0958","","","","","","1.381","","","","has coordinates,has disorder","286735","2023-10-06","00:05:06",""
"7247231","6.0569","0.0001","6.933","0.0001","28.5038","0.0003","90","","90","","90","","1196.95","0.03","93","2","93","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C52 H36 Br8 N4 O4 -","4","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","1.54184","CuKα","","0.0306","0.0306","","","0.0843","0.0843","","","","","","1.187","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247232","56.5791","0.001","6.894","0.0001","6.1018","0.0001","90","","90","","90","","2380.05","0.07","103","2","103","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C104 H72 Br16 N8 O8 -","8","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","1.54184","CuKα","","0.0544","0.054","","","0.1193","0.1194","","","","","","1.375","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247233","55.8702","0.001","6.9161","0.0002","6.1083","0.0001","90","","90","","90","","2360.27","0.09","153","2","153","2","","","","","","","","6","P c c n","-P 2ab 2ac","56","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C104 H72 Br8 Cl8 N8 O8 -","8","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","1.54184","CuKα","","0.1201","0.1145","","","0.258","0.2599","","","","","","1.171","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247234","27.8584","0.0009","6.8627","0.0003","6.1547","0.0002","90","","95.84","0.003","90","","1170.57","0.07","93","2","93","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br Cl N O -","- C13 H9 Br Cl N O -","- C52 H36 Br4 Cl4 N4 O4 -","4","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","0.71073","MoKα","","0.075","0.0662","","","0.1266","0.1299","","","","","","1.174","","","","has coordinates,has disorder","286735","2023-10-06","00:05:07",""
"7247235","56.4542","0.0012","6.902","0.0002","6.1053","0.0001","90","","90","","90","","2378.91","0.09","93","2","93","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C13 H9 Br2 N O -","- C13 H9 Br2 N O -","- C104 H72 Br16 N8 O8 -","8","1","","Yoshikawa, Isao; Zhang, Zaixiang; Suzuki, Masahiro; Ikedo, Hana; Yin, Qiuxiang; Houjou, Hirohiko","Active control of molecular stacking types in a congeneric library of dihalogenated salicylideneaniline crystals and their solid solutions","CrystEngComm","2023","25","36","5109","5117","10.1039/D3CE00601H","","","0.71073","MoKα","","0.0431","0.0391","","","0.0958","0.0976","","","","","","1.116","","","","has coordinates","286735","2023-10-06","00:05:07",""
"7247242","10.89048","0.00015","9.54267","0.00014","10.63046","0.00015","90","","115.645","0.0004","90","","995.94","0.02","298","","298","","","","","","","","mechanochemical synthesis","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N3 O3 -","- C10 H7 N3 O3 -","- C40 H28 N12 O12 -","4","1","","Scheurrell, Kerstin; B Martins, Inês C; Murray, Claire; Emmerling, Franziska","Exploring the role of solvent polarity in mechanochemical Knoevenagel condensation: <i>in situ</i> investigation and isolation of reaction intermediates.","Physical chemistry chemical physics : PCCP","2023","25","35","23637","23644","10.1039/d3cp02883f","powder diffraction","x-ray","0.8266","synchrotron","","","","","","","","","0.0353","1.73243","","","","","","","has coordinates","286812","2023-10-06","00:51:41",""
"7247246","5.5038","0.0003","15.3084","0.0009","9.9468","0.0006","90","","92.58","0.002","90","","837.21","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 Cu N4 O6 -","- C16 H14 Cu N4 O6 -","- C32 H28 Cu2 N8 O12 -","2","0.5","","Li, Wen-Ze; Li, Jing; Zhao, Hong-Tian; Zhang, Xiao-Sa; Liu, Yu; Liu, Zhi-Tong; Fu, Hong-Xin; Luan, Jian","Fabrication of two 2D Cu-based coordination polymers via a secondary ligand adjustment and a derived Cu/Cu2O heterojunction for an enhanced dye removal capacity","CrystEngComm","2023","25","37","5351","5361","10.1039/D3CE00684K","","","0.71073","MoKα","","0.0619","0.0398","","","0.0736","0.0806","","","","","","1.011","","","","has coordinates","286726","2023-10-06","00:02:55",""
"7247247","9.791","0.0015","6.3116","0.001","28.379","0.004","90","","93.082","0.004","90","","1751.2","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 Cu N4 O6 -","- C20 H14 Cu N4 O6 -","- C80 H56 Cu4 N16 O24 -","4","1","","Li, Wen-Ze; Li, Jing; Zhao, Hong-Tian; Zhang, Xiao-Sa; Liu, Yu; Liu, Zhi-Tong; Fu, Hong-Xin; Luan, Jian","Fabrication of two 2D Cu-based coordination polymers via a secondary ligand adjustment and a derived Cu/Cu2O heterojunction for an enhanced dye removal capacity","CrystEngComm","2023","25","37","5351","5361","10.1039/D3CE00684K","","","0.71073","MoKα","","0.1349","0.0608","","","0.0992","0.1214","","","","","","1","","","","has coordinates","286726","2023-10-06","00:02:56",""
"7247248","8.2596","0.0007","11.1219","0.0009","11.4922","0.0009","90","","110.896","0.003","90","","986.27","0.14","100","2","100","","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C10 H9 N3 O S -","- C10 H9 N3 O S -","- C40 H36 N12 O4 S4 -","4","2","","Maity, Rajib; Bankura, Abhijit; Das, Indrajit","Electrochemical cascade sequences for remote C7–H bond thiocyanation of quinoxalin-2(1H)-ones with ammonium thiocyanate","Green Chemistry","2023","25","19","7774","7781","10.1039/D3GC02153J","","x-ray","1.54178","CuKα","","0.0422","0.0408","","","0.1058","0.1073","","","","","","1.074","","","","has coordinates","286751","2023-10-06","00:18:56",""
"7247249","3.9964","0.0003","8.0048","0.0005","17.9743","0.0012","90.426","0.002","90.934","0.002","98.213","0.002","569","0.07","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C24 H22 N6 O2 S2 -","2","1","","Maity, Rajib; Bankura, Abhijit; Das, Indrajit","Electrochemical cascade sequences for remote C7–H bond thiocyanation of quinoxalin-2(1H)-ones with ammonium thiocyanate","Green Chemistry","2023","25","19","7774","7781","10.1039/D3GC02153J","","x-ray","1.54178","CuKα","","0.0351","0.035","","","0.0921","0.0921","","","","","","1.123","","","","has coordinates","286751","2023-10-06","00:18:56",""
"7247250","6.7604","0.0001","16.4043","0.0003","15.8328","0.0003","90","","95.946","0.002","90","","1746.41","0.05","180","0.1","180","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 B P -","- C20 H22 B P -","- C80 H88 B4 P4 -","4","1","","Shi, Wei; Zhong, Ping-Fu; Qi, Xu-Kuan; Yang, Chao; Guo, Lin; Xia, Wujiong","Photoinduced ligand-to-iron charge transfer enabled C(sp3)–H phosphorylation of hydrocarbons","Green Chemistry","2023","25","19","7817","7824","10.1039/D3GC02469E","","x-ray","1.54184","CuKα","","0.0582","0.0536","","","0.1468","0.1532","","","","","","1.03","","","","has coordinates","286750","2023-10-06","00:18:47",""
"7247251","6.6016","0.0001","17.7257","0.0004","14.5686","0.0003","90","","101.613","0.002","90","","1669.89","0.06","180.3","0.7","180.3","0.7","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 B P -","- C19 H24 B P -","- C76 H96 B4 P4 -","4","1","","Shi, Wei; Zhong, Ping-Fu; Qi, Xu-Kuan; Yang, Chao; Guo, Lin; Xia, Wujiong","Photoinduced ligand-to-iron charge transfer enabled C(sp3)–H phosphorylation of hydrocarbons","Green Chemistry","2023","25","19","7817","7824","10.1039/D3GC02469E","","x-ray","1.54184","CuKα","","0.0677","0.0625","","","0.1659","0.1725","","","","","","1.077","","","","has coordinates","286750","2023-10-06","00:18:48",""
"7247252","6.061","0.0005","7.6912","0.0005","21.2829","0.0015","90","","90","","90","","992.13","0.13","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H10 O S -","- C13 H10 O S -","- C52 H40 O4 S4 -","4","1","","Harrington, Kristen; Hogan, David T.; Sutherland, Todd C.; Stamplecoskie, Kevin","Photophysical investigation into room-temperature emission from xanthene derivatives.","Physical chemistry chemical physics : PCCP","2023","25","36","24829","24837","10.1039/d3cp02802j","","","1.54178","CuKα","","0.033","0.0324","","","0.0856","0.0859","","","","","","1.085","","","","has coordinates","286811","2023-10-06","00:51:27",""
"7247253","11.7675","0.0003","13.1064","0.0004","11.8764","0.0004","90","","99.112","0.003","90","","1808.58","0.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C40 H0.5 In N9 O3 -","- C40 H24 In N9 O3 -","- C80 H48 In2 N18 O6 -","2","0.5","","Dou, Chang-Xun; Tian, Xu-Ke; Chen, Ying-Jun; Yin, Pei-Pei; Guo, Jia-Hui; Yang, Xiao-Gang; Guo, Yu-Ming; Ma, Lu-Fang","Fast photocatalytic degradation of rhodamine B using indium-porphyrin based cationic MOF under visible light irradiation.","Physical chemistry chemical physics : PCCP","2023","25","37","25139","25145","10.1039/d3cp03255h","","x-ray","0.71073","MoKα","","0.0495","0.039","","","0.1062","0.1122","","","","","","1.122","","","","has coordinates","286810","2023-10-06","00:51:02",""
"7247254","18.711","0.005","20.882","0.006","21.381","0.006","110.987","0.009","114.356","0.009","99.657","0.009","6599","3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C192 Ag45 Br6 F24 Sb4 -","- C192 Ag45 Br6 F24 Sb4 -","- C192 Ag45 Br6 F24 Sb4 -","1","0.5","","Gao, Yu-Quan; Wu, Wei-Hong; Mao, Hui; Zhang, Ya-Ge; Zhan, Cai-Hong; Jiang, Zhan-Guo","Transformations of silver(i) chalcogenide clusters induced by halide ions as dopant components rather than surface active species","CrystEngComm","2023","25","35","4934","4938","10.1039/D3CE00716B","","","0.71073","MoKα","","0.1824","0.1302","","","0.3554","0.402","","","","","","1.432","","","","has coordinates","286740","2023-10-06","00:06:13",""
"7247255","19.854","0.004","20.442","0.004","20.492","0.004","102.885","0.006","116.443","0.005","108.691","0.006","6365","2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C192 H288 Ag45 Cl6 F24 Sb4 -","- C192 H288 Ag45 Cl6 F24 Sb4 -","- C192 H288 Ag45 Cl6 F24 Sb4 -","1","0.5","","Gao, Yu-Quan; Wu, Wei-Hong; Mao, Hui; Zhang, Ya-Ge; Zhan, Cai-Hong; Jiang, Zhan-Guo","Transformations of silver(i) chalcogenide clusters induced by halide ions as dopant components rather than surface active species","CrystEngComm","2023","25","35","4934","4938","10.1039/D3CE00716B","","","0.71073","MoKα","","0.2004","0.1303","","","0.3589","0.4174","","","","","","1.352","","","","has coordinates","286740","2023-10-06","00:06:13",""
"7247256","30.517","0.004","30.517","0.004","35.19","0.006","90","","90","","90","","32772","8","150","","150","","","","","","","","","5","P 4/m n c","-P 4 2n","128","","","","- C360 H540 Ag148 Br30 S26 -","- C360 H540 Ag148 Br30 S26 -","- C720 H1080 Ag296 Br60 S52 -","2","0.125","","Gao, Yu-Quan; Wu, Wei-Hong; Mao, Hui; Zhang, Ya-Ge; Zhan, Cai-Hong; Jiang, Zhan-Guo","Transformations of silver(i) chalcogenide clusters induced by halide ions as dopant components rather than surface active species","CrystEngComm","2023","25","35","4934","4938","10.1039/D3CE00716B","","","0.71073","MoKα","","0.1586","0.1233","","","0.3418","0.3783","","","","","","1.511","","","","has coordinates,has disorder","286740","2023-10-06","00:06:13",""
"7247257","9.2402","0.0004","10.7034","0.0005","22.982","0.0012","90","","97.437","0.004","90","","2253.83","0.19","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C46 H50 N4 O8 S4 -","- C46 H50 N4 O8 S4 -","- C92 H100 N8 O16 S8 -","2","0.5","","Packman, Lachlan; Mallo, Neil; Raynor, Aaron; Gao, Mile; Babazadeh, Mohammad; Jin, Hui; Huang, David M.; Burn, Paul L.; Gentle, Ian R.; Shaw, Paul E.","The impact of film deposition and annealing on the nanostructure and dielectric constant of organic semiconductor thin films.","Physical chemistry chemical physics : PCCP","2023","25","35","23867","23878","10.1039/d3cp03038e","","x-ray","0.71073","MoKα","","0.0778","0.0613","","","0.1474","0.1574","","","","","","1.037","","","","has coordinates","286813","2023-10-06","00:51:52",""
"7247266","22.261","0.003","14.2526","0.0016","7.7279","0.0011","90","","108.177","0.005","90","","2329.5","0.5","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H10 Ag N4 O3 -","- C7 H10 Ag N4 O3 -","- C56 H80 Ag8 N32 O24 -","8","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.1131","0.0893","","","0.2077","0.2186","","","","","","1.082","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247267","12.7466","0.001","17.0131","0.0012","6.1821","0.0004","90","","90","","90","","1340.65","0.17","100","2","100","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H20 N6 -","- C14 H20 N6 -","- C56 H80 N24 -","4","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.0831","0.0649","","","0.1183","0.125","","","","","","1.082","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247268","15.4247","0.0006","9.6024","0.0004","10.6881","0.0005","90","","98.793","0.002","90","","1564.45","0.12","100","2","100","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H14 F6 O6 S2 -","- C10 H14 F6 O6 S2 -","- C40 H56 F24 O24 S8 -","4","0.5","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.028","0.025","","","0.0627","0.0642","","","","","","1.094","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247269","6.6612","0.0006","7.092","0.0007","15.1212","0.0015","94.455","0.004","98.312","0.003","90.959","0.004","704.42","0.12","100","2","100","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H26 F6 N8 O6 S2 -","- C20 H26 F6 N8 O6 S2 -","- C20 H26 F6 N8 O6 S2 -","1","0.5","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","","0.71073","MoKα","","0.0558","0.047","","","0.1156","0.1208","","","","","","1.049","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247270","12.5507","0.0004","12.907","0.0005","9.9446","0.0004","90","","108.336","0.001","90","","1529.15","0.1","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H18 Ag N7 O3 -","- C12 H18 Ag N7 O3 -","- C48 H72 Ag4 N28 O12 -","4","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.0202","0.0172","","","0.0399","0.0415","","","","","","1.031","","","","has coordinates,has disorder","286739","2023-10-06","00:05:56",""
"7247271","8.4768","0.0017","10.883","0.002","13.588","0.003","90","","92.07","0.007","90","","1252.7","0.4","100","2","100","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 N6 -","- C12 H18 N6 -","- C48 H72 N24 -","4","1","","Nalaoh, Phattananawee; Jenkins, David M.","Di-triazole boat conformation leads to metal–organic nanotube while chair conformation leads to coordination polymer","CrystEngComm","2023","25","35","4929","4933","10.1039/D3CE00835E","","x-ray","0.71073","MoKα","","0.0464","0.0403","","","0.0953","0.0981","","","","","","1.136","","","","has coordinates","286739","2023-10-06","00:05:56",""
"7247272","27.7261","0.0008","27.7261","0.0008","28.5384","0.0008","90","","90","","90","","21938.5","1.1","173","2","173","2","","","","","","","","6","I 41/a c d :2","-I 4bd 2c","142","","","","- C33 H53 N7 O16 S4 Zn2 -","- C22 H14 N3 O8 S4 Zn2 -","- C352 H224 N48 O128 S64 Zn32 -","16","0.5","","Liang, Yu-Jie; Liu, Liu; Yao, Jun; Deng, Min; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo","Two flexible zinc–triazole–dicarboxylate frameworks: breathing behaviors for CO2 uptake and dye adsorption properties","CrystEngComm","2023","25","36","5174","5183","10.1039/D3CE00787A","","","1.54178","CuKα","","0.0953","0.0642","","","0.1815","0.2136","","","","","","1.059","","","","has coordinates,has disorder","286730","2023-10-06","00:04:24",""
"7247273","13.3634","0.0004","13.3634","0.0004","30.7634","0.0009","90","","90","","90","","5493.7","0.3","299","2","299","2","","","","","","","","6","P 4/n c c :2","-P 4a 2ac","130","","","","- C17 H21 N7 O7 S2 Zn2 -","- C14 H10 N6 O4 S2 Zn2 -","- C112 H80 N48 O32 S16 Zn16 -","8","0.5","","Liang, Yu-Jie; Liu, Liu; Yao, Jun; Deng, Min; Xu, Quan-Qing; Zhu, Ai-Xin; Huang, Bo","Two flexible zinc–triazole–dicarboxylate frameworks: breathing behaviors for CO2 uptake and dye adsorption properties","CrystEngComm","2023","25","36","5174","5183","10.1039/D3CE00787A","","","1.54178","CuKα","","0.0412","0.0399","","","0.121","0.1221","","","","","","1.081","","","","has coordinates,has disorder","286730","2023-10-06","00:04:24",""
"7247275","19.06366","0.0001","9.17342","0.00006","24.46359","0.00014","90","","96.298","0.0005","90","","4252.35","0.04","100.01","0.1","100.01","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Cu F3 N6 O3 P2 S -","- C46 H36 Cu F3 N6 O3 P2 S -","- C184 H144 Cu4 F12 N24 O12 P8 S4 -","4","1","","Sun, Zhen-Zhou; Hu, Fu-Zhen; Gao, Cheng-Jie; Mou, Wen-Long; Wang, Guo; Zhu, Ning; Pan, Xun; Li, Zhong-Feng; Han, Hong-Liang; Fu, Hongbing; Xin, Xiu-Lan; Dai, Lixiong; Jin, Qiong-Hua; Qiu, Qi-Ming","One-dimensional infinite chain Ag(i) complex with high quantum yield and TADF property: prepared by metal ion adjustment","CrystEngComm","2023","25","38","5405","5412","10.1039/D3CE00764B","","x-ray","1.54184","CuKα","","0.0326","0.0309","","","0.0814","0.0825","","","","","","1.048","","","","has coordinates","286746","2023-10-06","00:08:16",""
"7247276","13.589","0.003","18.55","0.004","24.627","0.005","80.807","0.003","89.307","0.003","89.793","0.005","6128","2","118","2","118","2","","","","","","","","8","P -1","-P 1","2","","","","- C57 H44 Ag2 F6 N6 O6 P2 S2 -","- C57 H44 Ag2 F6 N6 O6 P2 S2 -","- C228 H176 Ag8 F24 N24 O24 P8 S8 -","4","2","","Sun, Zhen-Zhou; Hu, Fu-Zhen; Gao, Cheng-Jie; Mou, Wen-Long; Wang, Guo; Zhu, Ning; Pan, Xun; Li, Zhong-Feng; Han, Hong-Liang; Fu, Hongbing; Xin, Xiu-Lan; Dai, Lixiong; Jin, Qiong-Hua; Qiu, Qi-Ming","One-dimensional infinite chain Ag(i) complex with high quantum yield and TADF property: prepared by metal ion adjustment","CrystEngComm","2023","25","38","5405","5412","10.1039/D3CE00764B","","","0.71073","MoKα","","0.087","0.0578","","","0.1248","0.1429","","","","","","1.039","","","","has coordinates","286746","2023-10-06","00:08:16",""
"7247277","13.9056","0.0002","22.9786","0.0002","14.7403","0.0002","90","","116.689","0.002","90","","4208.17","0.12","172.97","0.1","172.97","0.1","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","","","- C46 H36 Ag F3 N6 O3 P2 S -","- C46 H36 Ag F3 N6 O3 P2 S -","- C184 H144 Ag4 F12 N24 O12 P8 S4 -","4","1","","Sun, Zhen-Zhou; Hu, Fu-Zhen; Gao, Cheng-Jie; Mou, Wen-Long; Wang, Guo; Zhu, Ning; Pan, Xun; Li, Zhong-Feng; Han, Hong-Liang; Fu, Hongbing; Xin, Xiu-Lan; Dai, Lixiong; Jin, Qiong-Hua; Qiu, Qi-Ming","One-dimensional infinite chain Ag(i) complex with high quantum yield and TADF property: prepared by metal ion adjustment","CrystEngComm","2023","25","38","5405","5412","10.1039/D3CE00764B","","x-ray","1.54184","CuKα","","0.0737","0.0687","","","0.1864","0.1911","","","","","","1.075","","","","has coordinates,has disorder","286746","2023-10-06","00:08:16",""
"7247278","3.889","0.002","13.249","0.008","14.043","0.009","90","","91.986","0.009","90","","723.1","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C28 H28 B4 O12 -","4","1","","Li, Guoyan; Yang, Xiaofeng; Miao, Jinling; Cui, Yu; Sun, Guoxin; Li, Yexin","Substitution position regulating the excitation-dependent fluorescence–phosphorescence emission of formylphenylboronic acids for single-component white light and anticounterfeiting","CrystEngComm","2023","25","38","5479","5485","10.1039/D3CE00725A","","","0.71073","MoKα","","0.0685","0.0562","","","0.1779","0.1929","","","","","","1.154","","","","has coordinates","286745","2023-10-06","00:07:56",""
"7247279","22.75","0.007","3.8166","0.0011","17.211","0.005","90","","101.691","0.004","90","","1463.4","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C7 H7 B O3 -","- C7 H7 B O3 -","- C56 H56 B8 O24 -","8","1","","Li, Guoyan; Yang, Xiaofeng; Miao, Jinling; Cui, Yu; Sun, Guoxin; Li, Yexin","Substitution position regulating the excitation-dependent fluorescence–phosphorescence emission of formylphenylboronic acids for single-component white light and anticounterfeiting","CrystEngComm","2023","25","38","5479","5485","10.1039/D3CE00725A","","","0.71073","MoKα","","0.0585","0.0439","","","0.1252","0.1377","","","","","","1.009","","","","has coordinates","286745","2023-10-06","00:07:56",""
"7247280","18.046","0.0012","8.3234","0.0005","18.3738","0.0012","90","","118.457","0.003","90","","2426.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N2 Se2 -","- C12 H12 N2 Se2 -","- C96 H96 N16 Se16 -","8","2","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0694","0.0373","","","0.0609","0.0669","","","","","","0.977","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247281","11.563","0.006","17.139","0.008","4.8436","0.0019","90","","90","","90","","959.9","0.8","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C8 H4 N2 Se2 -","- C8 H4 N2 Se2 -","- C32 H16 N8 Se8 -","4","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.1206","0.0688","","","0.1798","0.2156","","","","","","1.049","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247282","9.117","0.0012","4.0552","0.0005","11.8113","0.0013","90","","95.91","0.005","90","","434.36","0.09","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N2 Se2 -","- C8 H4 N2 Se2 -","- C16 H8 N4 Se4 -","2","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0214","0.0184","","","0.0422","0.0435","","","","","","1.114","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247283","11.2833","0.0019","18.088","0.003","4.056","0.0007","90","","90","","90","","827.8","0.2","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C6 H2 N2 S Se2 -","- C6 H2 N2 S Se2 -","- C24 H8 N8 S4 Se8 -","4","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0194","0.0182","","","0.0449","0.0453","","","","","","1.095","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247284","7.4494","0.0015","9.201","0.002","12.306","0.003","74.58","0.008","89.306","0.007","88.669","0.007","812.9","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H23 N7 Se4 -","- C34 H23 N7 Se4 -","- C34 H23 N7 Se4 -","1","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.0361","0.032","","","0.0759","0.0783","","","","","","1.136","","","","has coordinates,has disorder","286729","2023-10-06","00:03:34",""
"7247285","8.8342","0.0015","14.079","0.003","7.6447","0.0014","90","","110.592","0.007","90","","890.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H14 N4 Se2 -","- C20 H14 N4 Se2 -","- C40 H28 N8 Se4 -","2","0.5","","Alfuth, Jan; Jeannin, Olivier; Fourmigué, Marc","Chalcogen bonding interactions in a series of aromatic selenocyanates","CrystEngComm","2023","25","37","5316","5323","10.1039/D3CE00745F","","x-ray","0.71073","MoKα","","0.021","0.0194","","","0.0498","0.0507","","","","","","1.095","","","","has coordinates","286729","2023-10-06","00:03:34",""
"7247286","8.3175","0.0007","9.85","0.0005","7.6668","0.0005","90","","101.728","0.007","90","","615.01","0.07","140","0.1","140","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl4 I N -","- C7 H10 Cl4 I N -","- C14 H20 Cl8 I2 N2 -","2","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","x-ray","0.71073","MoKα","","0.0557","0.0392","","","0.0905","0.1035","","","","","","1.045","","","","has coordinates,has disorder","286724","2023-10-06","00:02:38",""
"7247287","4.3707","0.0003","11.8303","0.0009","11.8442","0.001","90","","92.985","0.003","90","","611.59","0.08","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C7 H10 Cl4 I N -","- C7 H10 Cl4 I N -","- C14 H20 Cl8 I2 N2 -","2","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0242","0.0191","","","0.0415","0.0432","","","","","","1.04","","","","has coordinates,has disorder","286724","2023-10-06","00:02:38",""
"7247288","7.4887","0.0005","7.6756","0.0005","8.0494","0.0005","93.199","0.002","110.363","0.002","95.058","0.003","430.22","0.05","150","2","150","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H14 Cl5 I N2 -","- C12 H14 Cl5 I N2 -","- C12 H14 Cl5 I N2 -","1","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0293","0.0282","","","0.0619","0.0625","","","","","","1.079","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247289","17.4476","0.0006","9.9715","0.0004","7.8504","0.0003","90","","102.6","0.001","90","","1332.91","0.09","150","2","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C8 H12 Cl4 I N -","- C8 H12 Cl4 I N -","- C32 H48 Cl16 I4 N4 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.022","0.0166","","","0.0351","0.0365","","","","","","1.058","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247290","16.4343","0.0005","16.4343","0.0005","11.4451","0.0004","90","","90","","120","","2677.03","0.15","140","0.1","140","0.1","","","","","","","","5","P 32","P 32","145","","","","- C4 H12 Cl4 I N -","- C4 H12 Cl4 I N -","- C36 H108 Cl36 I9 N9 -","9","3","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0399","0.0353","","","0.0614","0.0643","","","","","","1.027","","","","has coordinates,has disorder","286724","2023-10-06","00:02:38",""
"7247291","8.4156","0.0004","16.0769","0.0006","10.9381","0.0004","90","","103.705","0.004","90","","1437.75","0.1","140","0.1","140","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 Cl4 I N -","- C9 H14 Cl4 I N -","- C36 H56 Cl16 I4 N4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","x-ray","0.71073","MoKα","","0.0366","0.0281","","","0.043","0.0468","","","","","","1.042","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247292","11.5876","0.0008","11.5876","0.0008","16.4371","0.0015","90","","90","","90","","2207.1","0.3","150","2","150","","","","","","","","","5","P 42 b c","P 4c -2ab","106","","","","- C12 H14 Cl8 I2 N2 -","- C12 H14 Cl8 I2 N2 -","- C48 H56 Cl32 I8 N8 -","4","0.5","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0398","0.03","","","0.0525","0.057","","","","","","1.027","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247293","11.3598","0.0015","8.5116","0.0011","15.14","0.002","90","","110.486","0.004","90","","1371.3","0.3","150","2","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 Cl4 I N -","- C8 H12 Cl4 I N -","- C32 H48 Cl16 I4 N4 -","4","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.0517","0.0406","","","0.0966","0.1035","","","","","","1.031","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247294","8.2044","0.0002","9.6553","0.0003","8.2874","0.0002","90","","105.887","0.001","90","","631.42","0.03","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H7 Cl5 I N -","- C6 H7 Cl5 I N -","- C12 H14 Cl10 I2 N2 -","2","1","","Korobeynikov, Nikita A.; Usoltsev, Andrey N.; Sokolov, Maxim N.; Novikov, Alexander S.; Sukhikh, Taisiya S.; Adonin, Sergey A.","Halogen bonding in chloroiodates(iii)","CrystEngComm","2023","25","37","5233","5237","10.1039/D3CE00400G","","","0.71073","MoKα","","0.015","0.0145","","","0.0336","0.0338","","","","","","1.053","","","","has coordinates","286724","2023-10-06","00:02:38",""
"7247295","5.8474","0.0004","9.4994","0.0005","11.3086","0.0006","107.71","0.004","98.149","0.004","105.204","0.004","560.43","0.06","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H13 Br O3 -","- C11 H13 Br O3 -","- C22 H26 Br2 O6 -","2","1","","Cioc, Răzvan C; Harsevoort, Eva; Lutz, Martin; Bruijnincx, Pieter C. A.","Efficient synthesis of fully renewable, furfural-derived building blocks <i>via</i> formal Diels-Alder cycloaddition of atypical addends.","Green chemistry : an international journal and green chemistry resource : GC","2023","25","23","9689","9694","10.1039/d3gc02357e","","","0.71073","MoKα","","0.0276","0.024","","","0.061","0.0622","","","","","","1.064","","","","has coordinates","288824","2024-01-06","08:25:16",""
"7247296","10.0582","0.0005","10.1124","0.0006","7.03","0.0003","90","","90.351","0.003","90","","715.03","0.06","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 O3 -","- C8 H10 O3 -","- C32 H40 O12 -","4","1","","Cioc, Răzvan C; Harsevoort, Eva; Lutz, Martin; Bruijnincx, Pieter C. A.","Efficient synthesis of fully renewable, furfural-derived building blocks <i>via</i> formal Diels-Alder cycloaddition of atypical addends.","Green chemistry : an international journal and green chemistry resource : GC","2023","25","23","9689","9694","10.1039/d3gc02357e","","","0.71073","MoKα","","0.0427","0.0351","","","0.0933","0.0981","","","","","","1.064","","","","has coordinates","288824","2024-01-06","08:25:18",""
"7247297","13.552","0.0014","10.2862","0.001","23.234","0.003","90","","95.963","0.01","90","","3221.3","0.6","292.99","0.1","292.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H33 N O5 -","- C40 H33 N O5 -","- C160 H132 N4 O20 -","4","1","","Luo, Jian; Zhong, Ai-Qing; Qiu, Jia-Hao; Liu, Xiong-Wei; Tian, You-Ping; Zhang, Bao-Hua; Chen, Guo-Shu; Shu, Wei; Liu, Yun-Lin","Green and effective synthesis of multisubstituted α-pyrones via K2CO3 catalyzed formal insertion of ketenimines into C(CO)–C bonds of 1,3-diketones","Green Chemistry","2023","25","20","8057","8067","10.1039/D3GC02073H","","x-ray","0.71073","MoKα","","0.1788","0.0724","","","0.1445","0.1931","","","","","","1.024","","","","has coordinates","287352","2023-11-06","07:42:26",""
"7247298","10.4332","0.0005","10.0121","0.0004","27.9684","0.0013","90","","98.05","0.004","90","","2892.7","0.2","150","0.1","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 Cl N O6 -","- C35 H30 Cl N O6 -","- C140 H120 Cl4 N4 O24 -","4","1","","Luo, Jian; Zhong, Ai-Qing; Qiu, Jia-Hao; Liu, Xiong-Wei; Tian, You-Ping; Zhang, Bao-Hua; Chen, Guo-Shu; Shu, Wei; Liu, Yun-Lin","Green and effective synthesis of multisubstituted α-pyrones via K2CO3 catalyzed formal insertion of ketenimines into C(CO)–C bonds of 1,3-diketones","Green Chemistry","2023","25","20","8057","8067","10.1039/D3GC02073H","","x-ray","1.54184","CuKα","","0.0732","0.053","","","0.1325","0.1478","","","","","","1.046","","","","has coordinates","287352","2023-11-06","07:42:29",""
"7247299","10.3653","0.0009","11.5399","0.0008","12.1483","0.0009","86.936","0.006","75.711","0.007","69.063","0.007","1314.21","0.19","170","0.1","170","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C36 H27 N O -","- C36 H27 N O -","- C72 H54 N2 O2 -","2","1","","Luo, Jian; Zhong, Ai-Qing; Qiu, Jia-Hao; Liu, Xiong-Wei; Tian, You-Ping; Zhang, Bao-Hua; Chen, Guo-Shu; Shu, Wei; Liu, Yun-Lin","Green and effective synthesis of multisubstituted α-pyrones via K2CO3 catalyzed formal insertion of ketenimines into C(CO)–C bonds of 1,3-diketones","Green Chemistry","2023","25","20","8057","8067","10.1039/D3GC02073H","","x-ray","1.54184","CuKα","","0.0652","0.0485","","","0.1269","0.1374","","","","","","1.164","","","","has coordinates","287352","2023-11-06","07:42:32",""
"7247300","5.8318","0.0004","11.6046","0.0008","26.5835","0.0015","86.525","0.005","87.942","0.005","87.181","0.005","1792.6","0.2","170","0.1","170","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O -","- C23 H21 N O -","- C92 H84 N4 O4 -","4","2","","Luo, Jian; Zhong, Ai-Qing; Qiu, Jia-Hao; Liu, Xiong-Wei; Tian, You-Ping; Zhang, Bao-Hua; Chen, Guo-Shu; Shu, Wei; Liu, Yun-Lin","Green and effective synthesis of multisubstituted α-pyrones via K2CO3 catalyzed formal insertion of ketenimines into C(CO)–C bonds of 1,3-diketones","Green Chemistry","2023","25","20","8057","8067","10.1039/D3GC02073H","","x-ray","1.54184","CuKα","","0.0868","0.0614","","","0.172","0.1892","","","","","","1.097","","","","has coordinates","287352","2023-11-06","07:42:38",""
"7247301","11.0361","0.0005","14.2348","0.0005","16.7656","0.0006","79.529","0.003","88.302","0.003","75.05","0.004","2501.88","0.18","150","0.1","150","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C29 H27 N O5 -","- C29 H27 N O5 -","- C116 H108 N4 O20 -","4","2","","Luo, Jian; Zhong, Ai-Qing; Qiu, Jia-Hao; Liu, Xiong-Wei; Tian, You-Ping; Zhang, Bao-Hua; Chen, Guo-Shu; Shu, Wei; Liu, Yun-Lin","Green and effective synthesis of multisubstituted α-pyrones via K2CO3 catalyzed formal insertion of ketenimines into C(CO)–C bonds of 1,3-diketones","Green Chemistry","2023","25","20","8057","8067","10.1039/D3GC02073H","","x-ray","0.71073","MoKα","","0.0963","0.0603","","","0.1368","0.1608","","","","","","1.023","","","","has coordinates","287352","2023-11-06","07:42:51",""
"7247303","20.1166","0.0014","10.6178","0.0007","16.0756","0.0011","90","","108.39","0.0012","90","","3258.3","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29.2 H27.6 O14.6 Zn3 -","- C29.2 H27.6 O14.6 Zn3 -","- C116.8 H110.4 O58.4 Zn12 -","4","0.5","","Toledo-Jaldín, Helen Paola; Pinzón-Vanegas, Cristian; León-Gómez, Juan Pablo; Blanco Flores, Alien; Martínez-Otero, Diego; Reyes Domínguez, Iván A.; Canseco-González, Daniel; Rosales-Vázquez, Luis D.; Salomón-Flores, María K.; Dorazco-González, Alejandro","Sensitive luminescent chemosensing of fluoride based on Eu-doped Zn-LMOF in aqueous media: structural and spectroscopic studies","CrystEngComm","2023","25","26","3766","3776","10.1039/D3CE00434A","","","0.71073","MoKα","","0.0488","0.0456","","","0.123","0.1257","","","","","","1.068","","","","has coordinates,has disorder","285984","2023-09-04","09:35:59",""
"7247304","15.3926","0.0004","54.654","0.0013","16.2237","0.0004","90","","90","","90","","13648.5","0.6","296","2","296","2","","","","","","","","5","C c c a :2","-C 2a 2ac","68","","","","- C34 H37 Co N4 O8.5 -","- C34 H34 Co N4 O8.5 -","- C544 H544 Co16 N64 O136 -","16","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0903","0.0469","","","0.1148","0.1388","","","","","","1.009","","","","has coordinates,has disorder","287340","2023-11-06","07:25:50",""
"7247305","14.3467","0.0003","24.9926","0.0004","17.2868","0.0003","90","","101.204","0.001","90","","6080.25","0.19","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57 H60 Co2 N7 O15 -","- C57 H63 Co2 N7 O15 -","- C228 H252 Co8 N28 O60 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1547","0.0758","","","0.2027","0.2461","","","","","","1.015","","","","has coordinates,has disorder","287340","2023-11-06","07:25:53",""
"7247306","27.658","0.0009","11.2065","0.0004","24.7275","0.0008","90","","114.988","0.0016","90","","6946.9","0.4","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C34 H37 Co N4 O9.5 S -","- C34 H37 Co N4 O9.5 S -","- C272 H296 Co8 N32 O76 S8 -","8","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0531","0.0357","","","0.1066","0.1222","","","","","","1.043","","","","has coordinates","287340","2023-11-06","07:25:56",""
"7247307","12.7831","0.0007","14.0167","0.001","13.2901","0.001","90","","93.441","0.003","90","","2377","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Co N2 O6 -","- C25 H25 Co N2 O6 -","- C100 H100 Co4 N8 O24 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1117","0.0512","","","0.0877","0.1023","","","","","","1.023","","","","has coordinates","287340","2023-11-06","07:26:06",""
"7247308","14.1784","0.0004","28.3482","0.0007","11.4749","0.0003","90","","103.114","0.0012","90","","4491.8","0.2","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 Co N4 O11 S -","- C38 H30 Co N4 O11 S -","- C152 H120 Co4 N16 O44 S4 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1553","0.061","","","0.1208","0.1438","","","","","","1.009","","","","has coordinates","287340","2023-11-06","07:26:06",""
"7247309","11.8533","0.0002","14.3536","0.0003","18.8237","0.0004","90","","94.5365","0.0012","90","","3192.58","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 Co N4 O8 -","- C31 H32 Co N4 O8 -","- C124 H128 Co4 N16 O32 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1117","0.0604","","","0.1471","0.1689","","","","","","1.03","","","","has coordinates","287340","2023-11-06","07:26:09",""
"7247310","21.6886","0.001","12.8559","0.0007","20.7441","0.0011","90","","103.494","0.003","90","","5624.3","0.5","299","2","299","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H25 Co N2 O9 S -","- C24 H21 Co N2 O9 S -","- C192 H168 Co8 N16 O72 S8 -","8","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.1104","0.0784","","","0.2166","0.2383","","","","","","1.082","","","","has coordinates,has disorder","287340","2023-11-06","07:26:18",""
"7247311","11.3937","0.0003","22.6845","0.0005","13.7311","0.0003","90","","93.2983","0.0012","90","","3543.07","0.14","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H36 Co N4 O11 -","- C39 H36 Co N4 O11 -","- C156 H144 Co4 N16 O44 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0659","0.0593","","","0.1794","0.1848","","","","","","1.036","","","","has coordinates","287340","2023-11-06","07:26:21",""
"7247312","12.8615","0.0004","13.3572","0.0004","13.9703","0.0004","71.1164","0.0014","76.1766","0.0014","88.4604","0.0015","2201.74","0.12","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H28 Co N4 O9 -","- C38 H28 Co N4 O9 -","- C76 H56 Co2 N8 O18 -","2","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0587","0.038","","","0.0919","0.0987","","","","","","1.058","","","","has coordinates","287340","2023-11-06","07:26:31",""
"7247313","21.402","0.005","7.777","0.0017","23.478","0.005","90","","90","","90","","3907.8","1.5","296","2","296","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C41 H30 Co F6 N4 O9 -","- C41 H30 Co F6 N4 O9 -","- C164 H120 Co4 F24 N16 O36 -","4","1","","Huang, Wei-Chun; Chen, Wei-Hao; Chen, Chia-Ling; Liao, Tsung-Te; Chen, Yi-Wun; Chen, Jhy-Der","Formation of entangled Co(ii) coordination polymers based on bis-pyridyl-bis-amide and angular dicarboxylate ligands: a structural comparison","CrystEngComm","2023","25","39","5575","5587","10.1039/D3CE00803G","","","0.71073","MoKα","","0.0993","0.0672","","","0.1627","0.1807","","","","","","1.05","","","","has coordinates","287340","2023-11-06","07:26:34",""
"7247314","9.4393","0.001","11.7938","0.0012","12.8424","0.0012","75.714","0.003","89.665","0.003","77.614","0.003","1351.5","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-tris(4-chloro-phenoxymethyl)mesitylene","","- C30 H27 Cl3 O3 -","- C30 H27 Cl3 O3 -","- C60 H54 Cl6 O6 -","2","1","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1039","0.0731","","","0.159","0.1749","","","","","","1.087","","","","has coordinates","287343","2023-11-06","07:27:40",""
"7247315","9.645","0.003","12.616","0.004","14.168","0.005","106.195","0.01","93.337","0.01","93.16","0.009","1648.2","0.9","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-tris(4-iodo-phenoxymethyl)mesitylene","","- C30 H27 I3 O3 -","- C30 H27 I3 O3 -","- C60 H54 I6 O6 -","2","1","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1102","0.0798","","","0.1896","0.2059","","","","","","1.067","","","","has coordinates,has disorder","287343","2023-11-06","07:27:40",""
"7247316","30.916","0.01","8.682","0.003","25.527","0.008","90","","119.415","0.011","90","","5968","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","1,3,5-tris(4-cyano-phenoxymethyl)mesitylene","","- C33 H27 N3 O3 -","- C33 H27 N3 O3 -","- C264 H216 N24 O24 -","8","1","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1527","0.0999","","","0.2278","0.2567","","","","","","1.095","","","","has coordinates,has disorder","287343","2023-11-06","07:27:40",""
"7247317","9.4811","0.0015","12.591","0.002","13.809","0.002","107.591","0.005","95.204","0.005","91.591","0.005","1562.3","0.4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","1,3,5-tris(4-bromo-phenoxymethyl)mesitylene","","- C63 H60 Br6 O7 -","- C63 H60 Br6 O7 -","- C63 H60 Br6 O7 -","1","0.5","","Dutta, Dipjyoti; Gogoi, Anamika; Dutta, Rupjyoti; Harmalkar, Sarvesh S.; Lama, Prem; Dey, Sandeep Kumar","C–H hydrogen bond and halogen bond directed self-assembly of ethereal podands and C–X⋯F−/HF2− halogen bonding in solution","CrystEngComm","2023","25","40","5650","5659","10.1039/D3CE00599B","","","0.71073","MoKα","","0.1257","0.0839","","","0.2442","0.2816","","","","","","1.044","","","","has coordinates","287343","2023-11-06","07:27:40",""
"7247326","11.0587","0.0004","11.8069","0.0005","14.601","0.0006","78.679","0.001","76.705","0.001","77.663","0.001","1790.65","0.12","100","2","99.99","","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 F3 N9 O4 S -","- C37 H36 F3 N9 O4 S -","- C74 H72 F6 N18 O8 S2 -","2","1","","Rai, Sunil K.; Gunnam, Anilkumar; Roy, Debopriya; Rajput, Raveena; Kulkarni, Kiran; Nangia, Ashwini K.","Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration","CrystEngComm","2023","25","39","5565","5574","10.1039/D3CE00773A","","","0.71073","MoKα","","0.0688","0.0603","","","0.1647","0.1766","","","","","","1.085","","","","has coordinates","287342","2023-11-06","07:27:01",""
"7247327","9.3626","0.0003","18.0718","0.0008","19.7247","0.0009","90","","94.683","0.001","90","","3326.3","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 F3 N9 O4 S -","- C34 H32 F3 N9 O4 S -","- C136 H128 F12 N36 O16 S4 -","4","1","","Rai, Sunil K.; Gunnam, Anilkumar; Roy, Debopriya; Rajput, Raveena; Kulkarni, Kiran; Nangia, Ashwini K.","Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration","CrystEngComm","2023","25","39","5565","5574","10.1039/D3CE00773A","","","0.71073","MoKα","","0.0678","0.0507","","","0.1169","0.1262","","","","","","1.048","","","","has coordinates","287342","2023-11-06","07:27:05",""
"7247328","10.125","0.011","18.32","0.02","20.77","0.02","68.4","0.04","89.7","0.04","81.04","0.04","3533","7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H36 F3 N9 O4 S -","- C37 H36 F3 N9 O4 S -","- C148 H144 F12 N36 O16 S4 -","4","2","","Rai, Sunil K.; Gunnam, Anilkumar; Roy, Debopriya; Rajput, Raveena; Kulkarni, Kiran; Nangia, Ashwini K.","Cocrystallization of multi-kinase inhibitor pazopanib with fenamic acids: improving dissolution and inhibiting cell migration","CrystEngComm","2023","25","39","5565","5574","10.1039/D3CE00773A","","","0.71073","MoKα","","0.1159","0.1099","","","0.324","0.3363","","","","","","1.568","","","","has coordinates","287342","2023-11-06","07:27:15",""
"7247329","21.7912","0.0013","20.2706","0.0013","10.2341","0.0006","90","","102.939","0.002","90","","4405.8","0.5","120","2","120.02","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C33 H39 Mn3 N15 O13 -","- C33 H39 Mn3 N15 O13 -","- C132 H156 Mn12 N60 O52 -","4","0.5","","Zhong, Yun-Jing; Ouyang, Zhi-Jian; Kuang, Xiao-Man; Li, You-Hong; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Solvent effect on the structures of three manganese complexes based on azotetrazole-3-hydroxy-2-naphthoic acid: synthesis, structures, and magnetic and fluorescent properties","CrystEngComm","2023","25","39","5524","5532","10.1039/D3CE00678F","","","0.71073","MoKα","","0.0898","0.0546","","","0.1495","0.1674","","","","","","1.049","","","","has coordinates,has disorder","287341","2023-11-06","07:26:52",""
"7247330","10.7765","0.0009","13.3012","0.0011","11.2337","0.001","90","","98.472","0.003","90","","1592.7","0.2","100","2","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Mn2 N12 O10 -","- C28 H28 Mn2 N12 O10 -","- C56 H56 Mn4 N24 O20 -","2","0.5","","Zhong, Yun-Jing; Ouyang, Zhi-Jian; Kuang, Xiao-Man; Li, You-Hong; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Solvent effect on the structures of three manganese complexes based on azotetrazole-3-hydroxy-2-naphthoic acid: synthesis, structures, and magnetic and fluorescent properties","CrystEngComm","2023","25","39","5524","5532","10.1039/D3CE00678F","","","0.71073","MoKα","","0.056","0.0368","","","0.1207","0.1359","","","","","","1.026","","","","has coordinates","287341","2023-11-06","07:26:52",""
"7247331","10.6758","0.0013","12.4221","0.0015","19.041","0.002","82.315","0.001","79.293","0.002","72.475","0.001","2357.8","0.5","100","2","100.15","","","","","","","","","6","P -1","-P 1","2","","","","- C64 H93 Mn6 N24 O32.5 S8 -","- C64 H93 Mn6 N24 O32.5 S8 -","- C64 H93 Mn6 N24 O32.5 S8 -","1","0.5","","Zhong, Yun-Jing; Ouyang, Zhi-Jian; Kuang, Xiao-Man; Li, You-Hong; Chen, Wen-Bin; Yang, Meng; Dong, Wen","Solvent effect on the structures of three manganese complexes based on azotetrazole-3-hydroxy-2-naphthoic acid: synthesis, structures, and magnetic and fluorescent properties","CrystEngComm","2023","25","39","5524","5532","10.1039/D3CE00678F","","","0.71073","MoKα","","0.0944","0.0776","","","0.2045","0.2152","","","","","","1.018","","","","has coordinates,has disorder","287341","2023-11-06","07:26:52",""
"7247337","8.791","0.0004","18.1795","0.001","17.9329","0.001","90","","95.505","0.004","90","","2852.7","0.3","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 N O3 S -","- C36 H29 N O3 S -","- C144 H116 N4 O12 S4 -","4","1","","Mutra, Mohana Reddy; Chandana, T. L.; Wang, Yun-Jou; Wang, Jeh-Jeng","Green and rapid acid-catalyzed ynamide skeletal rearrangement and stereospecific functionalization with anisole derivatives","Green Chemistry","2023","25","20","8124","8133","10.1039/D3GC02460A","","x-ray","0.71073","MoKα","","0.122","0.0756","","","0.1917","0.2127","","","","","","1.064","","","","has coordinates","287356","2023-11-06","07:44:07",""
"7247338","18.4742","0.0008","5.9923","0.0002","19.2732","0.0009","90","","98.981","0.002","90","","2107.44","0.15","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 O2 -","- C15 H10 O2 -","- C120 H80 O16 -","8","1","","Ragupathi, Ayyakkannu; Charpe, Vaibhav Pramod; Hwu, Jih Ru; Hwang, Kuo Chu","Oxidative destruction of chlorinated persistent organic pollutants by hydroxyl radicals via ozone and UV light irradiation","Green Chemistry","2023","25","23","9695","9704","10.1039/D3GC02365F","","","0.71073","MoKα","","0.0495","0.0383","","","0.0945","0.1025","","","","","","1.076","","","","has coordinates","288823","2024-01-06","08:25:00",""
"7247341","10.7721","0.0003","13.5889","0.0004","13.8513","0.0005","86.809","0.003","74.723","0.003","72.872","0.003","1868.64","0.11","150","2","149.9","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C44 H35 Fe N Ni O P2 S2 -","- C44 H35 Fe N Ni O P2 S2 -","- C88 H70 Fe2 N2 Ni2 O2 P4 S4 -","2","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd.","Impact of substituent's position on the DSSC performances of new 1,1′-bis-(diphenylphosphino)ferrocene appended nickel(ii) methoxy cyanodithiolates","CrystEngComm","2023","25","40","5660","5672","10.1039/D3CE00621B","","x-ray","0.71073","MoKα","","0.0544","0.0401","","","0.0878","0.0944","","","","","","1.041","","","","has coordinates","287344","2023-11-06","07:27:49",""
"7247342","14.3705","0.0002","17.2455","0.0002","16.2961","0.0002","90","","101.34","0.0013","90","","3959.77","0.09","150","2","150","0.1","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C44 H35 Fe N Ni O P2 S2 -","- C44 H35 Fe N Ni O P2 S2 -","- C176 H140 Fe4 N4 Ni4 O4 P8 S8 -","4","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd.","Impact of substituent's position on the DSSC performances of new 1,1′-bis-(diphenylphosphino)ferrocene appended nickel(ii) methoxy cyanodithiolates","CrystEngComm","2023","25","40","5660","5672","10.1039/D3CE00621B","","x-ray","1.54184","CuKα","","0.0674","0.0593","","","0.1536","0.1593","","","","","","1.065","","","","has coordinates","287344","2023-11-06","07:27:50",""
"7247343","13.944","0.0004","14.063","0.0004","19.8997","0.0006","90","","104.471","0.003","90","","3778.4","0.2","150","2","149.9","0.5","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C89 H74 Fe2 N2 Ni2 O3 P4 S4 -","- C89 H74 Fe2 N2 Ni2 O3 P4 S4 -","- C178 H148 Fe4 N4 Ni4 O6 P8 S8 -","2","0.5","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Ashokkumar, Muthupandian; Kumar, Abhinav; Muddassir, Mohd.","Impact of substituent's position on the DSSC performances of new 1,1′-bis-(diphenylphosphino)ferrocene appended nickel(ii) methoxy cyanodithiolates","CrystEngComm","2023","25","40","5660","5672","10.1039/D3CE00621B","","x-ray","0.71073","MoKα","","0.0743","0.0495","","","0.095","0.1058","","","","","","1.022","","","","has coordinates,has disorder","287344","2023-11-06","07:27:50",""
"7247344","25.212","0.0009","11.5626","0.0006","11.6676","0.0006","90","","90.114","0.005","90","","3401.3","0.3","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 Cu N2 P S4 -","- C38 H26 Cu N2 P S4 -","- C152 H104 Cu4 N8 P4 S16 -","4","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.1501","0.0615","","","0.1092","0.1287","","","","","","0.946","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247345","24.9983","0.0007","11.6753","0.0003","11.664","0.0003","90","","90.396","0.001","90","","3404.2","0.16","294","2","294","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C38 H26 N2 Ni P S4 -","- C38 H26 N2 Ni P S4 -","- C152 H104 N8 Ni4 P4 S16 -","4","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0623","0.0456","","","0.1107","0.1198","","","","","","1.076","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247346","9.6337","0.0003","10.8969","0.0003","13.2465","0.0004","80.138","0.001","89.456","0.001","87.27","0.001","1368.48","0.07","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 N2 Ni P2 S4 -","- C62 H46 N2 Ni P2 S4 -","- C62 H46 N2 Ni P2 S4 -","1","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0482","0.0345","","","0.0834","0.0884","","","","","","1.042","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247347","7.7936","0.0004","15.7909","0.0009","14.0517","0.0008","90","","95.771","0.002","90","","1720.55","0.16","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C38 H26 Cu N2 P S4 -","- C38 H26 Cu N2 P S4 -","- C76 H52 Cu2 N4 P2 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.1085","0.0484","","","0.0682","0.078","","","","","","0.925","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247348","13.5065","0.0008","14.3303","0.0009","14.8428","0.001","86.334","0.002","77.455","0.002","70.668","0.002","2646.1","0.3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 N2 Ni P2 S4 -","- C62 H46 N2 Ni P2 S4 -","- C124 H92 N4 Ni2 P4 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.1732","0.0675","","","0.1232","0.1466","","","","","","0.934","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247349","11.2071","0.0004","12.4949","0.0005","20.7404","0.0008","84.392","0.001","80.941","0.001","76.747","0.001","2785.96","0.18","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C64 H49 N3 Ni P2 S4 -","- C64 H49 N3 Ni P2 S4 -","- C128 H98 N6 Ni2 P4 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0776","0.0504","","","0.1002","0.1099","","","","","","1.067","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247350","13.5644","0.0005","14.4462","0.0005","14.8839","0.0005","86.177","0.001","76.389","0.001","70.747","0.001","2675.92","0.16","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 Cu N2 P2 S4 -","- C62 H46 Cu N2 P2 S4 -","- C124 H92 Cu2 N4 P4 S8 -","2","1","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0878","0.0433","","","0.0886","0.0998","","","","","","1.016","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247351","9.6136","0.0004","10.9075","0.0005","13.3709","0.0006","79.764","0.001","89.324","0.001","87.292","0.001","1378.21","0.11","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C62 H46 Cu N2 P2 S4 -","- C62 H46 Cu N2 P2 S4 -","- C62 H46 Cu N2 P2 S4 -","1","0.5","","Costa, António G.; Lopes, Gonçalo; Ribeiro, Susana; Santos, Isabel C.; Simão, Dulce; Pereira, Laura C. J.; Le Breton, Nolwenn; Choua, Sylvie; Baudron, Stéphane A.; Almeida, Manuel; Rabaça, Sandra","Cyano benzene functionalised Ni and Cu bisdithiolene complexes","CrystEngComm","2023","25","37","5362","5371","10.1039/D3CE00782K","","","0.71073","MoKα","","0.0747","0.0449","","","0.0865","0.0987","","","","","","1.055","","","","has coordinates","286728","2023-10-06","00:03:24",""
"7247352","10.2545","0.0003","11.784","0.0004","18.9397","0.0006","90","","91.018","0.003","90","","2288.29","0.13","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H26 N2 O3 -","- C30 H26 N2 O3 -","- C120 H104 N8 O12 -","4","1","","Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng","Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light","Green Chemistry","2023","25","20","8074","8081","10.1039/D3GC02364H","","x-ray","0.71073","MoKα","","0.0646","0.0523","","","0.1389","0.1457","","","","","","1.054","","","","has coordinates","287355","2023-11-06","07:43:48",""
"7247353","16.0365","0.0003","8.141","0.0002","19.083","0.0005","90","","93.993","0.002","90","","2485.3","0.1","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 N2 O -","- C33 H28 N2 O -","- C132 H112 N8 O4 -","4","1","","Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng","Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light","Green Chemistry","2023","25","20","8074","8081","10.1039/D3GC02364H","","x-ray","0.71073","MoKα","","0.0438","0.0392","","","0.1021","0.1049","","","","","","1.069","","","","has coordinates","287355","2023-11-06","07:43:56",""
"7247354","18.5654","0.0004","11.0141","0.0002","23.246","0.0005","90","","104.797","0.002","90","","4595.73","0.17","113","2","113","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C58 H52 N4 O4 -","- C58 H52 N4 O4 -","- C232 H208 N16 O16 -","4","0.5","","Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng","Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light","Green Chemistry","2023","25","20","8074","8081","10.1039/D3GC02364H","","x-ray","0.71073","MoKα","","0.0498","0.0453","","","0.1069","0.1097","","","","","","1.046","","","","has coordinates","287355","2023-11-06","07:43:56",""
"7247355","18.9264","0.0003","10.15909","0.00017","12.951","0.0002","90","","100.384","0.0015","90","","2449.37","0.07","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 Br N2 O2 -","- C29 H27 Br N2 O2 -","- C116 H108 Br4 N8 O8 -","4","1","","Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng","Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light","Green Chemistry","2023","25","20","8074","8081","10.1039/D3GC02364H","","x-ray","0.71073","MoKα","","0.0372","0.0302","","","0.0672","0.0692","","","","","","1.036","","","","has coordinates","287355","2023-11-06","07:43:56",""
"7247356","11.9969","0.0006","12.1767","0.0006","18.3724","0.0011","90","","103.405","0.006","90","","2610.8","0.2","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 N2 O -","- C35 H32 N2 O -","- C140 H128 N8 O4 -","4","1","","Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng","Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light","Green Chemistry","2023","25","20","8074","8081","10.1039/D3GC02364H","","x-ray","0.71073","MoKα","","0.0842","0.059","","","0.1574","0.1723","","","","","","1.068","","","","has coordinates","287355","2023-11-06","07:43:56",""
"7247357","10.605","0.0003","11.8204","0.0003","17.9554","0.0005","90","","92.512","0.003","90","","2248.64","0.11","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C29 H26 N2 O2 -","- C29 H26 N2 O2 -","- C116 H104 N8 O8 -","4","1","","Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng","Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light","Green Chemistry","2023","25","20","8074","8081","10.1039/D3GC02364H","","x-ray","0.71073","MoKα","","0.0503","0.04","","","0.1011","0.1057","","","","","","1.082","","","","has coordinates","287355","2023-11-06","07:43:56",""
"7247358","9.1217","0.0002","17.3684","0.0004","23.9176","0.0006","90","","90","","90","","3789.25","0.15","113","2","113","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C11.76 H8.47 N0.94 O0.94 -","- C11.7647 H8.47059 N0.941176 O0.941176 -","- C200 H144 N16 O16 -","17","4.25","","Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng","Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light","Green Chemistry","2023","25","20","8074","8081","10.1039/D3GC02364H","","x-ray","0.71073","MoKα","","0.0674","0.0621","","","0.153","0.1582","","","","","","1.018","","","","has coordinates","287355","2023-11-06","07:43:56",""
"7247359","24.6112","0.0004","10.2554","0.0002","36.0411","0.0005","90","","99.385","0.002","90","","8974.9","0.3","113","2","113","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H26 N2 O -","- C29 H26 N2 O -","- C464 H416 N32 O16 -","16","2","","Gore, Babasaheb Sopan; Kuo, Chiao-Ying; Wang, Jeh-Jeng","Photocatalyst- and transition-metal-free syntheses of furan-fused dihydroazepines by visible light","Green Chemistry","2023","25","20","8074","8081","10.1039/D3GC02364H","","x-ray","0.71073","MoKα","","0.082","0.0689","","","0.1766","0.1844","","","","","","1.088","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7247360","9.3792","0.0004","9.3792","0.0004","22.4879","0.0009","90","","90","","120","","1713.21","0.12","100","","100","","","","","","","","","5","P 61","P 61","169","","","","- C10 H13 Cd N O5 -","- C10 H13 Cd N O5 -","- C60 H78 Cd6 N6 O30 -","6","1","","Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.","Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects","CrystEngComm","2023","25","38","5428","5435","10.1039/D3CE00784G","","","0.71073","MoKα","","0.0327","0.0284","","","0.0453","0.0463","","","","","","1.004","","","","has coordinates,has disorder","286747","2023-10-06","00:08:25",""
"7247361","9.3938","0.0003","9.3938","0.0003","22.5064","0.0008","90","","90","","120","","1719.96","0.1","100.02","","100.02","","","","","","","","","5","P 65","P 65","170","","","","- C10 H13 Cd N O5 -","- C10 H13 Cd N O5 -","- C60 H78 Cd6 N6 O30 -","6","1","","Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.","Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects","CrystEngComm","2023","25","38","5428","5435","10.1039/D3CE00784G","","","0.71073","MoKα","","0.0312","0.0277","","","0.0465","0.0474","","","","","","1.027","","","","has coordinates,has disorder","286747","2023-10-06","00:08:25",""
"7247362","9.5668","0.0003","23.3692","0.0006","17.0992","0.0003","90","","90","","90","","3822.84","0.17","150.01","0.1","150.15","","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C39 H39 Cd3 N3 O15 -","- C39 H39 Cd3 N3 O15 -","- C156 H156 Cd12 N12 O60 -","4","1","","Windsor, Hunter J.; Kepert, Cameron J.; Macreadie, Lauren K.","Spontaneous resolution of two chiral metal–organic frameworks through local geometric and lattice frustration effects","CrystEngComm","2023","25","38","5428","5435","10.1039/D3CE00784G","","x-ray","1.54184","CuKα","","0.0724","0.0517","","","0.1182","0.1266","","","","","","0.961","","","","has coordinates","286747","2023-10-06","00:08:25",""
"7247364","25.615","0.003","14.6148","0.0017","24.466","0.002","90","","113.576","0.004","90","","8394.5","1.6","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Dy N O59 P7 W12 -","- C32 H77 Dy N O59 P7 W12 -","- C128 H308 Dy4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.2048","0.1173","","","0.2661","0.311","","","","","","1.097","","","","has coordinates","287330","2023-11-06","07:19:35",""
"7247365","25.749","0.002","14.669","0.0013","24.645","0.003","90","","113.558","0.005","90","","8532.9","1.5","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Ho N O59 P7 W12 -","- C32 H77 Ho N O59 P7 W12 -","- C128 H308 Ho4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.155","0.0698","","","0.1308","0.1517","","","","","","1.07","","","","has coordinates","287330","2023-11-06","07:19:41",""
"7247366","25.235","0.003","14.4532","0.0016","24.186","0.003","90","","113.447","0.005","90","","8092.9","1.7","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 N O59 P7 Tm W12 -","- C32 H77 N O59 P7 Tm W12 -","- C128 H308 N4 O236 P28 Tm4 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1695","0.0886","","","0.198","0.2335","","","","","","1.077","","","","has coordinates","287330","2023-11-06","07:19:55",""
"7247367","25.633","0.002","14.6214","0.0011","24.546","0.002","90","","113.451","0.004","90","","8439.7","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 N O59 P7 W12 Yb -","- C32 H77 N O59 P7 W12 Yb -","- C128 H308 N4 O236 P28 W48 Yb4 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1408","0.0646","","","0.1169","0.1341","","","","","","1.08","","","","has coordinates","287330","2023-11-06","07:20:11",""
"7247368","25.703","0.002","14.6812","0.0013","24.6","0.002","90","","113.535","0.004","90","","8510.7","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Er N O59 P7 W12 -","- C32 H77 Er N O59 P7 W12 -","- C128 H308 Er4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1433","0.0655","","","0.1175","0.1329","","","","","","1.063","","","","has coordinates","287330","2023-11-06","07:20:26",""
"7247369","25.34","0.002","14.4644","0.0013","24.289","0.002","90","","113.49","0.005","90","","8164.8","1.2","298","2","298","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H77 Lu N O59 P7 W12 -","- C32 H77 Lu N O59 P7 W12 -","- C128 H308 Lu4 N4 O236 P28 W48 -","4","1","","Li, Ying-Yu; Jin, Guan-Yu; Wang, Zhi-Qiang; Hu, Cong; Wang, Xue-Dong; Liu, Jian-Ming; Liu, Min; Han, Hong-Liang; Li, Zhong-Feng; Jin, Qiong-Hua","Facile fabrication and characterization of rare earth complexes based on Keggin-type polyoxometalate with highly efficient activity for photocatalytic degradation of MO","CrystEngComm","2023","25","41","5851","5860","10.1039/D3CE00746D","","","0.71073","MoKα","","0.1369","0.0679","","","0.1305","0.1496","","","","","","1.018","","","","has coordinates","287330","2023-11-06","07:20:40",""
"7247370","19.7847","0.0006","10.1109","0.0003","35.7831","0.0012","90","","90.6793","0.0016","90","","7157.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H38 N2 O16 U2 -","- C30 H38 N2 O16 U2 -","- C240 H304 N16 O128 U16 -","8","2","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0534","0.0435","","","0.0891","0.0932","","","","","","1.123","","","","has coordinates,has disorder","287346","2023-11-06","07:28:11",""
"7247371","11.6695","0.0004","12.5806","0.0005","14.2442","0.0004","87.165","0.0013","88.3831","0.0012","84.6902","0.0015","2079.07","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H32 N2 O24 U4 -","- C34 H32 N2 O24 U4 -","- C68 H64 N4 O48 U8 -","2","1","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0229","0.0217","","","0.0521","0.0526","","","","","","1.102","","","","has coordinates","287346","2023-11-06","07:28:11",""
"7247372","9.7035","0.0006","9.714","0.0006","10.6933","0.0007","79.359","0.004","75.201","0.003","71.662","0.003","919.03","0.1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H24 N2 O16 U2 -","- C36 H24 N2 O16 U2 -","- C36 H24 N2 O16 U2 -","1","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0318","0.0298","","","0.0753","0.0769","","","","","","1.069","","","","has coordinates","287346","2023-11-06","07:28:11",""
"7247373","11.3984","0.0003","11.401","0.0004","21.9898","0.0009","88.8056","0.0015","79.8563","0.0013","60.8371","0.001","2449.37","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C72 H90 N8 O54 U5 -","- C72 H86 N8 O54 U5 -","- C72 H86 N8 O54 U5 -","1","0.5","","Kusumoto, Sotaro; Atoini, Youssef; Koide, Yoshihiro; Hayami, Shinya; Kim, Yang; Harrowfield, Jack; Thuéry, Pierre","Ligand competition on uranyl ion: further examples of zwitterionic vs. anionic carboxylate coordination","CrystEngComm","2023","25","40","5748","5758","10.1039/D3CE00845B","","","0.71073","MoKα","","0.0287","0.0245","","","0.0497","0.0515","","","","","","1.049","","","","has coordinates,has disorder","287346","2023-11-06","07:28:11",""
"7247374","7.0461","0.0007","7.5519","0.0006","9.8725","0.0009","96.563","0.006","102.071","0.006","108.791","0.005","476.88","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C16 H16 N8 O8 -","2","1","","Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.","A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate","CrystEngComm","2023","25","38","5413","5419","10.1039/D3CE00769C","","","1.54178","CuKα","","0.0407","0.0365","","","0.0976","0.1019","","","","","","1.067","","","","has coordinates","286749","2023-10-06","00:08:40",""
"7247375","23.936","0.002","5.1742","0.0005","7.7436","0.0007","90","","90","","90","","959.04","0.15","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C32 H32 N16 O16 -","4","1","","Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.","A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate","CrystEngComm","2023","25","38","5413","5419","10.1039/D3CE00769C","","","0.71073","MoKα","","0.0892","0.0345","","","0.0591","0.0693","","","","","","0.827","","","","has coordinates","286749","2023-10-06","00:08:41",""
"7247376","4.9852","0.0003","9.8017","0.0006","10.6338","0.0007","67.729","0.004","86.664","0.004","83.011","0.004","477.23","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H8 N4 O4 -","- C8 H8 N4 O4 -","- C16 H16 N8 O8 -","2","1","","Romanenko, Galina V.; Fokin, Sergey V.; Tolstikov, Svyatoslav E.; Letyagin, Gleb A.; Ovcharenko, Victor I.; Strizhenko, Kirill V.; Sheremetev, Aleksei B.","A co-crystal of heterobicyclic isomers as a product of the cyclocondensation reaction of 3,4-diaminofurazan with diethyl-2-oxosuccinate","CrystEngComm","2023","25","38","5413","5419","10.1039/D3CE00769C","","","1.54178","CuKα","","0.0614","0.0575","","","0.1578","0.1623","","","","","","1.094","","","","has coordinates,has disorder","286749","2023-10-06","00:08:41",""
"7247383","8.9531","0.0003","9.9751","0.0003","11.6032","0.0003","81.655","0.003","89.531","0.002","72.972","0.003","979.7","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 N O3 S -","- C23 H19 N O3 S -","- C46 H38 N2 O6 S2 -","2","1","","Xia, Wen; Yang, Yawen; Zhang, Xiaohui; Hu, Liangzhen; Xiong, Yan","Electrochemical synthesis of γ-keto sulfones containing a β-quaternary carbon center via 1,2-migration","Green Chemistry","2023","25","20","8273","8279","10.1039/D3GC02128A","","x-ray","1.54184","CuKα","","0.0455","0.038","","","0.1022","0.1098","","","","","","1.038","","","","has coordinates","287353","2023-11-06","07:43:13",""
"7247384","14.1955","0.0011","11.0133","0.0009","13.4688","0.001","90","","99.284","0.007","90","","2078.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O3 S -","- C25 H24 O3 S -","- C100 H96 O12 S4 -","4","1","","Xia, Wen; Yang, Yawen; Zhang, Xiaohui; Hu, Liangzhen; Xiong, Yan","Electrochemical synthesis of γ-keto sulfones containing a β-quaternary carbon center via 1,2-migration","Green Chemistry","2023","25","20","8273","8279","10.1039/D3GC02128A","","x-ray","0.71073","MoKα","","0.0788","0.0451","","","0.1043","0.1185","","","","","","1.023","","","","has coordinates","287353","2023-11-06","07:43:14",""
"7247393","10.1442","0.0005","10.9745","0.0006","17.6401","0.0009","86.956","0.003","83.873","0.003","88.591","0.002","1949.5","0.18","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C28 H42 Cu3 I5 N4 -","- C28 H42 Cu3 I5 N4 -","- C56 H84 Cu6 I10 N8 -","2","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.097","0.0817","","","0.2356","0.2512","","","","","","1.085","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247394","15.6992","0.0012","16.7737","0.0012","12.7912","0.0009","90","","107.856","0.004","90","","3206.1","0.4","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cu2 F2 I4 N4 -","- C26 H36 Cu2 F2 I4 N4 -","- C104 H144 Cu8 F8 I16 N16 -","4","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.1132","0.0413","","","0.049","0.0587","","","","","","0.784","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247395","16.3175","0.0004","16.9139","0.0005","12.8313","0.0003","90","","107.318","0.002","90","","3380.8","0.16","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Br2 Cu2 I4 N4 -","- C26 H36 Br2 Cu2 I4 N4 -","- C104 H144 Br8 Cu8 I16 N16 -","4","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.1205","0.0418","","","0.0627","0.0798","","","","","","0.674","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247396","7.9774","0.0011","8.6192","0.0013","14.768","0.002","81.554","0.004","85.562","0.004","84.147","0.004","997.2","0.2","296","2","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H36 Cu4 I8 N4 -","- C26 H36 Cu4 I8 N4 -","- C26 H36 Cu4 I8 N4 -","1","0.5","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.0584","0.0457","","","0.1185","0.1272","","","","","","1.04","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247397","16.048","0.0005","16.8794","0.0005","12.8451","0.0004","90","","107.618","0.002","90","","3316.29","0.18","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Cl2 Cu2 I4 N4 -","- C26 H36 Cl2 Cu2 I4 N4 -","- C104 H144 Cl8 Cu8 I16 N16 -","4","1","","Mensah, Abraham; Chen, Wei-Min; Kweku, Ennin Vendish; Liu, Peng-Lai; Shao, Juan-Juan; Wang, Fang-Ming; Chen, Li-Zhuang","Realizing luminescent from cuprous iodide complexes with high quantum yields by introducing planar aromatic groups and modification with halogen atoms on the ligand","CrystEngComm","2023","25","40","5722","5729","10.1039/D3CE00815K","","","0.71073","MoKα","","0.0543","0.0328","","","0.0616","0.0683","","","","","","1.01","","","","has coordinates","287349","2023-11-06","07:29:35",""
"7247398","9.82977","0.00006","22.43648","0.00014","13.79565","0.00009","90","","108.608","0.0007","90","","2883.51","0.03","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H12 O21 Yb5 -","- C24 H12 O21 Yb5 -","- C96 H48 O84 Yb20 -","4","1","","Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.","Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs","CrystEngComm","2023","25","40","5629","5640","10.1039/D3CE00865G","","x-ray","1.54184","CuKα","","0.0293","0.029","","","0.081","0.0813","","","","","","1.1","","","","has coordinates","287348","2023-11-06","07:28:49",""
"7247399","7.7973","0.0003","9.4775","0.0004","10.6851","0.0004","68.823","0.004","70.748","0.003","74.995","0.003","686.3","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 O9 Yb -","- C12 H12 O9 Yb -","- C24 H24 O18 Yb2 -","2","1","","Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.","Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs","CrystEngComm","2023","25","40","5629","5640","10.1039/D3CE00865G","","x-ray","0.71073","MoKα","","0.023","0.021","","","0.0471","0.0477","","","","","","1.05","","","","has coordinates,has disorder","287348","2023-11-06","07:29:02",""
"7247400","9.59605","0.0001","26.1011","0.0003","37.7873","0.0004","90","","90","","90","","9464.49","0.18","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C48 H36 O30 Yb4 -","- C48 H36 O30 Yb4 -","- C384 H288 O240 Yb32 -","8","1","","Chamberlain, Thomas W.; Yasmine,; Coulthard, Claire T.; Clarkson, Guy J.; Degirmenci, Volkan; Krisnandi, Yuni K.; Walton, Richard I.","Optimised synthesis and further structural diversity of ytterbium benzene-1,4-dicarboxylate MOFs","CrystEngComm","2023","25","40","5629","5640","10.1039/D3CE00865G","","x-ray","1.54184","CuKα","","0.0444","0.0344","","","0.0836","0.086","","","","","","1.076","","","","has coordinates","287348","2023-11-06","07:29:13",""
"7247401","13.989","0.003","7.878","0.0019","19.624","0.005","90","","101.67","0.007","90","","2118","0.9","273","2","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 N2 O8 S -","- C22 H20 N2 O8 S -","- C88 H80 N8 O32 S4 -","4","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.0968","0.0577","","","0.1309","0.1466","","","","","","1.039","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247402","8.3923","0.0012","8.5678","0.0012","12.9934","0.0018","79.779","0.003","75.701","0.003","78.675","0.003","879.5","0.2","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C19 H14 N2 O8 S -","- C19 H14 N2 O8 S -","- C38 H28 N4 O16 S2 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.0452","0.0397","","","0.1053","0.1097","","","","","","1.046","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247403","8.4052","0.0013","9.4814","0.0014","13.366","0.002","102.279","0.004","106.083","0.004","94.691","0.004","988.8","0.3","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 N3 O8 S -","- C18 H20 N3 O8 S -","- C36 H40 N6 O16 S2 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.0569","0.0463","","","0.1252","0.1327","","","","","","1.054","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247404","7.5645","0.0008","11.3096","0.0012","18.1129","0.0019","95.837","0.003","97.142","0.003","99.33","0.003","1505.4","0.3","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 N4 O13 S3 -","- C26 H28 N4 O13 S3 -","- C52 H56 N8 O26 S6 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.1536","0.0857","","","0.1953","0.2262","","","","","","0.986","","","","has coordinates,has disorder","286748","2023-10-06","00:08:34",""
"7247405","5.6484","0.0004","8.1619","0.0006","15.8411","0.0012","81.03","0.002","85.54","0.002","76.678","0.002","701.29","0.09","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H13 N2 O5 S -","- C14 H13 N2 O5 S -","- C28 H26 N4 O10 S2 -","2","1","","Yang, Fengyi; Chen, Jiali; Wang, Junwen; Liu, Jinjian","Five novel supramolecular assemblies constructed from the thiazolothiazole extended viologen moiety","CrystEngComm","2023","25","38","5461","5469","10.1039/D3CE00650F","","","0.71073","MoKα","","0.055","0.0414","","","0.1035","0.1105","","","","","","1.049","","","","has coordinates","286748","2023-10-06","00:08:34",""
"7247406","18.2829","0.0009","20.7","0.0009","10.448","0.0005","90","","102.276","0.005","90","","3863.7","0.3","99.9","0.6","99.9","0.6","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C16 H42 Mo8 N40 O22 -","- C16 H42 Mo8 N40 O22 -","- C32 H84 Mo16 N80 O44 -","2","0.25","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0475","0.0421","","","0.1234","0.127","","","","","","1.059","","","","has coordinates","287338","2023-11-06","07:24:59",""
"7247407","14.99","0.0002","31.7213","0.0004","46.9852","0.0006","90","","90","","90","","22341.6","0.5","100","0.1","100","0.1","","","","","","","","6","F d d d :2","-F 2uv 2vw","70","","","","- C16 H88 Mo16 N32 Na8 O77 -","- C16 H40 Mo16 N32 Na8 O53 -","- C128 H320 Mo128 N256 Na64 O424 -","8","0.25","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0461","0.0434","","","0.1331","0.1357","","","","","","1.048","","","","has coordinates","287338","2023-11-06","07:25:02",""
"7247408","11.8391","0.0003","11.9219","0.0002","25.7883","0.0006","98.134","0.002","97.651","0.002","91.857","0.002","3566.31","0.14","100","0.1","100","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H47 Mo12 N32 Na4 O42 -","- C16 H23 Mo12 N32 Na4 O30 -","- C32 H46 Mo24 N64 Na8 O60 -","2","1","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0903","0.0764","","","0.1987","0.2098","","","","","","1.037","","","","has coordinates","287338","2023-11-06","07:25:03",""
"7247409","11.1739","0.0002","12.6845","0.0003","27.1349","0.0006","83.745","0.002","81.094","0.002","84.215","0.002","3763.17","0.14","99.98","0.11","99.98","0.11","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 Mo6 N18 O16 -","- C36 H31 Mo6 N18 O16 -","- C72 H62 Mo12 N36 O32 -","2","1","","Lin, Rong-Yan; Dai, Ru-Dan; Dong, Xin; Zhou, Zhao-Hui","Hexnuclear, octanuclear, dodecanuclear, and hexadecnuclear polyoxomolybdenum(v)-based porous materials for selective adsorption of gases","CrystEngComm","2023","25","42","5942","5950","10.1039/D3CE00736G","","x-ray","1.54184","CuKα","","0.0892","0.0789","","","0.221","0.231","","","","","","1.051","","","","has coordinates","287338","2023-11-06","07:25:05",""
"7247410","18.5643","0.0012","15.172","0.0014","13.1988","0.0009","90","","104.662","0.003","90","","3596.5","0.5","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H22 N4 O11 -","- C14 H22 N4 O11 -","- C112 H176 N32 O88 -","8","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","","1.54178","CuKα","","0.0433","0.0424","","","0.1271","0.1282","","","","","","1.049","","","","has coordinates,has disorder","287345","2023-11-06","07:27:59",""
"7247411","7.9228","0.0002","6.33067","0.00019","29.1969","0.0006","90","","95.122","0.002","90","","1458.57","0.06","212.99","0.1","212.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 O7 -","- C14 H14 N4 O7 -","- C56 H56 N16 O28 -","4","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","x-ray","1.54184","CuKα","","0.0533","0.042","","","0.1084","0.1155","","","","","","1.043","","","","has coordinates","287345","2023-11-06","07:27:59",""
"7247412","27.746","0.004","6.6694","0.001","17.362","0.003","90","","92.936","0.006","90","","3208.6","0.9","173","","173","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N4 O9 -","- C14 H18 N4 O9 -","- C112 H144 N32 O72 -","8","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","","1.54178","CuKα","","0.0783","0.0515","","","0.1334","0.1518","","","","","","1.04","","","","has coordinates,has disorder","287345","2023-11-06","07:27:59",""
"7247413","8.8706","0.0005","9.1259","0.0005","11.3422","0.0004","80.367","0.004","69.633","0.004","67.65","0.005","795.46","0.08","213","0.1","213","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 N4 O5 -","- C16 H16 N4 O5 -","- C32 H32 N8 O10 -","2","1","","Yuan, Xin-Yue; Cheng, Yan; Liu, Jun; Sun, Qi-Lei; Xue, Fu-Min","Six novel multicomponent systems of theobromine with carboxylic acids: crystallographic structures, solubility determination and DFT calculations","CrystEngComm","2023","25","40","5682","5696","10.1039/D3CE00762F","","x-ray","1.54184","CuKα","","0.0458","0.0403","","","0.1092","0.1154","","","","","","1.04","","","","has coordinates","287345","2023-11-06","07:27:59",""
"7247415","15.9305","0.0005","7.0439","0.0002","15.4405","0.0006","90","","116.292","0.003","90","","1553.38","0.1","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Oxyma_B","Oxyma B","","- C6 H7 N3 O4 -","- C6 H7 N3 O4 -","- C48 H56 N24 O32 -","8","2","","Prohens, Rafel; Barbas, Rafael; de la Torre, Beatriz G.; Albericio, Fernando; Frontera, Antonio","An experimental and computational investigation of the elusive anhydrous form of Oxyma-B","CrystEngComm","2023","25","41","5818","5826","10.1039/D3CE00741C","powder diffraction","","1.54175","CuKα","","","","","","","","","14.3642","56.8","","","","","","","has coordinates","287335","2023-11-06","07:23:53",""
"7247418","27.0713","0.0011","9.526","0.0003","24.0085","0.001","90","","93.82","0.004","90","","6177.6","0.4","120","10","120.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H64 Dy2 N22 O18 W -","- C50 H64 Dy2 N22 O18 W -","- C200 H256 Dy8 N88 O72 W4 -","4","0.5","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0694","0.0406","","","0.078","0.0819","","","","","","1.059","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247419","26.9939","0.0009","9.5351","0.0003","24.0996","0.0007","90","","93.714","0.003","90","","6190","0.3","120","0.1","120.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H64 Dy2 Mo N22 O18 -","- C50 H64 Dy2 Mo N22 O18 -","- C200 H256 Dy8 Mo4 N88 O72 -","4","0.5","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0705","0.0426","","","0.0964","0.1","","","","","","0.866","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247420","10.5532","0.0009","11.6027","0.001","18.7684","0.0016","92.524","0.002","95.871","0.002","108.109","0.002","2165.8","0.3","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C31 H39 Dy Mo N15 O16.5 -","- C31 H39 Dy Mo N15 O16.5 -","- C62 H78 Dy2 Mo2 N30 O33 -","2","1","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0461","0.0365","","","0.0818","0.087","","","","","","1.046","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247421","10.4246","0.0011","11.7295","0.0011","18.732","0.0019","93.031","0.003","95.698","0.003","108.135","0.003","2157.4","0.4","120","","120","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H48 Dy N15 O16.5 W -","- C29 H48 Dy N15 O16.5 W -","- C58 H96 Dy2 N30 O33 W2 -","2","1","","Mao, Pan-Dong; Sun, Hui-Ying; Yan, Fei-Fei; Zhang, Shi-Hui; Li, Xin-Feng; Zhou, Ren-He; Zhang, Yi-Quan; Meng, Yin-Shan; Liu, Tao","Dinuclear and trinuclear cyano-bridged {DyIIIMIV} (M = W, Mo) single-ion magnets supported by pentadentate Schiff-base ligands","CrystEngComm","2023","25","43","6030","6038","10.1039/D3CE00720K","","","0.71073","MoKα","","0.0488","0.0378","","","0.08","0.0847","","","","","","1.081","","","","has coordinates,has disorder","288779","2024-01-06","07:55:05",""
"7247422","11.7573","0.0006","11.5545","0.0007","15.8209","0.001","90","","106.604","0.002","90","","2059.6","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 Cd N3 O7 S -","- C18 H21 Cd N3 O7 S -","- C72 H84 Cd4 N12 O28 S4 -","4","1","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","","0.71073","MoKα","","0.0458","0.0325","","","0.0672","0.0737","","","","","","1.081","","","","has coordinates","287347","2023-11-06","07:28:21",""
"7247423","11.5878","0.0012","17.7103","0.0012","13.2737","0.0013","90","","114.676","0.012","90","","2475.3","0.5","100","0.1","100","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Cd N5 O7 S -","- C23 H23 Cd N5 O7 S -","- C92 H92 Cd4 N20 O28 S4 -","4","1","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","x-ray","0.71073","MoKα","","0.0726","0.0587","","","0.1461","0.1531","","","","","","1.05","","","","has coordinates","287347","2023-11-06","07:28:23",""
"7247424","5.73025","0.00007","8.1274","0.00011","12.86566","0.00018","74.1108","0.0012","89.5736","0.0011","84.1958","0.0011","573.204","0.014","99.99","0.1","99.99","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C16 H22 Cd N4 O6 S4 -","- C16 H22 Cd N4 O6 S4 -","- C16 H22 Cd N4 O6 S4 -","1","0.5","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","x-ray","0.71073","MoKα","","0.0346","0.0311","","","0.0772","0.079","","","","","","1.104","","","","has coordinates","287347","2023-11-06","07:28:33",""
"7247425","7.364","0.0001","23.3599","0.0003","19.2032","0.0003","90","","93.423","0.001","90","","3297.49","0.08","100","0.1","100","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H68 Cd2 N14 O20 S2 -","- C62 H68 Cd2 N14 O20 S2 -","- C124 H136 Cd4 N28 O40 S4 -","2","0.5","","Wang, Xueyuan; Carrillo-Aravena, Eduardo; Wu, Yuandong; Mei, Dajiang; Wen, Shaoguo; Doert, Thomas","Investigation of four Cd(ii) sulfonate complexes: crystal structure, Hirshfeld surface analysis, thermogravimetric and spectroscopic properties","CrystEngComm","2023","25","40","5673","5681","10.1039/D3CE00792H","","x-ray","0.71073","MoKα","","0.0428","0.0385","","","0.1035","0.1066","","","","","","1.077","","","","has coordinates","287347","2023-11-06","07:28:36",""
"7247426","11.053","0.012","11.22","0.012","13.17","0.014","80.21","0.03","80.56","0.03","75.51","0.03","1546","3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H88 Dy2 Fe4 N10 O32 -","- C34 H88 Dy2 Fe4 N10 O32 -","- C34 H88 Dy2 Fe4 N10 O32 -","1","0.5","","Liu, Shujing; Zou, Chen; Wang, Hanjie; Chen, Sihuai; Yuan, Jun; Jia, Lihui","Synthesis, structures, and magnetic properties of butterfly-shaped hexanuclear [FeIII4LnIII2] single-molecule magnets","CrystEngComm","2023","25","42","5893","5899","10.1039/D3CE00824J","","","0.71073","MoKα","","0.0521","0.0354","","","0.0569","0.0632","","","","","","1.066","","","","has coordinates","287337","2023-11-06","07:24:33",""
"7247427","10.8225","0.0003","11.1813","0.0003","12.9331","0.0004","79.542","0.003","79.911","0.002","75.815","0.002","1478.02","0.08","293","","293","","","","","","","","","6","P -1","-P 1","2","","","","- C34 H88 Fe4 N10 O32 Y2 -","- C34 H88 Fe4 N10 O32 Y2 -","- C34 H88 Fe4 N10 O32 Y2 -","1","0.5","","Liu, Shujing; Zou, Chen; Wang, Hanjie; Chen, Sihuai; Yuan, Jun; Jia, Lihui","Synthesis, structures, and magnetic properties of butterfly-shaped hexanuclear [FeIII4LnIII2] single-molecule magnets","CrystEngComm","2023","25","42","5893","5899","10.1039/D3CE00824J","","x-ray","1.54178","CuKα","","0.0792","0.0783","","","0.2215","0.2218","","","","","","1.179","","","","has coordinates","287337","2023-11-06","07:24:44",""
"7247429","15.7355","0.0006","8.0029","0.0003","31.7701","0.0013","90","","90","","90","","4000.8","0.3","293","2","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-(3-(pyren-1-yl)phenyl)benzo[d]thiazole","","- C29 H17 N S -","- C29 H17 N S -","- C232 H136 N8 S8 -","8","1","","Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing","Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane","CrystEngComm","2023","25","41","5802","5809","10.1039/D3CE00744H","","","0.71073","MoKα","","0.1263","0.0904","","","0.2221","0.2562","","","","","","0.891","","","","has coordinates","287331","2023-11-06","07:21:14",""
"7247430","13.152","0.0005","14.0836","0.0005","12.0152","0.0005","90","","115.009","0.001","90","","2016.88","0.14","293","2","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(2-(pyren-1-yl)phenyl)benzo[d]thiazole","","- C29 H17 N S -","- C29 H17 N S -","- C116 H68 N4 S4 -","4","1","","Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing","Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane","CrystEngComm","2023","25","41","5802","5809","10.1039/D3CE00744H","","","0.71073","MoKα","","0.0596","0.0427","","","0.1018","0.1161","","","","","","1.063","","","","has coordinates","287331","2023-11-06","07:21:20",""
"7247431","7.731","0.0006","8.1036","0.0005","32.103","0.002","90","","90","","90","","2011.2","0.2","294","2","294","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2-(4-(pyren-1-yl)phenyl)benzo[d]thiazole","","- C29 H17 N S -","- C29 H17 N S -","- C116 H68 N4 S4 -","4","1","","Xia, Zhou-An; Zhang, Xiangyu; Xi, Chang; Bai, Qing; Liu, Haichao; Zhang, Shi-Tong; Yang, Bing","Constructing a pyrene-based dimer in a crystal by adjusting the steric hindrance over the pyrene plane","CrystEngComm","2023","25","41","5802","5809","10.1039/D3CE00744H","","","0.71073","MoKα","","0.0911","0.0421","","","0.084","0.1063","","","","","","1.085","","","","has coordinates","287331","2023-11-06","07:21:25",""
"7247432","9.4617","0.0005","11.8672","0.0007","13.219","0.0008","90","","90","","90","","1484.28","0.15","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","NM-1287","","- C17 H18 S -","- C17 H18 S -","- C68 H72 S4 -","4","1","","Mukherjee, Nilanjana; Chatterjee, Tanmay","Recyclable iodine-catalyzed oxidative C–H chalcogenation of 1,1-diarylethenes in water: green synthesis of trisubstituted vinyl sulfides and selenides","Green Chemistry","2023","25","21","8798","8807","10.1039/D3GC02999A","","x-ray","1.54184","CuKα","","0.0484","0.042","","","0.1146","0.1227","","","","","","1.084","","","","has coordinates","287360","2023-11-06","07:45:05",""
"7247433","8.19","0.0003","10.9737","0.0003","16.0251","0.0005","92.841","0.001","98.85","0.001","91.328","0.001","1420.66","0.08","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H16 O3 S -","- C16 H16 O3 S -","- C64 H64 O12 S4 -","4","2","","Mei, Lan; Shu, Xiao-Rong; Liu, Fa-Liang; Li, Jiao-Zhe; Zhang, Jian-Feng; Tang, Keqi; Wei, Wen-Ting","Multicomponent hydrosulfonylation of alkynes for the synthesis of vinyl sulfones","Green Chemistry","2023","25","21","8820","8825","10.1039/D3GC02284F","","","0.71073","MoKα","","0.0973","0.0571","","","0.1096","0.1341","","","","","","1.031","","","","has coordinates","287357","2023-11-06","07:44:25",""
"7247437","10.7008","0.0004","13.6759","0.0003","11.2342","0.0005","90","","113.51","0.005","90","","1507.58","0.11","180","0.1","180","0.1","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C29 H31 Cl2 Co I O3 P S -","- C29 H31 Cl2 Co I O3 P S -","- C58 H62 Cl4 Co2 I2 O6 P2 S2 -","2","1","","Ma, Shuang-Shuang; Sun, Rui; Zhang, Zi-Heng; Guan, Peng-Xin; Lin, Jin-Qing; Li, Chun-Shan; Xu, Bao-Hua","Co(dppbsa)-catalyzed reductive N,N-dimethylation of nitroaromatics with CO2 and hydrosilane","Green Chemistry","2023","25","21","8625","8632","10.1039/D3GC02517A","","x-ray","0.71073","MoKα","","0.049","0.0403","","","0.0837","0.0883","","","","","","1.018","","","","has coordinates,has disorder","287361","2023-11-06","07:45:21",""
"7247438","9.8862","0.0004","11.8127","0.0005","12.3102","0.0005","93.827","0.003","93.94","0.003","111.868","0.004","1324.38","0.1","102","3","102","3","","","","","","","","3","P -1","-P 1","2","","3TCNQ2NPE","","- C35 H19 N7 -","- C35 H19 N7 -","- C70 H38 N14 -","2","1","","Abou Taka, Ali; Reynolds, 3rd, Joseph E; Cole-Filipiak, Neil C; Shivanna, Mohana; Yu, Christine J.; Feng, Patrick; Allendorf, Mark D.; Ramasesha, Krupa; Stavila, Vitalie; McCaslin, Laura M.","Comparing the structures and photophysical properties of two charge transfer co-crystals.","Physical chemistry chemical physics : PCCP","2023","25","40","27065","27074","10.1039/d3cp03720g","","x-ray","1.54184","CuKα","","0.0431","0.0372","","","0.1021","0.1073","","","","","","1.031","","","","has coordinates","287424","2023-11-06","08:30:12",""
"7247439","6.7312","0.0003","36.6599","0.0013","9.515","0.0004","90","","106.283","0.004","90","","2253.79","0.17","99.95","0.1","99.95","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H15 N5 -","- C27 H15 N5 -","- C108 H60 N20 -","4","1","","Abou Taka, Ali; Reynolds, 3rd, Joseph E; Cole-Filipiak, Neil C; Shivanna, Mohana; Yu, Christine J.; Feng, Patrick; Allendorf, Mark D.; Ramasesha, Krupa; Stavila, Vitalie; McCaslin, Laura M.","Comparing the structures and photophysical properties of two charge transfer co-crystals.","Physical chemistry chemical physics : PCCP","2023","25","40","27065","27074","10.1039/d3cp03720g","","x-ray","1.54184","CuKα","","0.1331","0.1237","","","0.333","0.3397","","","","","","1.085","","","","has coordinates,has disorder","287424","2023-11-06","08:30:22",""
"7247442","7.0782","0.0007","12.8899","0.0012","17.2503","0.0015","90","","90","","90","","1573.9","0.3","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C72 H48 Cl8 N8 O4 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0359","0.0339","","","0.0878","0.0896","","","","","","1.079","","","","has coordinates","287350","2023-11-06","07:29:57",""
"7247443","11.404","0.008","12.721","0.008","15.241","0.011","90","","109.811","0.008","90","","2080","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C88 H64 Cl16 N8 O8 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0433","0.0397","","","0.1051","0.1084","","","","","","1.085","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247444","22.923","0.003","11.7148","0.0014","11.64","0.0018","90","","92.091","0.006","90","","3123.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C144 H96 Cl16 N16 O8 -","8","2","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0609","0.0508","","","0.1253","0.1327","","","","","","1.12","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247445","18.809","0.003","3.8575","0.0006","29.184","0.005","90","","98.486","0.007","90","","2094.3","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C88 H64 Cl16 N8 O8 -","4","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0477","0.0362","","","0.079","0.0829","","","","","","1.043","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247446","10.5285","0.0011","7.097","0.0007","19.468","0.002","90","","99.747","0.007","90","","1433.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 Cl2 N2 O -","- C16 H12 Cl2 N2 O -","- C64 H48 Cl8 N8 O4 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0646","0.0451","","","0.0904","0.097","","","","","","1.073","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247447","10.3339","0.0014","7.2993","0.001","14.544","0.0019","90","","104.972","0.007","90","","1059.8","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C44 H32 Cl8 N4 O4 -","2","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0407","0.0343","","","0.084","0.0875","","","","","","1.05","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247448","5.789","0.007","14.243","0.019","12.602","0.016","90","","98.64","0.03","90","","1027","2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C44 H32 Cl8 N4 O4 -","2","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.035","0.032","","","0.0829","0.0849","","","","","","1.03","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247449","10.5269","0.0011","12.0193","0.0012","13.2546","0.0014","90","","113.08","0.005","90","","1542.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C72 H48 Cl8 N8 O4 -","4","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0454","0.0355","","","0.0803","0.0842","","","","","","1.053","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247450","7.4028","0.0009","7.9597","0.001","9.349","0.0012","100.674","0.007","94.021","0.007","100.27","0.007","529.64","0.12","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","1","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0577","0.0426","","","0.0979","0.1052","","","","","","1.054","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247451","3.8427","0.0006","17.047","0.003","11.6457","0.0018","90","","97.752","0.007","90","","755.9","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C36 H24 Cl4 N4 O2 -","2","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0535","0.0418","","","0.0736","0.0769","","","","","","1.03","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247452","7.9894","0.0016","9.4955","0.0019","15.762","0.003","85.572","0.006","79.226","0.006","71.653","0.005","1114.8","0.4","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 Cl4 N2 O2 -","- C24 H16 Cl4 N2 O2 -","- C48 H32 Cl8 N4 O4 -","2","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.1219","0.0616","","","0.1145","0.1343","","","","","","1.019","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247453","8.0784","0.0006","8.0784","0.0006","32.831","0.005","90","","90","","90","","2142.6","0.4","150","2","150","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C22 H16 Cl4 N2 O2 -","- C22 H16 Cl4 N2 O2 -","- C88 H64 Cl16 N8 O8 -","4","0.5","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0308","0.0302","","","0.0768","0.0772","","","","","","1.095","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247454","8.127","0.0015","8.5365","0.0015","11.656","0.002","75.042","0.005","86.122","0.006","78.916","0.006","766.5","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H12 Cl2 N2 O -","- C18 H12 Cl2 N2 O -","- C36 H24 Cl4 N4 O2 -","2","1","","Dubey, Ritesh; Singh, Sandeep","Dichlorosubstitution as a steering tool in hydrogen bonded cocrystals: the nature of rigid and flexible coformers in crystal structures","CrystEngComm","2023","25","40","5697","5705","10.1039/D3CE00672G","","","0.71073","MoKα","","0.0452","0.0367","","","0.0887","0.0928","","","","","","1.03","","","","has coordinates","287350","2023-11-06","07:29:58",""
"7247455","20.8278","0.0003","14.7244","0.0003","7.739","0.0002","90","","93.831","0.002","90","","2368.07","0.09","299.6","0.7","299.6","0.7","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 Mn N4 O5 -","- C25 H24 Mn N4 O5 -","- C100 H96 Mn4 N16 O20 -","4","0.5","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","0.71073","MoKα","","0.0528","0.0341","","","0.0815","0.0875","","","","","","1.042","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247456","20.3665","0.001","4.5514","0.0002","21.1136","0.0009","90","","101.761","0.005","90","","1916.06","0.15","100","2","100","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C10.5 H9 Mn0.5 N2 O3 -","- C10.5 H9 Mn0.5 N2 O3 -","- C84 H72 Mn4 N16 O24 -","8","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","1.54184","CuKα","","0.0799","0.0516","","","0.1153","0.1294","","","","","","1.046","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247457","22.1459","0.0003","12.0673","0.0002","12.5517","0.0002","90","","90","","90","","3354.33","0.09","100","2","100","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C24 H29 Mn2 N10 O13 -","- C24 H28 Mn2 N10 O13 -","- C96 H112 Mn8 N40 O52 -","4","0.5","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","1.54184","CuKα","","0.0892","0.0876","","","0.2234","0.2242","","","","","","1.191","","","","has coordinates,has disorder","288791","2024-01-06","07:57:26",""
"7247458","11.4647","0.0004","15.947","0.0006","13.4871","0.0003","90","","90","","90","","2465.81","0.14","150","2","150","2","","","","","","","","5","P n n m","-P 2 2n","58","","","","- C9 H11 Mn N4 O6.5 -","- C9 H11 Mn N4 O6.5 -","- C72 H88 Mn8 N32 O52 -","8","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","0.71073","MoKα","","0.0639","0.0396","","","0.0759","0.086","","","","","","1.032","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247459","14.414","0.003","10.48","0.002","7.74","0.0015","90","","105.64","0.03","90","","1125.9","0.4","100","2","100","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C9 H10 Mn N4 O6 -","- C9 H10 Mn N4 O6 -","- C36 H40 Mn4 N16 O24 -","4","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","","0.71073","Synchrotron","","0.0722","0.0645","","","0.1695","0.1761","","","","","","1.093","","","","has coordinates,has disorder","288791","2024-01-06","07:57:26",""
"7247460","12.318","0.003","12.9645","0.0013","9.0482","0.0012","90","","107.377","0.015","90","","1379","0.4","293","2","293","2","","","","","","","","5","C 1 m 1","C -2y","8","","","","- C21 H23 Mn2 N9 O11 -","- C21 H23 Mn2 N9 O11 -","- C42 H46 Mn4 N18 O22 -","2","0.5","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","0.71073","MoKα","","0.0672","0.0618","","","0.1626","0.1673","","","","","","1.084","","","","has coordinates,has disorder","288791","2024-01-06","07:57:26",""
"7247461","23.2881","0.0007","10.4868","0.0002","24.8587","0.0008","90","","114.461","0.004","90","","5526","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23.5 H18.83 Mn N4.83 O4.83 -","- C23.4999 H18.8331 Mn N4.8333 O4.8333 -","- C187.999 H150.665 Mn8 N38.6664 O38.6664 -","8","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","x-ray","1.54184","CuKα","","0.0939","0.0825","","","0.2457","0.2577","","","","","","1.04","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247462","9.1364","0.0001","16.5273","0.0003","21.5295","0.0003","90","","101.798","0.001","90","","3182.28","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 Mn2 N8 O12 -","- C26 H36 Mn2 N8 O12 -","- C104 H144 Mn8 N32 O48 -","4","1","","Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.","Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers","CrystEngComm","2023","25","47","6539","6548","10.1039/D3CE00881A","","","0.71073","MoKα","","0.0526","0.0365","","","0.0791","0.086","","","","","","1.038","","","","has coordinates","288791","2024-01-06","07:57:26",""
"7247463","9.115","0.0004","9.115","0.0004","10.2056","0.0006","90","","90","","90","","847.91","0.07","293","2","293","2","","","","","","","","5","I -4 2 m","I -4 2","121","","sodium cobalt (II, III) posphate cloride","","- Cl4 Co7.38 Na O16 P4 -","- Cl4 Co7.38 Na O16 P4 -","- Cl8 Co14.76 Na2 O32 P8 -","2","0.125","","Yakubovich, Olga; Kiriukhina, Galina; Simonov, Sergei; Volkov, Anatoliy; Dimitrova, Olga","NaCo7.38(PO4)4Cl4 in a series of homeotype compounds with stable cationic substructures derived from the sulphohalite archetype","CrystEngComm","2023","25","43","6006","6016","10.1039/D3CE00819C","","","0.71073","MoKα","","0.0172","0.0164","","","0.0358","0.036","","","","","","1.302","","","","has coordinates","288778","2024-01-06","07:54:54",""
"7247464","26.806","0.004","7.7681","0.001","20.357","0.003","90","","112.251","0.003","90","","3923.3","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 N7 O11 -","- C16 H11 N7 O11 -","- C128 H88 N56 O88 -","8","2","","Zhang, Rongzheng; Xu, Yuangang; Yang, Feng; Wang, Pengcheng; Lin, Qiuhan; Huang, Hui; Lu, Ming","Synthesis, characterization and properties of new heat resistant energetic materials based on two C–C bridged pyrazole and benzene skeletons","CrystEngComm","2023","25","41","5827","5833","10.1039/D3CE00530E","","","0.71073","MoKα","","0.1105","0.0702","","","0.1647","0.187","","","","","","1.054","","","","has coordinates","287336","2023-11-06","07:24:10",""
"7247465","6.2299","0.0006","7.4168","0.0007","12.7696","0.0012","103.819","0.003","90.179","0.003","95.701","0.003","569.9","0.09","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 N10 O14 -","- C14 H12 N10 O14 -","- C14 H12 N10 O14 -","1","0.5","","Zhang, Rongzheng; Xu, Yuangang; Yang, Feng; Wang, Pengcheng; Lin, Qiuhan; Huang, Hui; Lu, Ming","Synthesis, characterization and properties of new heat resistant energetic materials based on two C–C bridged pyrazole and benzene skeletons","CrystEngComm","2023","25","41","5827","5833","10.1039/D3CE00530E","","","0.71073","MoKα","","0.0898","0.0503","","","0.1166","0.1346","","","","","","1.016","","","","has coordinates","287336","2023-11-06","07:24:15",""
"7247467","15.3694","0.0003","5.216","0.0001","22.3953","0.0005","90","","97.797","0.002","90","","1778.76","0.06","200","0.1","200","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0496","0.0426","","","0.1139","0.1191","","","","","","1.022","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247468","12.7762","0.0004","5.23515","0.00015","14.4736","0.0005","90","","111.409","0.004","90","","901.27","0.06","260.01","0.1","260.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.049","0.0418","","","0.1185","0.1241","","","","","","1.059","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247469","12.8223","0.0005","5.245","0.0002","14.5064","0.0005","90","","111.569","0.004","90","","907.28","0.06","290","0.1","290","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0519","0.0433","","","0.1203","0.1268","","","","","","1.08","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247470","12.8072","0.0004","5.24245","0.00015","14.4951","0.0004","90","","111.513","0.004","90","","905.42","0.05","279.99","0.1","279.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0516","0.0436","","","0.1207","0.1273","","","","","","1.061","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247471","12.747","0.0004","5.22886","0.00014","14.4507","0.0004","90","","111.302","0.003","90","","897.37","0.05","239.99","0.1","239.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0465","0.0404","","","0.1106","0.1152","","","","","","1.045","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247472","12.7632","0.0004","5.23201","0.00015","14.4635","0.0004","90","","111.364","0.004","90","","899.46","0.05","250","0.1","250","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0476","0.0411","","","0.1148","0.1196","","","","","","1.069","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247473","15.4013","0.0004","5.2236","0.0001","22.451","0.0006","90","","97.71","0.002","90","","1789.86","0.08","230","0.1","230","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0652","0.0482","","","0.1485","0.162","","","","","","1.06","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247474","15.3811","0.0003","5.21845","0.00012","22.4123","0.0005","90","","97.767","0.002","90","","1782.43","0.07","210","0.1","210","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0518","0.0429","","","0.1207","0.1272","","","","","","1.049","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247475","15.3909","0.0004","5.22159","0.00012","22.4298","0.0006","90","","97.735","0.002","90","","1786.17","0.08","220","0.1","220","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0562","0.0451","","","0.1346","0.1434","","","","","","1.061","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247476","12.7932","0.0005","5.23468","0.00018","14.4811","0.0006","90","","111.423","0.005","90","","902.77","0.07","269.99","0.1","269.99","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C40 H40 O12 -","4","1","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0518","0.0424","","","0.1159","0.1232","","","","","","1.04","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247477","15.4043","0.0004","5.2267","0.0001","22.4631","0.0006","90","","97.697","0.003","90","","1792.29","0.08","235","0.1","235","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3-benzoylpropionic acid","3-benzoylpropionic acid","","- C10 H10 O3 -","- C10 H10 O3 -","- C80 H80 O24 -","8","2","","Poręba, Tomasz; Świątkowski, Marcin; Confalonieri, Giorgia","Melting pseudosymmetry and thermal expansion in 3-benzoylpropionic acid","CrystEngComm","2023","25","42","5932","5941","10.1039/D3CE00940H","","x-ray","1.54184","CuKα","","0.0696","0.0493","","","0.1505","0.165","","","","","","1.071","","","","has coordinates","287339","2023-11-06","07:25:22",""
"7247478","7.1034","0.0006","7.4941","0.0006","15.5567","0.0012","100.593","0.003","91.274","0.003","111.564","0.003","753.39","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C7 H8 O6 -","- C7 H8 O6 -","- C28 H32 O24 -","4","2","","Ghouari, Nasreddine; Benali-Cherif, Rim; Takouachet, Radhwane; Falek, Wahiba; Missaoui, Djallila; Rahmouni, Ali; Bendeif, El-Eulmi; Benali-Cherif, Nourredine","Crystal engineering of a new pharmaceutical polymorph of gallic acid monohydrate: a structural comparative study and chemical computational quantum investigations","CrystEngComm","2023","25","45","6279","6290","10.1039/D3CE00766A","","","0.71073","MoKα","","0.077","0.0584","","","0.1461","0.154","","","","","","1.147","","","","has coordinates,has disorder","288807","2024-01-06","08:05:42",""
"7247479","11.4448","0.0003","8.3202","0.0002","20.9237","0.0006","90","","104.738","0.001","90","","1926.87","0.09","134.68","","134.68","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N5 O4 -","- C20 H23 N5 O4 -","- C80 H92 N20 O16 -","4","1","","Liu, Mengjia; He, Ying; Wojtas, Lukasz; Shi, Xiaodong","Design and synthesis of covalently tethered “isoG-star” as a recyclable host for selective cesium separation","Green Chemistry","2023","25","21","8494","8499","10.1039/D3GC02932H","","x-ray","1.54178","CuKα","","0.0575","0.0491","","","0.1279","0.1358","","","","","","1.046","","","","has coordinates","287359","2023-11-06","07:44:56",""
"7247480","44.243","0.001","19.9018","0.0006","17.7791","0.0006","90","","110.985","0.002","90","","14616.5","0.8","100","","100","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C32.05 H47.58 N5 O8.68 Si -","- C32.0517 H47.577 N5 O8.67675 Si -","- C512.828 H761.232 N80 O138.828 Si16 -","16","4","","Liu, Mengjia; He, Ying; Wojtas, Lukasz; Shi, Xiaodong","Design and synthesis of covalently tethered “isoG-star” as a recyclable host for selective cesium separation","Green Chemistry","2023","25","21","8494","8499","10.1039/D3GC02932H","","x-ray","1.54178","CuKα","","0.0799","0.0569","","","0.1498","0.1661","","","","","","1.05","","","","has coordinates,has disorder","287359","2023-11-06","07:44:56",""
"7247481","13.6491","0.0008","16.3995","0.0007","15.8476","0.0009","90","","102.302","0.005","90","","3465.8","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H42 N8 O6 -","- C36 H42 N8 O6 -","- C144 H168 N32 O24 -","4","1","","Cai, Zhen-an; Du, Jing; Huang, Tiefan; Ding, Yanjun; Wu, Mingzai","Chloroform-selective vapochromic behavior based on crystal-state host–guest complexation of an organic cage","CrystEngComm","2023","25","41","5778","5781","10.1039/D3CE00882G","","","1.54186","CuKα","","0.0607","0.0407","","","0.1011","0.1075","","","","","","0.952","","","","has coordinates","287333","2023-11-06","07:21:41",""
"7247482","16.4758","0.0008","14.6068","0.0009","19.2419","0.001","90","","114.749","0.004","90","","4205.4","0.4","150","","150","","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","","","- C38 H44 Cl6 N8 O6 -","- C38 H44 Cl6 N8 O6 -","- C152 H176 Cl24 N32 O24 -","4","0.5","","Cai, Zhen-an; Du, Jing; Huang, Tiefan; Ding, Yanjun; Wu, Mingzai","Chloroform-selective vapochromic behavior based on crystal-state host–guest complexation of an organic cage","CrystEngComm","2023","25","41","5778","5781","10.1039/D3CE00882G","","","1.54186","CuKα","","0.0675","0.0593","","","0.1649","0.172","","","","","","1.101","","","","has coordinates","287333","2023-11-06","07:21:53",""
"7247486","15.093","0.0006","8.0955","0.0003","20.7666","0.0007","90","","105.204","0.002","90","","2448.56","0.16","296","2","296.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C H F O S -","- C3.29412 H2.82353 F0.235294 O0.470588 S0.117647 -","- C112 H96 F8 O16 S4 -","34","8.5","","Li, Jiayu; Guo, Zipeng; Zhang, Xiaofeng; Meng, Xiaoli; Dai, Zhenyang; Gao, Meiyun; Guo, Shuo; Tang, Pingping","Light-induced aryldifluoromethyl-sulfonylation/thioetherification of alkenes using arenethiolates as a photoreductant and sulfur source","Green Chemistry","2023","25","22","9292","9300","10.1039/D3GC03471B","","","0.71073","MoKα","","0.0705","0.0443","","","0.1176","0.1329","","","","","","1.042","","","","has coordinates","288820","2024-01-06","08:24:09",""
"7247487","29.1334","0.0015","8.9809","0.0005","18.4512","0.001","90","","113.468","0.002","90","","4428.3","0.4","253","2","253","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H18.86 F6 N Na O9 S2 -","- C12 H18.86 F6 N Na O9 S2 -","- C96 H150.88 F48 N8 Na8 O72 S16 -","8","1","","Kobayashi, Akira; Yamagami, Jun; Ranjan, Subham; Takamizawa, Satoshi; Honda, Hisashi","Solid state <sup>1</sup>H, <sup>7</sup>Li, and <sup>13</sup>C NMR studies on new ionic plastic crystals of crown ether-Li-TFSA complexes.","Physical chemistry chemical physics : PCCP","2023","25","40","27836","27847","10.1039/d3cp02614k","","","0.71073","MoKα","","0.0995","0.0845","","","0.2379","0.259","","","","","","0.974","","","","has coordinates,has disorder","287425","2023-11-06","08:30:34",""
"7247488","29.292","0.013","9.039","0.004","18.545","0.009","90","","113.231","0.014","90","","4512","4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C12 H20 F6 N Na O9 S2 -","- C12 H20 F6 N Na O9 S2 -","- C96 H160 F48 N8 Na8 O72 S16 -","8","1","","Kobayashi, Akira; Yamagami, Jun; Ranjan, Subham; Takamizawa, Satoshi; Honda, Hisashi","Solid state <sup>1</sup>H, <sup>7</sup>Li, and <sup>13</sup>C NMR studies on new ionic plastic crystals of crown ether-Li-TFSA complexes.","Physical chemistry chemical physics : PCCP","2023","25","40","27836","27847","10.1039/d3cp02614k","","","0.71073","MoKα","","0.1833","0.1478","","","0.4292","0.4546","","","","","","3.055","","","","has coordinates,has disorder","287425","2023-11-06","08:30:34",""
"7247489","8.6128","0.0003","11.9192","0.0003","14.6382","0.0004","93.623","0.002","94.957","0.003","93.773","0.002","1490.27","0.08","123","2","123.15","","","","","","","","","6","P -1","-P 1","2","","N-methyl-N-propylpyrrolidinium (tetrakis)hexafluoroisopropoxy borate","","- C20 H22 B F24 N O4 -","- C20 H22 B F24 N O4 -","- C40 H44 B2 F48 N2 O8 -","2","1","","Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega","Fluoroborate ionic liquids as sodium battery electrolytes.","Physical chemistry chemical physics : PCCP","2023","25","40","27718","27730","10.1039/d3cp03694d","","","1.54184","CuKα","","0.0528","0.0455","","","0.1268","0.1329","","","","","","1.097","","","","has coordinates","287423","2023-11-06","08:29:37",""
"7247490","9.0301","0.0003","9.92","0.0003","14.9196","0.0004","85.444","0.003","80.521","0.003","77.435","0.003","1285.34","0.07","123","2","123.15","","","","","","","","","6","P -1","-P 1","2","","iso-butyl(diethyl)methyl phosphonium (tetrakis)trifluoroethoxy borate","","- C17 H30 B F12 O4 P -","- C17 H30 B F12 O4 P -","- C34 H60 B2 F24 O8 P2 -","2","1","","Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega","Fluoroborate ionic liquids as sodium battery electrolytes.","Physical chemistry chemical physics : PCCP","2023","25","40","27718","27730","10.1039/d3cp03694d","","","1.54184","CuKα","","0.0826","0.0705","","","0.1625","0.1695","","","","","","1.047","","","","has coordinates,has disorder","287423","2023-11-06","08:29:42",""
"7247491","17.6281","0.0002","18.6841","0.0002","28.371","0.0003","90","","96.401","0.001","90","","9286.17","0.18","123.15","","123.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","N-methyl-N-propylpyrrolidinium (tetrakis)trifluoroethoxy borate","","- C16 H26 B F12 N O4 -","- C16 H26 B F12 N O4 -","- C256 H416 B16 F192 N16 O64 -","16","4","","Duncan, Dale T.; Piper, Samantha L.; Forsyth, Maria; MacFarlane, Douglas R.; Kar, Mega","Fluoroborate ionic liquids as sodium battery electrolytes.","Physical chemistry chemical physics : PCCP","2023","25","40","27718","27730","10.1039/d3cp03694d","","","1.54184","CuKα","","0.1351","0.1216","","","0.3503","0.3587","","","","","","1.069","","","","has coordinates,has disorder","287423","2023-11-06","08:29:56",""
"7247493","10.9437","0.0002","21.7335","0.0003","25.2207","0.0004","90","","90","","90","","5998.61","0.17","173","2","173","2","","","","","","","","8","P b c m","-P 2c 2b","57","","","","- C40 H50 Ag3 Cl4 F18 N2 P3 S8 -","- C40 H50 Ag3 Cl4 F18 N2 P3 S8 -","- C160 H200 Ag12 Cl16 F72 N8 P12 S32 -","4","0.5","","Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji","Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode","CrystEngComm","2023","25","43","6096","6101","10.1039/D3CE00886J","","","0.71073","MoKα","","0.0732","0.0608","","","0.1562","0.1647","","","","","","1.045","","","","has coordinates,has disorder","288780","2024-01-06","07:55:17",""
"7247494","11.5778","0.0007","12.0547","0.0007","12.4212","0.0008","90","","111.23","0.004","90","","1615.94","0.18","173","2","173","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C25 H31 Ag2 F6 N O6 S4 -","- C25 H31 Ag2 F6 N O6 S4 -","- C50 H62 Ag4 F12 N2 O12 S8 -","2","1","","Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji","Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode","CrystEngComm","2023","25","43","6096","6101","10.1039/D3CE00886J","","","0.71073","MoKα","","0.0349","0.032","","","0.0659","0.0675","","","","","","1.03","","","","has coordinates,has disorder","288780","2024-01-06","07:55:27",""
"7247495","24.3861","0.0009","10.5716","0.0004","24.9876","0.0009","90","","106.3","0.002","90","","6182.9","0.4","173","2","173","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C43 H48 Ag4 Cl2 F12 N2 O12 S12 -","- C43 H48 Ag4 Cl2 F12 N2 O12 S12 -","- C172 H192 Ag16 Cl8 F48 N8 O48 S48 -","4","0.5","","Kim, Seulgi; Lee, Shim Sung; Kim, Joon Rae; Lee, Eunji","Assembling silver(i) coordination polymers of an NS4-macrocycle via an endo/exocyclic coordination mode","CrystEngComm","2023","25","43","6096","6101","10.1039/D3CE00886J","","","0.71073","MoKα","","0.0438","0.0365","","","0.0921","0.097","","","","","","1.03","","","","has coordinates,has disorder","288780","2024-01-06","07:55:29",""
"7247496","11.3392","0.0006","5.6836","0.0002","24.2274","0.0011","90","","93.381","0.002","90","","1558.68","0.12","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H12 N2 S -","- C20 H12 N2 S -","- C80 H48 N8 S4 -","4","1","","Pradhan, Asit Kumar; Ray, Manaswini; Parthasarathy, Venkatakrishnan; Mishra, Ashok Kumar","Effects of donor and acceptor substituents on the photophysics of 4-ethynyl-2,1,3-benzothiadiazole derivatives.","Physical chemistry chemical physics : PCCP","2023","25","42","29327","29340","10.1039/d3cp03318j","","","0.71073","MoKα","","0.0689","0.0498","","","0.1226","0.1432","","","","","","1.08","","","","has coordinates","287421","2023-11-06","08:28:20",""
"7247497","18.867","0.005","10.278","0.003","8.239","0.002","90","","92.057","0.011","90","","1596.6","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 N2 S -","- C18 H16 N2 S -","- C72 H64 N8 S4 -","4","1","","Pradhan, Asit Kumar; Ray, Manaswini; Parthasarathy, Venkatakrishnan; Mishra, Ashok Kumar","Effects of donor and acceptor substituents on the photophysics of 4-ethynyl-2,1,3-benzothiadiazole derivatives.","Physical chemistry chemical physics : PCCP","2023","25","42","29327","29340","10.1039/d3cp03318j","","","0.71073","MoKα","","0.1407","0.1005","","","0.2729","0.2919","","","","","","1.162","","","","has coordinates,has disorder","287421","2023-11-06","08:28:30",""
"7247498","11.19827","0.00002","27.60749","0.00006","18.08478","0.00004","90","","90.5504","0.0002","90","","5590.76","0.02","223","","223","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C48 H35.787 O2 Si2 -","- C48 H35.7873 O2 Si2 -","- C288 H214.724 O12 Si12 -","6","3","","Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki","Probing local structure of glass with orientation-dependent luminescence.","Physical chemistry chemical physics : PCCP","2023","25","41","28113","28118","10.1039/d3cp03565d","","x-ray","1.54184","CuKα","","0.0365","0.0358","","","0.1006","0.1014","","","","","","1.0446","","","","has coordinates,has disorder","287420","2023-11-06","08:28:02",""
"7247499","10.4534","0.0001","12.101","0.0001","13.6441","0.0001","110.811","0.001","104.524","0.001","95.283","0.001","1530.15","0.03","223","","223","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H32 O2 Si2 -","- C40 H32 O2 Si2 -","- C80 H64 O4 Si4 -","2","1","","Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki","Probing local structure of glass with orientation-dependent luminescence.","Physical chemistry chemical physics : PCCP","2023","25","41","28113","28118","10.1039/d3cp03565d","","x-ray","1.54184","CuKα","","0.041","0.0386","","","0.1022","0.1042","","","","","","1.0412","","","","has coordinates","287420","2023-11-06","08:28:03",""
"7247500","11.2799","0.0005","17.2391","0.0008","18.9684","0.0007","90","","102.339","0.001","90","","3603.3","0.3","93.15","","93.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 O2 Si2 -","- C48 H36 O2 Si2 -","- C192 H144 O8 Si8 -","4","1","","Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki","Probing local structure of glass with orientation-dependent luminescence.","Physical chemistry chemical physics : PCCP","2023","25","41","28113","28118","10.1039/d3cp03565d","","","0.71073","MoKα","","0.0412","0.0336","","","0.0823","0.0855","","","","","","1.0344","","","","has coordinates","287420","2023-11-06","08:28:03",""
"7247501","11.5209","0.0005","11.6461","0.0005","28.3488","0.0012","90.306","0.002","91.906","0.002","101.613","0.002","3723.5","0.3","223.15","","223.15","","","","","","","","","4","P 1","P 1","1","","","","- C48 H36 O2 Si2 -","- C48 H36 O2 Si2 -","- C192 H144 O8 Si8 -","4","4","","Tokoro, Yuichiro; Nakagawa, Tetsuya; Yamamoto, Shin-Ichi; Koizumi, Toshio; Oyama, Toshiyuki","Probing local structure of glass with orientation-dependent luminescence.","Physical chemistry chemical physics : PCCP","2023","25","41","28113","28118","10.1039/d3cp03565d","","","1.54178","CuKα","","0.0636","0.0609","","","0.1655","0.1751","","","","","","1.0498","","","","has coordinates","287420","2023-11-06","08:28:03",""
"7247510","5.78002","0.00017","18.6163","0.0006","15.854","0.0005","90","","95.564","0.003","90","","1697.89","0.09","300.88","0.1","300.88","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O5 -","- C18 H21 N O5 -","- C72 H84 N4 O20 -","4","1","","Zhao, Tian-Tian; Zhang, Xu-Gang; He, Wen-Bo; Xu, Peng-Fei","A novel approach for synthesizing α-amino acids via formate mediated hydrogen transfer using a carbon source","Green Chemistry","2023","25","21","8539","8543","10.1039/D3GC02955G","","x-ray","1.54184","CuKα","","0.0544","0.044","","","0.1198","0.1268","","","","","","1.082","","","","has coordinates","287358","2023-11-06","07:44:36",""
"7247511","10.4508","0.0002","12.4654","0.0002","14.1577","0.0003","90","","99.135","0.002","90","","1820.98","0.06","300.88","0.1","300.88","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 Cl N O2 -","- C21 H18 Cl N O2 -","- C84 H72 Cl4 N4 O8 -","4","1","","Zhao, Tian-Tian; Zhang, Xu-Gang; He, Wen-Bo; Xu, Peng-Fei","A novel approach for synthesizing α-amino acids via formate mediated hydrogen transfer using a carbon source","Green Chemistry","2023","25","21","8539","8543","10.1039/D3GC02955G","","x-ray","1.54184","CuKα","","0.0414","0.0381","","","0.0988","0.1009","","","","","","1.06","","","","has coordinates","287358","2023-11-06","07:44:37",""
"7247514","7.687","0.0015","16.132","0.003","14.951","0.003","90","","100.35","0.03","90","","1823.9","0.6","220","2","220","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(naphthalen-1-yl)-2-(10-oxoanthracen-9(10H)-ylidene)acetonitrile","","- C26 H15 N O -","- C26 H15 N O -","- C104 H60 N4 O4 -","4","1","","Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip","Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism","CrystEngComm","2023","25","45","6303","6309","10.1039/D3CE00718A","","","0.7","synchrotron","","0.0836","0.0687","","","0.217","0.2286","","","","","","1.132","","","","has coordinates","288804","2024-01-06","08:03:43",""
"7247515","16.899","0.003","5.502","0.0011","41.337","0.008","90","","90","","90","","3843.4","1.3","220","2","220","2","","","","","","","","4","P n a 21","P 2c -2n","33","","(Z)-3-(anthracen-9-yl)-2-(naphthalen-2-yl)acrylonitrile","","- C54 H33 Cl N2 -","- C54 H33.011 Cl0.989 N2 -","- C216 H132.044 Cl3.956 N8 -","4","1","","Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip","Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism","CrystEngComm","2023","25","45","6303","6309","10.1039/D3CE00718A","","","0.7","synchrotron","","0.0521","0.0419","","","0.1112","0.1166","","","","","","1.023","","","","has coordinates,has disorder","288804","2024-01-06","08:03:44",""
"7247516","20.818","0.004","5.388","0.0011","17.241","0.003","90","","107.1","0.03","90","","1848.4","0.7","220","2","220","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","(Z)-3-(anthracen-9-yl)-2-(naphthalen-2-yl)acrylonitrile","","- C27 H17 N -","- C27 H17 N -","- C108 H68 N4 -","4","1","","Ravi, Sasikala; Priyadharshini, Prakash; Karthikeyan, Subramanian; Pannipara, Mehboobali; Al-Sehemi, Abdullah G.; Madhu, Vedichi; Moon, Dohyun; Anthony, Savarimuthu Philip","Anthracene–naphthylacetonitrile fluorescent isomers and Cl/H substituent dependent molecular packing, solid-state fluorescence and mechanofluorochromism","CrystEngComm","2023","25","45","6303","6309","10.1039/D3CE00718A","","","0.63","synchrotron","","0.0577","0.0475","","","0.1404","0.1473","","","","","","1.102","","","","has coordinates","288804","2024-01-06","08:03:44",""
"7247517","7.1203","0.0004","12.9924","0.0007","16.795","0.001","90.201","0.002","98.985","0.001","98.48","0.002","1517.3","0.15","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H35 N5 O4 -","- C33 H35 N5 O4 -","- C66 H70 N10 O8 -","2","1","","Kang, Yanlei; Chen, Jiahui; Hu, Xiurong; Jiang, Yunliang; Li, Zhong","A cocrystal prediction method of graph neural networks based on molecular spatial information and global attention","CrystEngComm","2023","25","46","6405","6415","10.1039/D3CE00535F","","","0.71073","MoKα","","0.1021","0.0555","","","0.125","0.1611","","","","","","1","","","","has coordinates","288788","2024-01-06","07:56:53",""
"7247520","9.231","0.0002","11.1587","0.0002","11.8072","0.0002","109.53","0.002","108.436","0.002","100.043","0.002","1032.67","0.04","152","5","152","5","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 F N2 O11 -","- C23 H19 F N2 O11 -","- C46 H38 F2 N4 O22 -","2","1","","Zhang, Min; Gu, Dai-Lin; Zhen, Jian-Feng; Lu, Tong-Bu; Dai, Xia-Lin; Chen, Jia-Mei","A novel drug–drug cocrystal of tegafur and myricetin: optimized properties of dissolution and tabletability","CrystEngComm","2023","25","44","6171","6179","10.1039/D3CE00794D","","x-ray","1.54184","CuKα","","0.0487","0.046","","","0.1259","0.1277","","","","","","1.033","","","","has coordinates","288772","2024-01-06","07:53:34",""
"7247522","19.102","0.0003","19.102","0.0003","90.1075","0.0013","90","","90","","120","","28474.1","0.8","100","0.1","100","0.1","","","","","","","","7","R -3 :H","-R 3","148","","","","- C144 H96 Ag9 Br24 Cl3 P8 Pt -","- C144 H96 Ag9 Br24 Cl3 P8 Pt -","- C864 H576 Ag54 Br144 Cl18 P48 Pt6 -","6","0.333333","","Wang, Meng; Li, Simin; Tang, Xiongkai; Zuo, Dongjie; Jia, Yanyuan; Guo, Shuo; Guan, Zong-Jie; Shen, Hui","One-step preparation of Pt/Ag nanoclusters for CO<sub>2</sub> transformation.","Physical chemistry chemical physics : PCCP","2023","25","44","30373","30380","10.1039/d3cp02736h","","x-ray","1.54184","CuKα","","0.0596","0.0398","","","0.0945","0.1008","","","","","","1.076","","","","has coordinates","288903","2024-01-06","09:52:20",""
"7247523","16.7168","0.0007","8.3892","0.0003","19.5667","0.0008","90","","100.287","0.004","90","","2699.94","0.19","223","","223","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C16 H32 F6 Li O8 P S4 -","- C16 H32 F6 Li O8 P S4 -","- C64 H128 F24 Li4 O32 P4 S16 -","4","1","","Ugata, Yosuke; Chen, Yichuan; Miyazaki, Shuhei; Sasagawa, Shohei; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru","High-concentration LiPF<sub>6</sub>/sulfone electrolytes: structure, transport properties, and battery application.","Physical chemistry chemical physics : PCCP","2023","25","43","29566","29575","10.1039/d3cp04561g","","x-ray","0.71073","MoKα","","0.0596","0.0407","","","0.1069","0.1187","","","","","","1.022","","","","has coordinates,has disorder","288904","2024-01-06","09:52:46",""
"7247524","8.5408","0.0008","23.905","0.002","10.7593","0.0008","90","","91.014","0.007","90","","2196.4","0.3","223","","223","","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C5 H8 F3 Li O5 S2 -","- C5 H8 F3 Li O4.9993 S2 -","- C40 H64 F24 Li8 O39.9944 S16 -","8","1","","Ugata, Yosuke; Chen, Yichuan; Miyazaki, Shuhei; Sasagawa, Shohei; Ueno, Kazuhide; Watanabe, Masayoshi; Dokko, Kaoru","High-concentration LiPF<sub>6</sub>/sulfone electrolytes: structure, transport properties, and battery application.","Physical chemistry chemical physics : PCCP","2023","25","43","29566","29575","10.1039/d3cp04561g","","x-ray","0.71073","MoKα","","0.067","0.0568","","","0.1538","0.1631","","","","","","1.015","","","","has coordinates,has disorder","288904","2024-01-06","09:52:58",""
"7247529","13.8459","0.0001","10.3707","0.0001","26.6399","0.0003","90","","90","","90","","3825.27","0.06","293","2","293","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C20 H20 O6 S -","- C20 H20 O6 S -","- C160 H160 O48 S8 -","8","1","","Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu","Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes","Green Chemistry","2023","25","22","9086","9091","10.1039/D3GC03303A","","x-ray","1.54184","CuKα","","0.0432","0.0382","","","0.1069","0.1114","","","","","","1.073","","","","has coordinates","288819","2024-01-06","08:23:34",""
"7247530","9.6633","0.0005","10.4825","0.0005","11.2824","0.0007","84.233","0.004","68.85","0.005","83.784","0.004","1057.28","0.11","100","0.13","100","0.13","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 O4 S -","- C25 H24 O4 S -","- C50 H48 O8 S2 -","2","1","","Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu","Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes","Green Chemistry","2023","25","22","9086","9091","10.1039/D3GC03303A","","x-ray","1.54184","CuKα","","0.0807","0.0784","","","0.2295","0.2302","","","","","","1.104","","","","has coordinates","288819","2024-01-06","08:23:42",""
"7247531","12.5068","0.0001","10.9444","0.0001","15.0198","0.0001","90","","99.867","0.001","90","","2025.49","0.03","100","5","100","5","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H0.25 O4 S -","- C24 H22 O4 S -","- C96 H88 O16 S4 -","4","1","","Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu","Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes","Green Chemistry","2023","25","22","9086","9091","10.1039/D3GC03303A","","x-ray","1.54184","CuKα","","0.0344","0.0331","","","0.0907","0.0919","","","","","","1.054","","","","has coordinates","288819","2024-01-06","08:23:45",""
"7247532","5.7239","0.0002","16.0544","0.0004","20.5787","0.0007","94.727","0.002","94.995","0.003","90.152","0.002","1877.37","0.1","100","5","100","5","","","","","","","","4","P -1","-P 1","2","","","","- C20 H22 O6 S -","- C20 H22 O6 S -","- C80 H88 O24 S4 -","4","2","","Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu","Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes","Green Chemistry","2023","25","22","9086","9091","10.1039/D3GC03303A","","x-ray","0.71073","MoKα","","0.1966","0.1794","","","0.4517","0.4613","","","","","","1.103","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7247533","19.6119","0.0002","16.7818","0.0002","10.1615","0.0001","90","","92.942","0.001","90","","3339.98","0.06","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O4 S -","- C18 H18 O4 S -","- C144 H144 O32 S8 -","8","2","","Chandu, Palasetty; Biswas, Sourabh; Garai, Sumit; Sureshkumar, Devarajulu","Diastereoselective organophotocatalytic hydrosulfonylation of cyclopropenes","Green Chemistry","2023","25","22","9086","9091","10.1039/D3GC03303A","","x-ray","1.54184","CuKα","","0.0709","0.0589","","","0.1577","0.1691","","","","","","1.132","","","","has coordinates","296876","2024-12-16","17:34:44",""
"7247534","8.4502","0.0004","21.4984","0.0012","8.7348","0.0006","90","","105.103","0.003","90","","1532","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 I N2 O2 -","- C15 H16 I N2 O2 -","- C60 H64 I4 N8 O8 -","4","1","","Shurikov, Matvey K.; Tretyakov, Evgeny V.; Petunin, Pavel V.; Votkina, Darya E.; Romanenko, Galina V.; Bogomyakov, Artem S.; Burguera, Sergi; Frontera, Antonio; Kukushkin, Vadim Yu.; Postnikov, Pavel S.","Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding","CrystEngComm","2023","25","44","6152","6161","10.1039/D3CE00735A","","","0.71073","MoKα","","0.0822","0.0383","","","0.057","0.0659","","","","","","0.77","","","","has coordinates","288777","2024-01-06","07:54:34",""
"7247535","9.7329","0.0016","12.393","0.002","14.382","0.002","78.384","0.009","72.269","0.009","72.195","0.009","1562","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H16 I N2 O2 -","- C15 H16 I N2 O2 -","- C60 H64 I4 N8 O8 -","4","2","","Shurikov, Matvey K.; Tretyakov, Evgeny V.; Petunin, Pavel V.; Votkina, Darya E.; Romanenko, Galina V.; Bogomyakov, Artem S.; Burguera, Sergi; Frontera, Antonio; Kukushkin, Vadim Yu.; Postnikov, Pavel S.","Self-assembly of iodoacetylenyl-substituted nitronyl nitroxides via halogen bonding","CrystEngComm","2023","25","44","6152","6161","10.1039/D3CE00735A","","","0.71073","MoKα","","0.0792","0.0413","","","0.0775","0.0901","","","","","","0.893","","","","has coordinates","288777","2024-01-06","07:54:35",""
"7247536","9.0392","0.0004","9.0518","0.0003","13.7313","0.0006","76.202","0.001","74.883","0.001","67.225","0.001","988.05","0.07","173","2","173","2","","","","","","","","3","P -1","-P 1","2","none","N,N'-bis(5-phenyl-5H-dibenzo[a,d][7]annulen-5-yl)ethane-1,2-diamine pyridine clathrate","","- C54 H46 N4 -","- C54 H46 N4 -","- C54 H46 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0838","0.0476","","","0.1062","0.13","","","","","","1.082","","","","has coordinates","288805","2024-01-06","08:03:54",""
"7247537","8.9716","0.0005","9.2886","0.0005","13.8221","0.0008","75.212","0.003","76.005","0.003","66.684","0.003","1009.8","0.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C54 H50 N4 -","- C54 H50 N4 -","- C54 H50 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.058","0.0406","","","0.0875","0.0974","","","","","","1.047","","","","has coordinates","288805","2024-01-06","08:03:54",""
"7247538","8.7173","0.0006","11.2718","0.0008","12.6826","0.0009","108.163","0.003","105.764","0.002","104.337","0.002","1061.65","0.13","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C56 H50 N4 -","- C56 H50 N4 -","- C56 H50 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0474","0.0392","","","0.102","0.1095","","","","","","1.029","","","","has coordinates,has disorder","288805","2024-01-06","08:03:54",""
"7247539","9.0013","0.0003","26.7346","0.0009","9.0416","0.0003","90","","114.066","0.002","90","","1986.7","0.12","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","N,N'-Bis(5-phenyl-10,11-dihydro-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C106 H101 N7 -","- C106 H101 N7 -","- C106 H101 N7 -","1","0.25","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0658","0.0499","","","0.1238","0.1362","","","","","","1.019","","","","has coordinates,has disorder","288805","2024-01-06","08:03:54",""
"7247540","8.9471","0.001","9.974","0.0011","13.4375","0.0014","73.488","0.004","75.543","0.004","74.301","0.004","1087.2","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","N,N'-Bis(5-phenyl-5-dibenzo[a,d]cycloheptenyl)ethylenediamine","","- C56 H50 N4 -","- C56 H50 N4 -","- C56 H50 N4 -","1","0.5","","Barton, Benita; Caira, Mino R.; Trollip, Danica B.; Hosten, Eric C.","The behaviour of tricyclic fused host systems comprising seven-membered B-rings in mixed pyridines","CrystEngComm","2023","25","45","6317","6328","10.1039/D3CE00811H","","","0.71073","MoKα","","0.0715","0.0604","","","0.1718","0.1859","","","","","","1.049","","","","has coordinates,has disorder","288805","2024-01-06","08:03:54",""
"7247541","13.3215","0.0013","6.9213","0.0005","13.3412","0.0015","90","","105.928","0.01","90","","1182.9","0.2","100","2","100","0.11","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","methyl 7-fluoro-3-hydroxy-1,1-dimethyl-1,3-dihydrobenzo[c][1,2,5]oxasilaborole-4-carboxylate","","- C10 H12 B F O4 Si -","- C10 H12 B F O4 Si -","- C40 H48 B4 F4 O16 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0664","0.0528","","","0.1395","0.153","","","","","","1.024","","","","has coordinates","288806","2024-01-06","08:04:30",""
"7247542","8.3772","0.0003","11.1912","0.0003","12.2672","0.0004","90","","102.988","0.003","90","","1120.64","0.06","100","2","100.01","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-4-(trifluoromethyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B F3 O2 Si -","- C9 H10 B F3 O2 Si -","- C36 H40 B4 F12 O8 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0367","0.0351","","","0.0928","0.0942","","","","","","1.041","","","","has coordinates","288806","2024-01-06","08:04:41",""
"7247543","9.9043","0.0004","9.509","0.0003","12.4382","0.0005","90","","108.389","0.005","90","","1111.61","0.08","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-4-cyano-7-fluoro-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H9 B F N O2 Si -","- C9 H9 B F N O2 Si -","- C36 H36 B4 F4 N4 O8 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0445","0.0362","","","0.0878","0.0935","","","","","","1.073","","","","has coordinates","288806","2024-01-06","08:04:45",""
"7247544","7.5415","0.0002","6.9154","0.0002","10.0942","0.0002","90","","95.474","0.002","90","","524.04","0.02","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","1,1-dimethyl-7-fluoro-6-formylo-2,1,3-benzoxasilaborol-3(1H)-ol","","- C9 H10 B F O3 Si -","- C9 H10 B F O3 Si -","- C18 H20 B2 F2 O6 Si2 -","2","0.5","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.71073","MoKα","","0.0374","0.0333","","","0.0925","0.0961","","","","","","1.078","","","","has coordinates","288806","2024-01-06","08:04:58",""
"7247545","14.5174","0.0004","10.1711","0.0001","14.6098","0.0008","90","","95.774","0.006","90","","2146.31","0.14","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H10 B Cl O2 Si -","- C8 H10 B Cl O2 Si -","- C64 H80 B8 Cl8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0297","0.029","","","0.0805","0.0813","","","","","","1.059","","","","has coordinates","288806","2024-01-06","08:05:03",""
"7247546","13.6654","0.0006","18.404","0.0007","8.4758","0.0003","90","","96.021","0.004","90","","2119.89","0.15","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-6-cyano-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B N O2 Si -","- C9 H10 B N O2 Si -","- C72 H80 B8 N8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0423","0.035","","","0.0921","0.0985","","","","","","1.027","","","","has coordinates","288806","2024-01-06","08:05:14",""
"7247547","8.9458","0.0003","10.0166","0.0004","25.8341","0.0009","90","","90","","90","","2314.9","0.15","130","2","130","2","","","","","","","","6","P n a 21","P 2c -2n","33","","1,1-dimethyl-6-fluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B F O2 Si -","- C8 H10 B F O2 Si -","- C64 H80 B8 F8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0788","0.0521","","","0.1043","0.1165","","","","","","0.998","","","","has coordinates","288806","2024-01-06","08:05:17",""
"7247548","14.0599","0.0009","10.9765","0.0002","14.9951","0.0016","90","","94.876","0.011","90","","2305.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-6-(trifluoromethyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B F3 O2 Si -","- C9 H10 B F3 O2 Si -","- C72 H80 B8 F24 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.71073","MoKα","","0.0782","0.0499","","","0.1219","0.1386","","","","","","1.035","","","","has coordinates","288806","2024-01-06","08:05:18",""
"7247549","7.0678","0.0002","16.2162","0.0003","12.8481","0.0003","90","","97.58","0.002","90","","1459.69","0.06","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-7-(dihydroxyborono)-2,1,3-benzoxasilaborol-3(1H)-ol","","- C11 H18 B2 O5 Si -","- C11 H18 B2 O5 Si -","- C44 H72 B8 O20 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0676","0.0438","","","0.1094","0.124","","","","","","1.055","","","","has coordinates","288806","2024-01-06","08:05:20",""
"7247550","15.6371","0.0001","15.6371","0.0001","17.646","0.0002","90","","90","","90","","4314.78","0.06","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","6-bromo-1,1-dimethyl-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B Br O2 Si -","- C8 H10 B Br O2 Si -","- C128 H160 B16 Br16 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0371","0.0239","","","0.0533","0.0583","","","","","","1.046","","","","has coordinates","288806","2024-01-06","08:05:23",""
"7247551","15.507","0.0001","15.507","0.0001","17.3326","0.0002","90","","90","","90","","4167.92","0.06","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","1,1-dimethyl-7-chloro-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C8 H10 B Cl O2 Si -","- C8 H10 B Cl O2 Si -","- C128 H160 B16 Cl16 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","1.54178","CuKα","","0.0307","0.0304","","","0.0865","0.0868","","","","","","1.095","","","","has coordinates","288806","2024-01-06","08:05:24",""
"7247552","15.5827","0.0001","15.5827","0.0001","17.2392","0.0003","90","","90","","90","","4186.03","0.08","100","2","100","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C9 H11 B O3 Si -","- C9 H11 B O3 Si -","- C144 H176 B16 O48 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0787","0.0527","","","0.1256","0.1427","","","","","","1.023","","","","has coordinates,has disorder","288806","2024-01-06","08:05:24",""
"7247553","12.917","0.0004","9.3267","0.0002","18.3757","0.0008","90","","91.43","0.005","90","","2213.09","0.13","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-6,7-dichloro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B Cl2 O2 Si -","- C8 H9 B Cl2 O2 Si -","- C64 H72 B8 Cl16 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0546","0.0379","","","0.0855","0.0941","","","","","","1.057","","","","has coordinates","288806","2024-01-06","08:05:27",""
"7247554","7.0164","0.0003","12.3417","0.0006","18.5513","0.001","93.405","0.004","93.926","0.004","105.818","0.004","1536.87","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,1-dimethyl-5,6-difluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B F2 O2 Si -","- C8 H9 B F2 O2 Si -","- C48 H54 B6 F12 O12 Si6 -","6","3","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0535","0.0477","","","0.1219","0.1298","","","","","","1.063","","","","has coordinates","288806","2024-01-06","08:05:29",""
"7247555","8.5329","0.0004","17.0749","0.0004","13.9049","0.0009","90","","101.787","0.007","90","","1983.2","0.17","100","2","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-5-fluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B F O2 Si -","- C8 H10 B F O2 Si -","- C64 H80 B8 F8 O16 Si8 -","8","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0533","0.0424","","","0.0975","0.1044","","","","","","1.028","","","","has coordinates","288806","2024-01-06","08:05:32",""
"7247556","6.9101","0.0004","8.4399","0.0004","10.1501","0.0004","86.142","0.004","72.322","0.004","70.59","0.005","531.58","0.05","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","1,1-dimethyl-6,7-difluoro-6-formylo-2,1,3-benzoxasilaborol-3(1H)-ol","","- C9 H9 B F2 O3 Si -","- C9 H9 B F2 O3 Si -","- C18 H18 B2 F4 O6 Si2 -","2","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.7107","MoKα","","0.0327","0.0293","","","0.0845","0.0878","","","","","","1.033","","","","has coordinates","288806","2024-01-06","08:05:33",""
"7247557","14.4016","0.0009","8.5877","0.0003","25.338","0.002","90","","95.665","0.009","90","","3118.4","0.3","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","1,1-dimethyl-6,7-difluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B F2 O2 Si -","- C8 H9 B F2 O2 Si -","- C96 H108 B12 F24 O24 Si12 -","12","3","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","1.5418","CuKα","","0.0448","0.0376","","","0.0989","0.1047","","","","","","1.056","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247558","6.6288","0.0002","11.6079","0.0004","29.9883","0.0012","90","","90","","90","","2307.49","0.14","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","1,1-dimethyl-7-iodo-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B I O2 Si -","- C8 H10 B I O2 Si -","- C64 H80 B8 I8 O16 Si8 -","8","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0804","0.0593","","","0.1166","0.1264","","","","","","1.154","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247559","8.616","0.0002","9.8164","0.0003","17.2931","0.0004","103.181","0.002","93.671","0.002","100.986","0.002","1389.12","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","1,1-dimethyl-7-(trimethylsilyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C11 H19 B O2 Si2 -","- C11 H19 B O2 Si2 -","- C44 H76 B4 O8 Si8 -","4","2","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.045","0.0378","","","0.0997","0.1059","","","","","","1.031","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247560","15.8197","0.0002","15.8197","0.0002","18.3035","0.0005","90","","90","","90","","4580.69","0.15","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","1,1-dimethyl-7-(trifluoromethyl)-3-hydroxybenzo[c][1,2,3]siloxaborole","","- C9 H10 B F3 O2 Si -","- C9 H10 B F3 O2 Si -","- C144 H160 B16 F48 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","0.71073","MoKα","","0.0446","0.037","","","0.09","0.0953","","","","","","1.055","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247561","8.3266","0.0001","6.6782","0.0001","18.9086","0.0002","90","","96.84","0.001","90","","1043.96","0.02","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","1,1-dimethyl-5,6-difluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H9 B F2 O2 Si -","- C8 H9 B F2 O2 Si -","- C32 H36 B4 F8 O8 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","x-ray","1.54184","CuKα","","0.0357","0.0346","","","0.0962","0.0969","","","","","","1.136","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247562","15.3391","0.0001","15.3391","0.0001","16.9322","0.0003","90","","90","","90","","3983.94","0.08","100","2","100","2","","","","","","","","6","I 41/a :2","-I 4ad","88","","1,1-dimethyl-7-fluoro-2,1,3-benzoxasilaborol-3(1H)-ol","","- C8 H10 B F O2 Si -","- C8 H10 B F O2 Si -","- C128 H160 B16 F16 O32 Si16 -","16","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.71073","MoKα","","0.0672","0.0374","","","0.0866","0.0996","","","","","","1.026","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247563","11.1355","0.0012","10.6673","0.0003","12.051","0.003","90","","112.31","0.03","90","","1324.3","0.5","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1,1,6,6-tetramethyl-[1,3]dioxolo[4',5':4,5]benzo[1,2-c][1,2,5]oxasilaborol-3(1H)-ol","","- C11 H15 B O4 Si -","- C11 H15 B O4 Si -","- C44 H60 B4 O16 Si4 -","4","1","","Durka, Krzysztof; Zuba, Adam; Marek-Urban, Paulina H.; Nowicki, Krzysztof; Drapała, Jakub; Woźniak, Krzysztof; Luliński, Sergiusz","Exploring the effect of substitution patterns on the symmetry of hydrogen-bonded supramolecular motifs in functionalized benzosiloxaboroles","CrystEngComm","2023","25","45","6329","6342","10.1039/D3CE00880K","","","0.7107","MoKα","","0.0556","0.0417","","","0.1083","0.1181","","","","","","1.044","","","","has coordinates","288806","2024-01-06","08:05:34",""
"7247564","7.9293","0.0007","8.574","0.0007","11.9825","0.001","81.591","0.002","88.173","0.002","89.232","0.002","805.44","0.12","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Manganese-organic Compound","","","- C17 H16 Mn0.5 N4 O3 -","- C17 H16 Mn0.5 N4 O3 -","- C34 H32 Mn N8 O6 -","2","1","","Das, Chhatan; Debnath, Subhrajyoti; Patel, Vishwas D.; Gupta, Dhritiman; Banerjee, Anjan; Mahata, Partha","Differential supercapacitor and Schottky diode behaviours in two new isostructural coordination polymers based on redox active metal ions","CrystEngComm","2023","25","45","6343","6353","10.1039/D3CE00883E","","","0.71073","MoKα","","0.087","0.071","","","0.11","0.1152","","","","","","1.225","","","","has coordinates","288808","2024-01-06","08:05:48",""
"7247565","7.9266","0.0008","8.5888","0.0008","11.8991","0.0011","82.016","0.003","87.908","0.003","89.364","0.003","801.69","0.13","298","2","298","2","","","","","","","","5","P -1","-P 1","2","Iron-organic Compound","","","- C17 H16 Fe0.5 N4 O3 -","- C17 H16 Fe0.5 N4 O3 -","- C34 H32 Fe N8 O6 -","2","1","","Das, Chhatan; Debnath, Subhrajyoti; Patel, Vishwas D.; Gupta, Dhritiman; Banerjee, Anjan; Mahata, Partha","Differential supercapacitor and Schottky diode behaviours in two new isostructural coordination polymers based on redox active metal ions","CrystEngComm","2023","25","45","6343","6353","10.1039/D3CE00883E","","","0.71073","MoKα","","0.0667","0.0504","","","0.101","0.1077","","","","","","1.09","","","","has coordinates","288808","2024-01-06","08:05:48",""
"7247566","22.3092","0.0014","7.1387","0.0005","7.1638","0.0005","90","","98.471","0.002","90","","1128.45","0.13","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- As Br2 La3 S5 -","- As Br2 La3 S5 -","- As4 Br8 La12 S20 -","4","1","","Cicirello, Andrea; Swindle, Andrew; Wang, Jian","Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure","CrystEngComm","2023","25","45","6354","6360","10.1039/D3CE00834G","","","1.54178","CuKα","","0.0444","0.0444","","","0.1058","0.1058","","","","","","0.832","","","","has coordinates","288811","2024-01-06","08:06:43",""
"7247567","7.0472","0.0003","7.1152","0.0003","37.1137","0.0013","90","","90","","90","","1860.96","0.13","296","2","296","2","","","","","","","","4","P b c m","-P 2c 2b","57","","","","- As2 Cl3 La5 S9 -","- As2 Cl3 La5 S9 -","- As8 Cl12 La20 S36 -","4","0.5","","Cicirello, Andrea; Swindle, Andrew; Wang, Jian","Visualizing the alignment of lone pair electrons in La3AsS5Br2 and La5As2S9Cl3 to form an acentric or centrosymmetric structure","CrystEngComm","2023","25","45","6354","6360","10.1039/D3CE00834G","","","1.54178","CuKα","","0.0414","0.0398","","","0.1123","0.1138","","","","","","1.046","","","","has coordinates","288811","2024-01-06","08:06:53",""
"7247568","19.794","0.0002","19.794","0.0002","9.0285","0.0001","90","","90","","120","","3063.47","0.06","155","7","155","7","","","","","","","","6","P 63","P 6c","173","","MHOF-PO4-2","","- C45 H63 Cu3 N6 O16 P -","- C45 H63 Cu3 N6 O16 P -","- C90 H126 Cu6 N12 O32 P2 -","2","0.333333","","Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang","Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties","CrystEngComm","2023","25","44","6132","6136","10.1039/D3CE00917C","","","1.54184","CuKα","","0.0203","0.0199","","","0.0536","0.0541","","","","","","1.084","","","","has coordinates","288776","2024-01-06","07:54:28",""
"7247569","37.4254","0.0002","37.4254","0.0002","37.4254","0.0002","90","","90","","90","","52420.3","0.5","100","0.3","100","0.3","","","","","","","","6","F 41 3 2","F 4d 2 3","210","","MHOF-PO4-1","","- C45 H69 Cu3 N6 O19 P -","- C45 H69 Cu3 N6 O19 P -","- C1440 H2208 Cu96 N192 O608 P32 -","32","0.333333","","Zhou, Mi; Wang, Yujiang; Yuan, Guoyuan; Ju, Zhanfeng; Yuan, Daqiang","Synthesis and characterization of two metallo-hydrogen-bonded organic frameworks with diverse structures and properties","CrystEngComm","2023","25","44","6132","6136","10.1039/D3CE00917C","","","1.54184","CuKα","","0.0651","0.0538","","","0.1547","0.1632","","","","","","0.992","","","","has coordinates","288776","2024-01-06","07:54:28",""
"7247572","7.2546","0.0001","28.912","0.0004","9.1504","0.0001","90","","92.873","0.001","90","","1916.84","0.04","100.02","0.1","100.02","0.1","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","triphenylphospine sulfide pyrazine bis(1,3,5-trifluro-2,4,6-triiodobenzene)","","- C34 H19 F6 I6 N2 P S -","- C34 H19 F6 I6 N2 P S -","- C68 H38 F12 I12 N4 P2 S2 -","2","0.5","","Kumar, Lavanya; Dash, Sibananda G.; Leko, Katarina; Trzybiński, Damian; Bregović, Nikola; Cinčić, Dominik; Arhangelskis, Mihails","Elucidating mechanochemical reactivity of a ternary halogen-bonded cocrystal system by computational and calorimetric studies.","Physical chemistry chemical physics : PCCP","2023","25","42","28576","28580","10.1039/d3cp04358d","","x-ray","0.71073","MoKα","","0.0243","0.0207","","","0.0471","0.0486","","","","","","1.1528","","","","has coordinates","287422","2023-11-06","08:29:05",""
"7247573","13.3936","0.0003","27.474","0.0006","9.584","0.0002","90","","90","","90","","3526.68","0.13","170","","170","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C76 H81 I N4 O10 Si2 -","- C76 H81 I N4 O10 Si2 -","- C152 H162 I2 N8 O20 Si4 -","2","0.5","","Zhou, Hai-Jie; Yao, Yi-Ping; Zhang, Tonghui; Chen, Biao; Wang, Xu; Zhao, Hang; Zeng, Jie; Chen, Jian-Ai; Xiao, Xiao; Chen, Fen-Er","New conformationally flexible and recyclable aryl iodine catalysts from an inexpensive chiral source for asymmetric oxidations","Green Chemistry","2023","25","24","10447","10457","10.1039/D3GC02429F","","","0.71073","MoKα","","0.0285","0.0245","","","0.056","0.0584","","","","","","1.046","","","","has coordinates,has disorder","288816","2024-01-06","08:21:41",""
"7247574","28.216","0.009","13.252","0.002","14.528","0.003","90","","90","","90","","5432","2","170","","170","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C56 H61 I N4 O8 Si2 -","- C56 H60 I N4 O8 Si2 -","- C224 H240 I4 N16 O32 Si8 -","4","1","","Zhou, Hai-Jie; Yao, Yi-Ping; Zhang, Tonghui; Chen, Biao; Wang, Xu; Zhao, Hang; Zeng, Jie; Chen, Jian-Ai; Xiao, Xiao; Chen, Fen-Er","New conformationally flexible and recyclable aryl iodine catalysts from an inexpensive chiral source for asymmetric oxidations","Green Chemistry","2023","25","24","10447","10457","10.1039/D3GC02429F","","","0.71073","MoKα","","0.0724","0.0439","","","0.1027","0.1185","","","","","","1.035","","","","has coordinates,has disorder","288816","2024-01-06","08:21:49",""
"7247577","10.807","0.0006","11.9118","0.0007","12.0215","0.0007","118.315","0.001","98.197","0.002","98.075","0.002","1309.44","0.13","273.15","","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H19 N5 O4 Zn -","- C31 H19 N5 O4 Zn -","- C62 H38 N10 O8 Zn2 -","2","1","","Li, Ya-Ping; Zhang, Jian-Hua; Zhang, Xiao-Xia; Liu, Sui-Jun","2D → 3D polycatenated Zn(ii) metal–organic framework with good chemical stability as a fluorescent sensor toward salicylaldehyde, acetylacetone and H2PO4−","CrystEngComm","2023","25","46","6424","6433","10.1039/D3CE00961K","","","0.71073","MoKα","","0.1473","0.0735","","","0.1679","0.2099","","","","","","1.027","","","","has coordinates,has disorder","288783","2024-01-06","07:56:14",""
"7247578","7.5418","0.0003","11.3152","0.0004","12.9845","0.0005","90","","96.939","0.001","90","","1099.94","0.07","142","2","142","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 N2 O2 S2 -","- C9 H10 N2 O2 S2 -","- C36 H40 N8 O8 S8 -","4","1","","Pal, Satyajit; Sarkar, Subhankar; Mukherjee, Anindita; Kundu, Anupam; Sen, Animesh; Rath, Jnanendra; Santra, Sougata; Zyryanov, Grigory V.; Majee, Adinath","Metal-free, tert-butyl nitrite promoted C(sp2)–S coupling reaction: the synthesis of aryl dithiocarbamates and analysis of antimicrobial activity by ‘in silico’ and ‘in vitro’ methods for drug modification","Green Chemistry","2023","25","23","9847","9856","10.1039/D3GC03153E","","","0.71073","MoKα","","0.0669","0.0475","","","0.1383","0.1668","","","","","","1.023","","","","has coordinates","288822","2024-01-06","08:24:46",""
"7247579","4.83768","0.00017","14.8178","0.0005","20.0275","0.0006","90","","95.964","0.003","90","","1427.88","0.08","99.9","0.8","99.9","0.8","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 O6 -","- C15 H14 N2 O6 -","- C60 H56 N8 O24 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0649","0.0568","","","0.1666","0.1731","","","","","","1.092","","","","has coordinates","288773","2024-01-06","07:53:45",""
"7247580","4.7204","0.0001","21.155","0.0005","15.1364","0.0003","90","","92.616","0.002","90","","1509.95","0.06","100","0.1","100","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Br N O4 -","- C15 H16 Br N O4 -","- C60 H64 Br4 N4 O16 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0491","0.0441","","","0.1075","0.1102","","","","","","1.067","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247581","4.4714","0.0001","9.3275","0.0002","17.7797","0.0005","90","","90.109","0.002","90","","741.54","0.03","100","0.1","100","0.1","","","","","","","","5","P 1 c 1","P -2yc","7","","","","- C15 H15 N O7 S -","- C15 H15 N O7 S -","- C30 H30 N2 O14 S2 -","2","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0265","0.026","","","0.0708","0.0711","","","","","","1.073","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247582","4.7037","0.0001","20.9656","0.0003","14.8427","0.0002","90","","92.196","0.001","90","","1462.65","0.04","100","0.13","100","0.13","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 Cl N O4 -","- C15 H16 Cl N O4 -","- C60 H64 Cl4 N4 O16 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.046","0.0392","","","0.0992","0.1029","","","","","","1.044","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247583","7.9912","0.0001","21.7863","0.0002","9.0403","0.0001","90","","100.091","0.001","90","","1549.56","0.03","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N O7 P -","- C15 H16 N O7 P -","- C60 H64 N4 O28 P4 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0293","0.0284","","","0.0736","0.0742","","","","","","1.066","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247584","3.89223","0.00004","10.76523","0.0001","15.40737","0.00014","109.037","0.0008","94.011","0.0008","90.8565","0.0008","608.291","0.011","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C30 H26 N2 O6 -","2","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0353","0.0337","","","0.0934","0.0944","","","","","","1.086","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247585","3.82566","0.00003","15.0716","0.00006","21.1995","0.00009","90","","92.4431","0.0005","90","","1221.23","0.012","100.01","0.1","100.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C60 H52 N4 O12 -","4","1","","Sobczak, Paulina; Sierański, Tomasz; Świątkowski, Marcin; Trzęsowska-Kruszyńska, Agata","New Schiff base salts as sources of blue and green light in the solid state: the role of the anion and protonation","CrystEngComm","2023","25","44","6185","6193","10.1039/D3CE00758H","","x-ray","1.54184","CuKα","","0.0346","0.0339","","","0.0887","0.0893","","","","","","1.057","","","","has coordinates","288773","2024-01-06","07:53:46",""
"7247586","30.4965","0.0011","7.825","0.0002","23.6797","0.0008","90","","94.921","0.002","90","","5630","0.3","301","2","301","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H64 N16 Sb4 Se10 Zn4 -","- C24 H64 N16 Sb4 Se10 Zn4 -","- C96 H256 N64 Sb16 Se40 Zn16 -","4","0.5","","Zhang, Lirong; Zhao, Huiling; Liu, Xin; Teri, Gele; Baiyin, Menghe","Syntheses, crystal structure, and photoelectric properties of two Zn-based chalcogenidoantimonates Zn-Sb-Q (Q = S, Se).","Physical chemistry chemical physics : PCCP","2023","25","43","29709","29717","10.1039/d3cp04074g","","","0.71073","MoKα","","0.11","0.0418","","","0.0642","0.0874","","","","","","1.076","","","","has coordinates","288905","2024-01-06","09:53:19",""
"7247587","25.9513","0.0011","25.9513","0.0011","9.8863","0.0007","90","","90","","90","","6658.1","0.6","273.15","","273.15","","","","","","","","","6","I 41/a :2","-I 4ad","88","","","","- C16 H48 N10 S6 Sb2 Zn2 -","- C16 H48 N10 S6 Sb2 Zn2 -","- C128 H384 N80 S48 Sb16 Zn16 -","8","0.5","","Zhang, Lirong; Zhao, Huiling; Liu, Xin; Teri, Gele; Baiyin, Menghe","Syntheses, crystal structure, and photoelectric properties of two Zn-based chalcogenidoantimonates Zn-Sb-Q (Q = S, Se).","Physical chemistry chemical physics : PCCP","2023","25","43","29709","29717","10.1039/d3cp04074g","","","0.71073","MoKα","","0.0577","0.0472","","","0.1145","0.1207","","","","","","1.09","","","","has coordinates","288905","2024-01-06","09:53:28",""
"7247591","6.9004","0.0007","10.5029","0.0011","15.8453","0.0017","95.066","0.004","92.516","0.004","100.761","0.003","1121.6","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 N2 O7 -","- C25 H28 N2 O7 -","- C50 H56 N4 O14 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0414","0.0375","","","0.104","0.1075","","","","","","1.058","","","","has coordinates","288774","2024-01-06","07:53:56",""
"7247592","7.0715","0.001","10.4603","0.0014","15.71","0.002","95.12","0.004","94.102","0.005","99.743","0.004","1136.3","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H28 N2 O8 -","- C25 H28 N2 O8 -","- C50 H56 N4 O16 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0501","0.0462","","","0.1347","0.1389","","","","","","1.131","","","","has coordinates,has disorder","288774","2024-01-06","07:53:57",""
"7247593","7.0766","0.0014","10.505","0.002","15.939","0.003","95.513","0.006","93.85","0.006","100.486","0.005","1155.4","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O7 -","- C26 H30 N2 O7 -","- C52 H60 N4 O14 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0389","0.0381","","","0.1028","0.104","","","","","","1.058","","","","has coordinates,has disorder","288774","2024-01-06","07:53:57",""
"7247594","10.8801","0.0012","12.8327","0.0014","13.3727","0.0014","90","","93.49","0.004","90","","1863.6","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.035","0.035","","","0.0874","0.0874","","","","","","1.039","","","","has coordinates","288774","2024-01-06","07:53:57",""
"7247595","6.6173","0.0006","13.6049","0.0011","20.3294","0.0017","90","","90","","90","","1830.2","0.3","100","2","100","2","","","","","","","","4","C m c m","-C 2c 2","63","","","","- C22 H22 N2 O6 -","- C22 H22 N2 O6 -","- C88 H88 N8 O24 -","4","0.25","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0403","0.0389","","","0.1129","0.1149","","","","","","1.101","","","","has coordinates","288774","2024-01-06","07:53:57",""
"7247596","7.1643","0.0012","9.8755","0.0016","17.073","0.003","84.131","0.005","85.474","0.005","72.254","0.005","1143","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H30 N2 O6 -","- C26 H30 N2 O6 -","- C52 H60 N4 O12 -","2","1","","Kawahata, Masatoshi; Yamamoto, Haruka; Tominaga, Masahide; Yamaguchi, Kentaro","Multiple intermolecular interactions in guest inclusion by acyclic host compounds","CrystEngComm","2023","25","44","6137","6143","10.1039/D3CE00775H","","","1.54178","CuKα","","0.0362","0.0342","","","0.0905","0.092","","","","","","1.055","","","","has coordinates","288774","2024-01-06","07:53:57",""
"7247597","9.7285","0.0009","9.8676","0.0009","16.7911","0.0015","90","","97.648","0.003","90","","1597.6","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H36 Cl2 Co N12 O14 -","- C18 H36 Cl2 Co N12 O14 -","- C36 H72 Cl4 Co2 N24 O28 -","2","0.5","","Kuang, Baolong; Wang, Tingwei; Zhang, Chao; Zhang, Han; Lu, Zujia; Xie, Zhiming; Xu, Meiqi; Yi, Zhenxin; Zhang, Jianguo","2-Imidazolidone metal complexes: increased hydrogen bonds and fused ring ligand ratio to be insensitive","CrystEngComm","2023","25","46","6449","6454","10.1039/D3CE00891F","","","0.71073","MoKα","","0.0891","0.0601","","","0.1629","0.1798","","","","","","1.061","","","","has coordinates,has disorder","288785","2024-01-06","07:56:31",""
"7247598","7.4339","0.0007","8.4275","0.0008","9.0714","0.0008","87.583","0.003","78.69","0.002","77.157","0.002","543.34","0.09","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H24 Cl2 Cu N8 O12 -","- C12 H24 Cl2 Cu N8 O12 -","- C12 H24 Cl2 Cu N8 O12 -","1","0.5","","Kuang, Baolong; Wang, Tingwei; Zhang, Chao; Zhang, Han; Lu, Zujia; Xie, Zhiming; Xu, Meiqi; Yi, Zhenxin; Zhang, Jianguo","2-Imidazolidone metal complexes: increased hydrogen bonds and fused ring ligand ratio to be insensitive","CrystEngComm","2023","25","46","6449","6454","10.1039/D3CE00891F","","","0.71073","MoKα","","0.0838","0.078","","","0.211","0.2183","","","","","","1.092","","","","has coordinates,has disorder","288785","2024-01-06","07:56:31",""
"7247599","11.3155","0.0001","17.9907","0.0002","20.6727","0.0002","90","","98.456","0.001","90","","4162.67","0.07","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49 H47 F6 Fe -","- C46 H40 F6 Fe -","- C184 H160 F24 Fe4 -","4","1","","Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","In the pursuit of a ‘disappearing’ anhydrous phase of the antipyrine–dipicolinic acid (ANT–DPA) co-crystal: explained through relative stability and charge density analyses","CrystEngComm","2023","25","46","6478","6488","10.1039/D3CE00591G","","x-ray","1.54184","CuKα","","0.0365","0.035","","","0.0968","0.0983","","","","","","1.051","","","","has coordinates,has disorder","288786","2024-01-06","07:56:39",""
"7247600","18.4087","0.0001","8.0394","0.0007","23.69","0.002","90","","91.284","0.004","90","","3505.1","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N3 O6 -","- C18 H19 N3 O6 -","- C144 H152 N24 O48 -","8","1","","Akram, Sehrish; Mehmood, Arshad; Noureen, Sajida; Ahmed, Maqsood","In the pursuit of a ‘disappearing’ anhydrous phase of the antipyrine–dipicolinic acid (ANT–DPA) co-crystal: explained through relative stability and charge density analyses","CrystEngComm","2023","25","46","6478","6488","10.1039/D3CE00591G","","x-ray","0.71073","MoKα","","0.0798","0.0569","","","0.0896","0.0918","","","","","","0.646","","","","has coordinates","288786","2024-01-06","07:56:40",""
"7247601","6.447","0.0015","10.416","0.003","11.367","0.003","82.665","0.01","87.026","0.01","72.301","0.009","721.2","0.3","298","2","298","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H44 N2 O2 -","- C30 H44 N2 O2 -","- C30 H44 N2 O2 -","1","0.5","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.1117","0.0645","","","0.1514","0.177","","","","","","1.028","","","","has coordinates","288784","2024-01-06","07:56:24",""
"7247602","10.1433","0.0012","11.0854","0.0013","15.0978","0.0018","87.297","0.005","78.914","0.005","89.006","0.005","1664","0.3","301","","301","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H52 N2 O2 -","- C34 H52 N2 O2 -","- C68 H104 N4 O4 -","2","1","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.1377","0.0888","","","0.2633","0.3116","","","","","","1.033","","","","has coordinates","288784","2024-01-06","07:56:24",""
"7247603","18.8769","0.0008","6.1559","0.0002","26.9215","0.0011","90","","106.511","0.003","90","","2999.4","0.2","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 N2 O2 -","- C32 H48 N2 O2 -","- C128 H192 N8 O8 -","4","0.5","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.0583","0.0512","","","0.1326","0.1405","","","","","","1.04","","","","has coordinates","288784","2024-01-06","07:56:24",""
"7247604","10.9128","0.0012","10.0522","0.0009","29.338","0.003","90","","90.55","0.004","90","","3218.2","0.6","298","2","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H50 N2 O2 -","- C33 H50 N2 O2 -","- C132 H200 N8 O8 -","4","1","","Manoharan, Deepak; Ahmad, Shamim; Tothadi, Srinu; Emmerling, Franziska; Bhattacharya, Biswajit; Ghosh, Soumyajit","Linker size dependent mechanical properties of di-imine based molecular crystals","CrystEngComm","2023","25","46","6416","6423","10.1039/D3CE00928A","","","0.71073","MoKα","","0.1355","0.0868","","","0.2487","0.3022","","","","","","1.031","","","","has coordinates,has disorder","288784","2024-01-06","07:56:24",""
"7247605","21.1054","0.001","11.235","0.0003","24.6803","0.0012","90","","106.321","0.005","90","","5616.3","0.4","240","0.1","240","0.1","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C32 H28 Br O4 P -","- C32 H28 Br O4 P -","- C256 H224 Br8 O32 P8 -","8","2","","Li, Chaoyang; Niu, Xinyue; Xu, Wan; Bu, Zhanwei; Zhang, Wenjing; Wang, Qilin","Distinct reactivities of ortho-chalcone-substituted organophosphines with activated alkynes: skeletal editing or periphery modification","Green Chemistry","2023","25","24","10587","10595","10.1039/D3GC03165A","","x-ray","1.54184","CuKα","","0.1087","0.0807","","","0.2286","0.2568","","","","","","1.043","","","","has coordinates,has disorder","288817","2024-01-06","08:22:01",""
"7247606","9.7322","0.0016","10.0029","0.0016","12.561","0.002","89.918","0.004","88.573","0.004","81.09","0.004","1207.7","0.3","296.15","","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H23 Cl N O2 P -","- C30 H23 Cl N O2 P -","- C60 H46 Cl2 N2 O4 P2 -","2","1","","Li, Chaoyang; Niu, Xinyue; Xu, Wan; Bu, Zhanwei; Zhang, Wenjing; Wang, Qilin","Distinct reactivities of ortho-chalcone-substituted organophosphines with activated alkynes: skeletal editing or periphery modification","Green Chemistry","2023","25","24","10587","10595","10.1039/D3GC03165A","","","0.71073","MoKα","","0.132","0.0581","","","0.0897","0.1155","","","","","","1.04","","","","has coordinates","288817","2024-01-06","08:22:03",""
"7247607","14.9304","0.0002","9.0992","0.0001","21.2031","0.0003","90","","106.572","0.002","90","","2760.89","0.07","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H26 Cl O5 P -","- C33 H26 Cl O5 P -","- C132 H104 Cl4 O20 P4 -","4","1","","Li, Chaoyang; Niu, Xinyue; Xu, Wan; Bu, Zhanwei; Zhang, Wenjing; Wang, Qilin","Distinct reactivities of ortho-chalcone-substituted organophosphines with activated alkynes: skeletal editing or periphery modification","Green Chemistry","2023","25","24","10587","10595","10.1039/D3GC03165A","","x-ray","1.54184","CuKα","","0.0399","0.0367","","","0.0987","0.1008","","","","","","1.053","","","","has coordinates","288817","2024-01-06","08:22:07",""
"7247608","14.38","0.0005","15.4793","0.0007","17.346","0.0006","101.507","0.003","108.532","0.003","108.298","0.004","3278.1","0.3","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H40 Br2 O2 P2 -","- C54 H40 Br2 O2 P2 -","- C162 H120 Br6 O6 P6 -","3","1.5","","Li, Chaoyang; Niu, Xinyue; Xu, Wan; Bu, Zhanwei; Zhang, Wenjing; Wang, Qilin","Distinct reactivities of ortho-chalcone-substituted organophosphines with activated alkynes: skeletal editing or periphery modification","Green Chemistry","2023","25","24","10587","10595","10.1039/D3GC03165A","","x-ray","1.54184","CuKα","","0.0753","0.0534","","","0.1433","0.1573","","","","","","1.038","","","","has coordinates,has disorder","288817","2024-01-06","08:22:14",""
"7247616","22.3235","0.0011","11.7383","0.0005","7.558","0.0004","90","","92.989","0.002","90","","1977.8","0.17","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H10 N2 -","- C12 H10 N2 -","- C96 H80 N16 -","8","2","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0541","0.0433","","","0.1181","0.1273","","","","","","1.064","","","","has coordinates","288084","2023-12-06","15:07:29",""
"7247617","7.799","0.002","18.295","0.004","8.984","0.002","90","","93.931","0.014","90","","1278.8","0.5","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Ag N3 O4 -","- C12 H12 Ag N3 O4 -","- C48 H48 Ag4 N12 O16 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0274","0.0254","","","0.0647","0.066","","","","","","1.098","","","","has coordinates","288084","2023-12-06","15:08:46",""
"7247618","7.7806","0.0015","18.88","0.005","9.48","0.003","90","","96.15","0.014","90","","1384.6","0.6","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 Ag B F4 N2 O -","- C12 H12 Ag B F4 N2 O -","- C48 H48 Ag4 B4 F16 N8 O4 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0402","0.0333","","","0.0926","0.0958","","","","","","1.06","","","","has coordinates","288084","2023-12-06","15:09:16",""
"7247619","12.102","0.004","6.6333","0.0011","17.915","0.004","90","","90","","90","","1438.1","0.6","295","2","295","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C12 H10 Ag F6 N2 Sb -","- C12 H10 Ag F5.9998 N2 Sb -","- C48 H40 Ag4 F23.9992 N8 Sb4 -","4","0.5","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0226","0.0197","","","0.0502","0.0509","","","","","","1.123","","","","has coordinates,has disorder","288084","2023-12-06","15:09:34",""
"7247620","36.304","0.01","5.3887","0.0009","15.575","0.004","90","","110.695","0.016","90","","2850.4","1.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H10 Ag F3 N2 O2 -","- C14 H10 Ag F3 N2 O2 -","- C112 H80 Ag8 F24 N16 O16 -","8","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0292","0.0262","","","0.0661","0.0686","","","","","","1.056","","","","has coordinates,has disorder","288084","2023-12-06","15:09:46",""
"7247621","6.6106","0.0009","17.709","0.002","12.3217","0.0017","90","","94.626","0.004","90","","1437.8","0.3","295","2","295","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 Ag F3 N2 O3 S -","- C13 H10 Ag F3 N2 O3 S -","- C52 H40 Ag4 F12 N8 O12 S4 -","4","1","","Baig, K. Mohamed Yusuf; Kole, Goutam Kumar","Silver(i) coordination polymers of trans-5-styrylpyrimidine – from structural diversity to solid-state reactivity under sunlight","CrystEngComm","2023","25","44","6204","6214","10.1039/D3CE00756A","","","0.71073","MoKα","","0.0349","0.0303","","","0.0729","0.0742","","","","","","1.106","","","","has coordinates,has disorder","288084","2023-12-06","15:10:01",""
"7247622","19.0792","0.0008","7.8359","0.0004","19.193","0.0009","90","","94.076","0.001","90","","2862.1","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H7.5 N2 O1.75 -","- C7 H7.5 N2 O1.75 -","- C112 H120 N32 O28 -","16","4","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0821","0.0501","","","0.1005","0.1131","","","","","","1.042","","","","has coordinates","295862","2024-11-09","12:08:12",""
"7247623","13.2616","0.0004","16.7698","0.0006","16.9393","0.0006","118.495","0.001","93.043","0.001","103.059","0.001","3167.76","0.19","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C56 H50 Cl6 N16 O9 Yb2 -","- C56 H50 Cl6 N16 O9 Yb2 -","- C112 H100 Cl12 N32 O18 Yb4 -","2","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0832","0.0446","","","0.0743","0.0852","","","","","","1.036","","","","has coordinates","288809","2024-01-06","08:06:10",""
"7247624","8.6982","0.0005","11.0452","0.0006","13.7542","0.0008","90","","106.867","0.002","90","","1264.57","0.12","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H10 Cu N4 O2 -","- C14 H10 Cu N4 O2 -","- C56 H40 Cu4 N16 O8 -","4","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0684","0.0403","","","0.0788","0.0892","","","","","","1.029","","","","has coordinates","288809","2024-01-06","08:06:20",""
"7247625","8.4097","0.0003","10.7232","0.0004","13.8568","0.0005","79.116","0.001","80.131","0.001","79.915","0.001","1195.72","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C42 H36 Cl6 Eu2 N12 O6 -","- C42 H36 Cl6 Eu2 N12 O6 -","- C42 H36 Cl6 Eu2 N12 O6 -","1","0.5","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0454","0.0331","","","0.0603","0.0644","","","","","","1.078","","","","has coordinates,has disorder","288809","2024-01-06","08:06:23",""
"7247626","8.5699","0.0004","11.7452","0.0006","14.2218","0.0007","78.654","0.001","77.154","0.001","70.806","0.001","1306.15","0.11","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Eu N9 O12 -","- C21 H18 Eu N9 O12 -","- C42 H36 Eu2 N18 O24 -","2","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0169","0.0159","","","0.0378","0.0381","","","","","","1.169","","","","has coordinates","288809","2024-01-06","08:06:23",""
"7247627","8.5744","0.0003","11.7399","0.0004","14.2153","0.0005","78.681","0.001","77.157","0.001","70.824","0.001","1305.88","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Gd N9 O12 -","- C21 H18 Gd N9 O12 -","- C42 H36 Gd2 N18 O24 -","2","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.0192","0.0174","","","0.0379","0.0384","","","","","","1.114","","","","has coordinates","288809","2024-01-06","08:06:24",""
"7247628","12.4309","0.0006","10.4129","0.0005","13.1342","0.0006","90","","104.761","0.002","90","","1644","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 Cu2 N4 O4 -","- C16 H16 Cu2 N4 O4 -","- C64 H64 Cu8 N16 O16 -","4","1","","Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.","Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide","CrystEngComm","2023","25","45","6371","6378","10.1039/D3CE00985H","","","0.71073","MoKα","","0.1063","0.0632","","","0.0991","0.1104","","","","","","1.102","","","","has coordinates","288809","2024-01-06","08:06:24",""
"7247629","7.7383","0.0004","11.5787","0.0007","14.7269","0.0012","90","","90","","90","","1319.52","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C8 H8 Br3 N Pb S -","- C8 H8 Br3 N Pb S -","- C32 H32 Br12 N4 Pb4 S4 -","4","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.0852","0.0491","","","0.1027","0.1111","","","","","","0.916","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247630","17.703","0.001","7.827","0.0003","20.1031","0.0011","90","","90","","90","","2785.5","0.2","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C9 H10 Br3 N Pb S -","- C9 H10 Br3 N Pb S -","- C72 H80 Br24 N8 Pb8 S8 -","8","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1258","0.0667","","","0.1294","0.1604","","","","","","0.911","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247631","22.601","0.002","7.8074","0.0007","24.284","0.002","90","","90","","90","","4285","0.6","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C19 H18 Br3 P Pb -","- C19 H18 Br3 P Pb -","- C152 H144 Br24 P8 Pb8 -","8","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1174","0.0708","","","0.1525","0.1775","","","","","","1.044","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247632","22.297","0.0012","7.948","0.0004","25.2706","0.0011","90","","90","","90","","4478.4","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C20 H20 Br3 P Pb -","- C20 H20 Br3 P Pb -","- C160 H160 Br24 P8 Pb8 -","8","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1182","0.0499","","","0.0769","0.1022","","","","","","0.996","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247633","8.8791","0.0004","21.8322","0.0014","17.9977","0.001","90","","91.913","0.005","90","","3486.9","0.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 Br8 N2 Pb3 S2 -","- C20 H24 Br8 N2 Pb3 S2 -","- C80 H96 Br32 N8 Pb12 S8 -","4","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.1354","0.0707","","","0.1343","0.1591","","","","","","0.88","","","","has coordinates,has disorder","288789","2024-01-06","07:57:05",""
"7247634","13.3422","0.0012","8.1688","0.0008","21.4738","0.0018","90","","95.977","0.008","90","","2327.7","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Br3 P Pb -","- C21 H22 Br3 P Pb -","- C84 H88 Br12 P4 Pb4 -","4","1","","Gao, Cheng-Cheng; Tang, Xue-Na; Miao, Jing-Ling; Li, Yu; Li, Cuncheng; Liu, Guang-Ning","Regulating the crystal and electronic structures and optical properties of hybrid bromoplumbates with alkylated N, S- or P-containing aromatic cations","CrystEngComm","2023","25","47","6556","6567","10.1039/D3CE00931A","","x-ray","0.71073","MoKα","","0.0686","0.037","","","0.0581","0.0673","","","","","","0.977","","","","has coordinates","288789","2024-01-06","07:57:05",""
"7247635","15.6685","0.0007","3.7842","0.0001","10.8705","0.0005","90","","108.658","0.005","90","","610.67","0.05","150","2","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,5-di(pyridin-4-yl)thiazolo[5,4-d]thiazole","","- C14 H8 N4 S2 -","- C14 H8 N4 S2 -","- C28 H16 N8 S4 -","2","0.5","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","1.54178","CuKα","","0.0353","0.0345","","","0.0947","0.0952","","","","","","1.093","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247636","8.4275","0.0006","6.304","0.0004","11.748","0.0007","90","","93.544","0.006","90","","622.94","0.07","150.15","","150.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 N4 S2 -","- C14 H8 N4 S2 -","- C28 H16 N8 S4 -","2","0.5","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","0.71073","MoKα","","0.0531","0.0418","","","0.1004","0.1072","","","","","","1.077","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247637","14.728","0.007","15.36","0.05","15.369","0.008","93.63","0.07","113.88","0.04","91.64","0.05","3167","11","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H40 N12 O8 S6 Zn2 -","- C70 H40 N12 O8 S6 Zn2 -","- C140 H80 N24 O16 S12 Zn4 -","2","1","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","0.71073","MoKα","","0.098","0.0913","","","0.2451","0.2485","","","","","","1.166","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247638","17.1947","0.0002","18.5446","0.0002","15.7154","0.0002","90","","100.974","0.001","90","","4919.52","0.1","150","2","150.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 N10 O10 S6 Zn2 -","- C46 H34 N10 O10 S6 Zn2 -","- C184 H136 N40 O40 S24 Zn8 -","4","1","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","1.54178","CuKα","","0.0819","0.073","","","0.1754","0.1796","","","","","","1.076","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247639","32.53","0.02","8.664","0.003","22.1","0.02","90","","96.56","0.02","90","","6188","7","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C28 H16 N4 O5 S2 Zn -","- C28 H16 N4 O5 S2 Zn -","- C224 H128 N32 O40 S16 Zn8 -","8","1","","Rizzuto, Felix J.; Pal, Shyam C.; Kearns, Eleanor R.; Hua, Carol; Solomon, Marcello B.; Doheny, Patrick W.; Faust, Thomas B.; Kepert, Cameron J.; Das, Madhab C.; D'Alessandro, Deanna M.","The physical and electronic properties of Metal–Organic Frameworks containing dipyridylthiazolo[5,4-d]thiazole","CrystEngComm","2023","25","46","6434","6440","10.1039/D3CE00541K","","","0.71073","MoKα","","0.0367","0.0316","","","0.0838","0.0859","","","","","","1.058","","","","has coordinates","288781","2024-01-06","07:55:56",""
"7247640","4.6413","0.0003","16.1899","0.0014","8.557","0.004","90","","91.691","0.013","90","","642.7","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 D3 F3 O -","- C2 D3 F3 O -","- C16 D24 F24 O8 -","8","2","","Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R.","The rich structural phase behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2023","25","45","6291","6302","10.1039/D3CE00737E","","","0.4859","Synchrotron","","0.1064","0.0693","","","0.1807","0.2122","","","","","","1.06","","","","has coordinates","288810","2024-01-06","08:06:33",""
"7247641","4.654","0.0003","16.259","0.0018","8.577","0.004","90","","91.615","0.013","90","","648.8","0.3","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trifluoroethanol","2,2,2-Trifluoroethanol","","- C2 D3 F3 O -","- C2 D3 F3 O -","- C16 D24 F24 O8 -","8","2","","Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R.","The rich structural phase behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2023","25","45","6291","6302","10.1039/D3CE00737E","","","0.4859","Synchrotron","","0.1012","0.0781","","","0.2013","0.2327","","","","","","1.082","","","","has coordinates","288810","2024-01-06","08:06:36",""
"7247642","4.863","0.0004","33.054","0.007","8.8694","0.0014","90","","91.519","0.009","90","","1425.2","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Trifluoroethanol","2,2,2-Trifluoroethanol-D","","- C2 D3 F3 O -","- C2 D3 F3 O -","- C32 D48 F48 O16 -","16","4","","Barnett, S. A.; Bull, C. L.; Funnell, N. P.; Allan, D. R.","The rich structural phase behaviour of 2,2,2-trifluoroethanol","CrystEngComm","2023","25","45","6291","6302","10.1039/D3CE00737E","","","0.4859","Synchrotron","","0.1288","0.0556","","","0.1608","0.2279","","","","","","1.027","","","","has coordinates","288810","2024-01-06","08:06:36",""
"7247643","7.712","0.0015","7.481","0.0015","11.062","0.002","90","","108.44","0.03","90","","605.4","0.2","100","","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","N3-protonated Cytidine nitrate","","- C9 H14 N4 O8 -","- C9 H14 N4 O8 -","- C18 H28 N8 O16 -","2","1","","Wu, Qiong; Chai, Yingying; Huang, Ridong; Chen, Hai; He, Yang","A linear CH±-NO3− base pair motif promoted by AgNO3 mediated proton transfer between guanosine and cytidine","CrystEngComm","2023","25","47","6549","6555","10.1039/D3CE00916E","","","0.71073","MoKα","","0.0314","0.0311","","","0.0838","0.0843","","","","","","1.075","","","","has coordinates","288794","2024-01-06","07:59:31",""
"7247644","4.6969","0.0003","15.1122","0.0011","17.3305","0.0012","90","","90","","90","","1230.13","0.15","100","","100","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Cytidine and silver nitrate","","- C9 H13 Ag N4 O8 -","- C9 H13 Ag N4 O8 -","- C36 H52 Ag4 N16 O32 -","4","1","","Wu, Qiong; Chai, Yingying; Huang, Ridong; Chen, Hai; He, Yang","A linear CH±-NO3− base pair motif promoted by AgNO3 mediated proton transfer between guanosine and cytidine","CrystEngComm","2023","25","47","6549","6555","10.1039/D3CE00916E","","","0.72929","synchrotron","","0.0372","0.0358","","","0.1124","0.1146","","","","","","1.162","","","","has coordinates","288794","2024-01-06","07:59:31",""
"7247645","10.0114","0.0003","16.1179","0.0005","11.3898","0.0004","90","","120.466","0.002","90","","1584.13","0.09","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 Co F6 N4 O6 -","- C24 H38 Co F6 N4 O6 -","- C48 H76 Co2 F12 N8 O12 -","2","0.5","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.0705","0.0384","","","0.0787","0.0856","","","","","","0.922","","","","has coordinates,has disorder","288775","2024-01-06","07:54:10",""
"7247646","9.9328","0.0006","15.9853","0.0011","11.4746","0.0007","90","","120.609","0.003","90","","1568.06","0.18","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H38 F6 N4 Ni O6 -","- C24 H38 F6 N4 Ni O6 -","- C48 H76 F12 N8 Ni2 O12 -","2","0.5","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.0789","0.0428","","","0.0898","0.0975","","","","","","0.941","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247647","8.9504","0.0011","15.8017","0.0018","11.5358","0.0017","90","","118.8","0.004","90","","1429.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H34 F6 N4 Ni O6 -","- C22 H34 F6 N4 Ni O6 -","- C44 H68 F12 N8 Ni2 O12 -","2","0.5","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","1.54178","CuKα","","0.033","0.032","","","0.0903","0.0915","","","","","","1.032","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247648","18.333","0.004","15.836","0.003","11.701","0.002","90","","120.036","0.008","90","","2940.9","1","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 Co0.5 F6 N4 Ni0.5 O6 -","- C23 H36 Co0.5 F6 N4 Ni0.5 O6 -","- C92 H144 Co2 F24 N16 Ni2 O24 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.1951","0.0592","","","0.1539","0.1958","","","","","","0.837","","","","has coordinates,has disorder","288775","2024-01-06","07:54:10",""
"7247649","18.514","0.004","15.792","0.003","11.787","0.002","90","","120.86","0.03","90","","2958.3","1.4","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 Co F6 N4 O6 -","- C23 H36 Co F6 N4 O6 -","- C92 H144 Co4 F24 N16 O24 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.1077","0.0427","","","0.1222","0.1678","","","","","","0.698","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247650","18.564","0.004","15.699","0.003","11.768","0.002","90","","120.67","0.03","90","","2949.9","1.3","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H36 F6 N4 Ni O6 -","- C23 H36 F6 N4 Ni O6 -","- C92 H144 F24 N16 Ni4 O24 -","4","1","","Ovcharenko, Victor; Fursova, Elena; Letyagin, Gleb; Morozov, Vitaly; Bogomyakov, Artem; Romanenko, Galina","Alternating [ML2(MeOH)2] and [ML2(EtOH)2] layers in low-temperature ferromagnets [ML2(MeOH)2][ML2(EtOH)2] (M = CoII, NiII or CoII0.5NiII0.5)","CrystEngComm","2023","25","44","6194","6203","10.1039/D3CE00912B","","","0.71073","MoKα","","0.1172","0.0441","","","0.1031","0.1341","","","","","","0.872","","","","has coordinates","288775","2024-01-06","07:54:10",""
"7247665","71.41","0.1","8.12","0.011","9.297","0.014","90","","91.38","0.04","90","","5389","13","160.15","","160.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tin(IV) dodecanethiolate","","- C48 H100 S4 Sn -","- C48 H100 S4 Sn -","- C192 H400 S16 Sn4 -","4","1","","Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli","Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals","CrystEngComm","2023","25","41","5782","5786","10.1039/D3CE00818E","","","1.54178","CuKα","","0.2569","0.2477","","","0.5687","0.5722","","","","","","1.156","","","","has coordinates","287254","2023-11-04","13:21:02",""
"7247666","81.184","0.004","7.8878","0.0004","9.253","0.0005","90","","91.117","0.001","90","","5924.2","0.5","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Tin(IV) tetradecanethiolate","","- C56 H116 S4 Sn -","- C56 H116 S4 Sn -","- C224 H464 S16 Sn4 -","4","1","","Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli","Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals","CrystEngComm","2023","25","41","5782","5786","10.1039/D3CE00818E","","","1.54178","CuKα","","0.0639","0.062","","","0.1648","0.1673","","","","","","1.186","","","","has coordinates","287254","2023-11-04","13:21:13",""
"7247667","45.6447","0.0014","8.1335","0.0003","9.3171","0.0003","90","","92.133","0.003","90","","3456.6","0.2","100","","298","","","","","","","","","4","P 1 c 1","P -2yc","7","","Tin(IV) hexadecanethiolate","","- C64 H132 S4 Sn -","- C64 H132 S4 Sn -","- C128 H264 S8 Sn2 -","2","1","","Wang, Tingting; Wan, Yixin; Yu, Nan; Gu, Kewei; Lu, Zhiwei; Wang, Junli","Long-chain tin(iv) alkanethiolates (Sn(SCnH2n+1)4, n ≥ 12) with the coexistence of trans and gauche S–C bonds: a class of lamellar van der Waals molecular crystals","CrystEngComm","2023","25","41","5782","5786","10.1039/D3CE00818E","","x-ray","0.71073","MoKα","","0.0846","0.0809","","","0.2176","0.2241","","","","","","1.112","","","","has coordinates","287254","2023-11-04","13:21:22",""
"7247670","20.7416","0.0007","9.9967","0.0003","7.4017","0.0002","90","","107.298","0.003","90","","1465.31","0.08","373","2","373","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H8 I3 N4 S10 -","- C20 H8 I3 N4 S10 -","- C40 H16 I6 N8 S20 -","2","0.25","","Montisci, Fabio; Lanza, Arianna; Fisch, Martin; Sonneville, Camille; Geng, Yan; Decurtins, Silvio; Reber, Christian; Liu, Shi-Xia; Macchi, Piero","High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>.","Physical chemistry chemical physics : PCCP","2023","25","45","31410","31417","10.1039/d3cp04220k","","x-ray","0.71073","MoKα","","0.0519","0.0371","","","0.0958","0.1053","","","","","","1.044","","","","has coordinates","288910","2024-01-06","09:56:57",""
"7247671","20.7153","0.0006","9.9754","0.0003","7.3562","0.0002","90","","107.185","0.002","90","","1452.25","0.07","323","2","323","2","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H8 I3 N4 S10 -","- C20 H8 I3 N4 S10 -","- C40 H16 I6 N8 S20 -","2","0.25","","Montisci, Fabio; Lanza, Arianna; Fisch, Martin; Sonneville, Camille; Geng, Yan; Decurtins, Silvio; Reber, Christian; Liu, Shi-Xia; Macchi, Piero","High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>.","Physical chemistry chemical physics : PCCP","2023","25","45","31410","31417","10.1039/d3cp04220k","","x-ray","0.71073","MoKα","","0.0404","0.0326","","","0.0852","0.0905","","","","","","1.033","","","","has coordinates","288910","2024-01-06","09:57:12",""
"7247672","20.718","0.004","9.96","0.0008","7.3352","0.0008","90","","107.07","0.013","90","","1446.9","0.4","283","8","283","8","","","","","","","","5","C 1 2/m 1","-C 2y","12","","","","- C20 H8 I3 N4 S10 -","- C20 H8 I3 N4 S10 -","- C40 H16 I6 N8 S20 -","2","0.25","","Montisci, Fabio; Lanza, Arianna; Fisch, Martin; Sonneville, Camille; Geng, Yan; Decurtins, Silvio; Reber, Christian; Liu, Shi-Xia; Macchi, Piero","High pressure behaviour of the organic semiconductor salt (TTF-BTD)<sub>2</sub>I<sub>3</sub>.","Physical chemistry chemical physics : PCCP","2023","25","45","31410","31417","10.1039/d3cp04220k","","","0.7107","MoKα","","0.0484","0.031","","","0.0693","0.0737","","","","","","1.024","","","","has coordinates","288910","2024-01-06","09:57:22",""
"7247673","9.2114","0.0004","13.4808","0.0006","14.52","0.0007","76.969","0.002","75.035","0.001","72.648","0.001","1640.93","0.13","120","","120","","","","","","","","","5","P -1","-P 1","2","","NIS-NHAc","","- C18 H18 N2 O S2 -","- C18 H18 N2 O S2 -","- C72 H72 N8 O4 S8 -","4","2","","Xiao, Xiao; Mu, Tong; Sukhanov, Andrey A.; Zhou, Yihang; Yu, Peiran; Yu, Fabiao; Elmali, Ayhan; Zhao, Jianzhang; Karatay, Ahmet; Voronkova, Violeta K.","The effect of thionation of the carbonyl group on the photophysics of compact spiro rhodamine-naphthalimide electron donor-acceptor dyads: intersystem crossing, charge separation, and electron spin dynamics.","Physical chemistry chemical physics : PCCP","2023","25","46","31667","31682","10.1039/d3cp04891h","","","0.71073","MoKα","","0.0875","0.0551","","","0.1271","0.1465","","","","","","1.025","","","","has coordinates","288907","2024-01-06","09:55:29",""
"7247674","10.1465","0.0004","12.0918","0.0006","16.0775","0.0006","71.168","0.001","85.399","0.001","83.566","0.002","1853.15","0.14","120","","120","","","","","","","","","5","P -1","-P 1","2","","Rho-NIS","","- C44 H44 N4 O2 S2 -","- C44 H44 N4 O2 S2 -","- C88 H88 N8 O4 S4 -","2","1","","Xiao, Xiao; Mu, Tong; Sukhanov, Andrey A.; Zhou, Yihang; Yu, Peiran; Yu, Fabiao; Elmali, Ayhan; Zhao, Jianzhang; Karatay, Ahmet; Voronkova, Violeta K.","The effect of thionation of the carbonyl group on the photophysics of compact spiro rhodamine-naphthalimide electron donor-acceptor dyads: intersystem crossing, charge separation, and electron spin dynamics.","Physical chemistry chemical physics : PCCP","2023","25","46","31667","31682","10.1039/d3cp04891h","","","0.71073","MoKα","","0.132","0.0712","","","0.1543","0.1831","","","","","","1.014","","","","has coordinates","288907","2024-01-06","09:55:36",""
"7247675","6.2672","0.0006","14.7584","0.0012","17.2093","0.0013","90","","94.681","0.004","90","","1586.4","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","BNHMP","4-bromo-2-((E)-((Z)-(1-(naphthalen-2-yl)ethylidene)hydrazono)methyl)phenol","","- C19 H15 Br N2 O -","- C19 H15 Br N2 O -","- C76 H60 Br4 N8 O4 -","4","1","","Bhattacharyya, Arghyadeep; Das, Akash; Guchhait, Nikhil","Interrogating the nature of aggregates formed in a model azine based ESIPT coupled AIE active probe: stark differences in photodynamics in the solid state and aggregates in water.","Physical chemistry chemical physics : PCCP","2023","25","46","31702","31713","10.1039/d3cp03603k","","","0.71073","MoKα","","0.0342","0.0278","","","0.0727","0.0758","","","","","","1.069","","","","has coordinates","288908","2024-01-06","09:55:52",""
"7247679","8.716","0.0012","8.716","0.0012","10.946","0.002","90","","90","","120","","720.15","0.19","100.15","","100.15","","","","","","","","","4","R -3 :H","-R 3","148","","Pentachloronitrobenzene","","- C6 Cl5 N O2 -","- C6 Cl4.9998 N1.0002 O2.0004 -","- C18 Cl14.9994 N3.0006 O6.0012 -","3","0.166667","","Gebbia, Jonathan F.; Aristizabal, Andrés Henao; Negrier, Philippe; Aguilà, David; Tamarit, Josep Lluis; Pardo, Luis Carlos","Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation.","Physical chemistry chemical physics : PCCP","2023","25","44","30553","30562","10.1039/d3cp02633g","","","0.72931","synchrotron","","0.0435","0.0429","","","0.1355","0.1371","","","","","","1.107","","","","has coordinates,has disorder","288902","2024-01-06","09:51:40",""
"7247680","8.744","0.0012","8.744","0.0012","11.068","0.002","90","","90","","120","","732.86","0.19","200.15","","200.15","","","","","","","","","4","R -3 :H","-R 3","148","","Pentachloronitrobenzene","","- C6 Cl5 N O2 -","- C6 Cl4.9998 N1.0002 O2.0004 -","- C18 Cl14.9994 N3.0006 O6.0012 -","3","0.166667","","Gebbia, Jonathan F.; Aristizabal, Andrés Henao; Negrier, Philippe; Aguilà, David; Tamarit, Josep Lluis; Pardo, Luis Carlos","Dynamics and local ordering of pentachloronitrobenzene: a molecular-dynamics investigation.","Physical chemistry chemical physics : PCCP","2023","25","44","30553","30562","10.1039/d3cp02633g","","","0.72931","synchrotron","","0.058","0.0543","","","0.1341","0.1395","","","","","","0.882","","","","has coordinates,has disorder","288902","2024-01-06","09:51:50",""
"7247681","13.8174","0.0003","13.8174","0.0003","26.1691","0.0012","90","","90","","120","","4326.9","0.2","170","","170","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C33 H24 In N3 O9 -","- C33 H24 In N3 O9 -","- C198 H144 In6 N18 O54 -","6","0.333333","","Wang, Rui; Jiang, Nan; Luo, Rong; Yu, Hai-Jun; Yin, Yi; Bi, Shuang-Yu; Zhang, Dong-Mei; Shao, Feng","Efficient detection of Al3+ and B4O72− over trigonal prism In(iii) complex","CrystEngComm","2023","25","47","6627","6634","10.1039/D3CE00904A","","","0.71073","MoKα","","0.0369","0.0299","","","0.0598","0.0674","","","","","","1.124","","","","has coordinates","288792","2024-01-06","07:57:35",""
"7247682","10.949","0.0005","11.9806","0.0007","12.0973","0.0006","112.946","0.005","106.988","0.004","99.066","0.004","1329.49","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N8 Ni O11 -","- C22 H26.5 N8 Ni O10.75 -","- C44 H53 N16 Ni2 O21.5 -","2","1","","Roy, Subhadip; Mal, Susital; Banik, Rupak; Das, Subrata; Dlháň, Ľubor; Titiš, Ján; Boča, Roman; Kirillov, Alexander M.; Novikov, Alexander S.; Hazendonk, Paul; Butcher, Ray J.; Bauza, Antonio; Frontera, Antonio","Two isostructural complexes of Ni(ii) and Zn(ii) with violurate and pyridine: a detailed structural, theoretical, magnetic, and NMR investigation","CrystEngComm","2023","25","46","6503","6511","10.1039/D3CE00871A","","","1.54184","CuKα","","0.0379","0.0326","","","0.0824","0.0861","","","","","","1.046","","","","has coordinates,has disorder","288787","2024-01-06","07:56:47",""
"7247683","11.1064","0.0009","12.1528","0.0011","12.3032","0.0012","113.663","0.009","106.663","0.008","98.98","0.007","1385.8","0.3","123","2","123","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H28 N8 O11 Zn -","- C22 H26 N8 O10 Zn -","- C44 H52 N16 O20 Zn2 -","2","1","","Roy, Subhadip; Mal, Susital; Banik, Rupak; Das, Subrata; Dlháň, Ľubor; Titiš, Ján; Boča, Roman; Kirillov, Alexander M.; Novikov, Alexander S.; Hazendonk, Paul; Butcher, Ray J.; Bauza, Antonio; Frontera, Antonio","Two isostructural complexes of Ni(ii) and Zn(ii) with violurate and pyridine: a detailed structural, theoretical, magnetic, and NMR investigation","CrystEngComm","2023","25","46","6503","6511","10.1039/D3CE00871A","","","0.71073","MoKα","","0.1111","0.0638","","","0.1304","0.1583","","","","","","1.016","","","","has coordinates,has disorder","288787","2024-01-06","07:56:47",""
"7247685","16.1956","0.0004","7.178","0.0002","7.2126","0.0002","90","","100.097","0.002","90","","825.49","0.04","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C8 H20 Cl4 Mn N2 O4 -","- C8 H20 Cl4 Mn N2 O4 -","- C16 H40 Cl8 Mn2 N4 O8 -","2","0.5","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.022","0.0199","","","0.0502","0.0512","","","","","","1.129","","","","has coordinates","288795","2024-01-06","07:59:40",""
"7247686","21.3208","0.0014","7.0794","0.0004","11.144","0.0006","90","","107.916","0.002","90","","1600.49","0.16","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C6 H20 Cl4 Mn N2 O6 -","- C6 H20 Cl4 Mn N2 O6 -","- C24 H80 Cl16 Mn4 N8 O24 -","4","0.5","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.0206","0.0182","","","0.0458","0.0467","","","","","","1.16","","","","has coordinates","288795","2024-01-06","07:59:41",""
"7247687","5.9046","0.0004","7.8188","0.0005","11.5638","0.0007","91.74","0.002","99.872","0.002","104.651","0.002","507.33","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C10 H28 Cl4 Mn N2 O6 -","- C10 H28 Cl4 Mn N2 O6 -","- C10 H28 Cl4 Mn N2 O6 -","1","0.5","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.0233","0.0192","","","0.0459","0.0476","","","","","","1.077","","","","has coordinates","288795","2024-01-06","07:59:41",""
"7247688","7.137","0.0001","7.2664","0.0001","19.6318","0.0004","85.695","0.002","87.366","0.002","88.66","0.002","1013.96","0.03","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H28 Cl4 Mn N2 O4 -","- C12 H28 Cl4 Mn N2 O4 -","- C24 H56 Cl8 Mn2 N4 O8 -","2","1","","Bothma, Shalene N.; Sheppard, Charles J.; Turnbull, Mark M.; Landee, Christopher P.; Rademeyer, Melanie","The odd–even effect in n-carboxyalkylammonium-containing organic–inorganic hybrids of Mn(ii) halides: structural and magnetic characterisation","CrystEngComm","2023","25","47","6568","6591","10.1039/D3CE00855J","","","0.71073","MoKα","","0.0288","0.0256","","","0.0616","0.0626","","","","","","1.11","","","","has coordinates","288795","2024-01-06","07:59:41",""
"7247689","14.815","0.002","8.0553","0.0013","16.905","0.0019","90","","92.113","0.008","90","","2016.1","0.5","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H6 N30 O36 -","- C18 H6 N30 O36 -","- C36 H12 N60 O72 -","2","0.5","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0833","0.0488","","","0.1193","0.1407","","","","","","1.053","","","","has coordinates","288906","2024-01-06","09:54:01",""
"7247690","15.104","0.0012","8.246","0.001","17.1411","0.0012","90","","92.235","0.004","90","","2133.3","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 N10 O12 -","- C6 H2 N10 O12 -","- C36 H12 N60 O72 -","6","1.5","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0783","0.0453","","","0.1128","0.1319","","","","","","1.1","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7247691","14.6452","0.001","7.9546","0.0007","16.7946","0.0009","90","","92.018","0.004","90","","1955.3","0.2","298.4","","298.4","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H N5 O6 -","- C3 H N5 O6 -","- C36 H12 N60 O72 -","12","3","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0761","0.0458","","","0.1243","0.143","","","","","","1.066","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7247692","19.5713","0.0011","7.6509","0.0008","14.6982","0.0009","90","","127.661","0.002","90","","1742.3","0.2","298.4","","298.4","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C3 N5 O6 -","- C3 N5 O6 -","- C36 N60 O72 -","12","3","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0458","0.0399","","","0.1013","0.1053","","","","","","1.069","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7247693","14.7836","0.0011","8.0383","0.0008","16.867","0.0012","90","","92.078","0.004","90","","2003.1","0.3","300.8","","300.8","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H N5 O6 -","- C3 H N5 O6 -","- C36 H12 N60 O72 -","12","3","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0767","0.0445","","","0.1081","0.1236","","","","","","1.051","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7247694","19.3994","0.0012","7.5957","0.0008","14.5289","0.0016","90","","127.637","0.003","90","","1695.3","0.3","298.4","","298.4","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C3 N5 O6 -","- C3 N5 O6 -","- C36 N60 O72 -","12","3","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0412","0.0368","","","0.0993","0.1025","","","","","","1.089","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7247695","19.319","0.002","7.5668","0.0013","14.458","0.003","90","","127.623","0.005","90","","1674","0.5","287.2","","287.2","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C3 N5 O6 -","- C3 N5 O6 -","- C36 N60 O72 -","12","3","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0522","0.0416","","","0.1072","0.1137","","","","","","1.017","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7247696","14.937","0.0017","8.1341","0.0011","16.989","0.0017","90","","92.17","0.007","90","","2062.7","0.4","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H2 N10 O12 -","- C6 H2 N10 O12 -","- C36 H12 N60 O72 -","6","1.5","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0998","0.0512","","","0.1246","0.1499","","","","","","1.045","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7247697","14.2569","0.0007","7.6573","0.0006","16.6118","0.0008","90","","92.197","0.003","90","","1812.17","0.19","298.4","","298.4","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3 H N5 O6 -","- C3 H N5 O6 -","- C36 H12 N60 O72 -","12","3","","Atceken, Nurunnisa; Hemingway, Jack; Bull, Craig L.; Liu, Xiaojiao; Michalchuk, Adam A. L.; Konar, Sumit; Morrison, Carole A.; Pulham, Colin R.","High-pressure structural studies and pressure-induced sensitisation of 3,4,5-trinitro-1<i>H</i>-pyrazole.","Physical chemistry chemical physics : PCCP","2023","25","46","31646","31654","10.1039/d3cp04526a","","","0.71073","MoKα","","0.0546","0.0366","","","0.0969","0.1071","","","","","","1.041","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7247700","10.5007","0.0001","19.5547","0.0002","8.6349","0.0001","90","","97.941","0.001","90","","1756.07","0.03","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Tertbutylphenylmethyl)sulfanyl]-5-(phenyl)-1,3,4-oxadiazole","","- C19 H20 N2 O S -","- C19 H20 N2 O S -","- C76 H80 N8 O4 S4 -","4","1","","Ahmed, Muhammad Naeem; Akhtar, Maheen; Andleeb, Hina; Bashir, Muhammad Adnan; Ibrahim, Mahmoud A. A.; Sidhom, Peter A.; Arshad, Ifzan; Tahir, Muhammad Nawaz; Gil, Diego M.; Gomila, Rosa M.; Frontera, Antonio","Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH⋯N and CH⋯π interactions","CrystEngComm","2023","25","48","6710","6718","10.1039/D3CE00944K","","","1.54184","CuKα","","0.0435","0.0405","","","0.1194","0.1225","","","","","","1.09","","","","has coordinates,has disorder","288800","2024-01-06","08:01:17",""
"7247701","10.4066","0.0001","24.9033","0.0002","8.8792","0.0001","90","","97.936","0.001","90","","2279.08","0.04","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-[(4-Tertbutylphenylmethyl)sulfanyl]-5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazole","","- C22 H26 N2 O4 S -","- C22 H26 N2 O4 S -","- C88 H104 N8 O16 S4 -","4","1","","Ahmed, Muhammad Naeem; Akhtar, Maheen; Andleeb, Hina; Bashir, Muhammad Adnan; Ibrahim, Mahmoud A. A.; Sidhom, Peter A.; Arshad, Ifzan; Tahir, Muhammad Nawaz; Gil, Diego M.; Gomila, Rosa M.; Frontera, Antonio","Crystal engineering with 1,3,4-oxadiazole derivatives: on the importance of CH⋯N and CH⋯π interactions","CrystEngComm","2023","25","48","6710","6718","10.1039/D3CE00944K","","","1.54184","CuKα","","0.048","0.0454","","","0.1342","0.1372","","","","","","1.053","","","","has coordinates,has disorder","288800","2024-01-06","08:01:17",""
"7247702","10.4819","0.0007","10.9273","0.0007","12.5634","0.0007","104.646","0.002","108.134","0.002","97.016","0.002","1291.14","0.14","172.99","","172.99","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N3 O12 Tb -","- C21 H27 N3 O12 Tb -","- C42 H54 N6 O24 Tb2 -","2","1","","Zhao, Yuming; Zhang, Rudie; Xiao, Cheng; Yue, Dan; Qin, Bowen; Liu, Jinhui; Wang, Zhenling; Fu, Yu","A dual-emission Tb-based MOF induced by ESPT for ratiometric ammonia sensing","CrystEngComm","2023","25","47","6528","6532","10.1039/D3CE00902E","","","0.71073","MoKα","","0.0207","0.019","","","0.0466","0.0479","","","","","","1.139","","","","has coordinates,has disorder","288790","2024-01-06","07:57:11",""
"7247703","11.5372","0.0011","11.7335","0.0009","10.3893","0.0009","90","","104.132","0.009","90","","1363.9","0.2","199.99","0.1","199.99","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H8 F7 N3 -","- C13 H8 F7 N3 -","- C52 H32 F28 N12 -","4","1","","Han, Wei; Chen, Yu-Lan; Tang, Xi; Zhou, Jie; Ma, Mengtao; Shen, Zhi-Liang; Chu, Xue-Qiang","Water-promoted defluorinative synthesis of fluoroalkylated 1,5-diazapentadienes by using (NH4)2CO3 as an NH2 and NH source","Green Chemistry","2023","25","23","9672","9679","10.1039/D3GC03717G","","x-ray","0.71073","MoKα","","0.0479","0.0395","","","0.0986","0.1047","","","","","","1.069","","","","has coordinates","288821","2024-01-06","08:24:32",""
"7247704","6.2755","0.001","8.141","0.0009","19.0094","0.0012","81.051","0.007","85.123","0.009","84.276","0.011","952.2","0.2","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H14 F7 N O3 S -","- C19 H14 F7 N O3 S -","- C38 H28 F14 N2 O6 S2 -","2","1","","Han, Wei; Chen, Yu-Lan; Tang, Xi; Zhou, Jie; Ma, Mengtao; Shen, Zhi-Liang; Chu, Xue-Qiang","Water-promoted defluorinative synthesis of fluoroalkylated 1,5-diazapentadienes by using (NH4)2CO3 as an NH2 and NH source","Green Chemistry","2023","25","23","9672","9679","10.1039/D3GC03717G","","x-ray","1.54184","CuKα","","0.106","0.0955","","","0.268","0.2865","","","","","","1.087","","","","has coordinates","288821","2024-01-06","08:24:34",""
"7247705","30.238","0.006","30.238","0.006","15.131","0.005","90","","90","","120","","11981","5","296.15","","296.15","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C120 H72 Hf6 O32 -","- C120 H72 Hf6 O32 -","- C360 H216 Hf18 O96 -","3","0.166667","","Ma, Yali; Wang, Haitang; Wang, Hailong; Wang, Jiani; Jiang, Shuaiyu; Zheng, Qiang; Jia, Songyan; Li, Xue; Ma, Tianyi","A stable ultra-microporous hafnium-based metal–organic framework with high performance for CO2 adsorption and separation","CrystEngComm","2023","25","46","6489","6495","10.1039/D3CE01022H","","","0.71073","MoKα","","0.0765","0.0504","","","0.1386","0.1593","","","","","","0.974","","","","has coordinates","288782","2024-01-06","07:56:08",""
"7247709","35.975","0.0019","6.3852","0.0004","17.1343","0.0009","90","","104.246","0.003","90","","3814.8","0.4","296","2","296","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","Tioconazole Hydrobromide Salt","","","- C16 H14 Br Cl3 N2 O S -","- C16 H14 Br Cl3 N2 O S -","- C128 H112 Br8 Cl24 N16 O8 S8 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54178","CuKα","","0.0675","0.0478","","","0.1178","0.1306","","","","","","1.04","","","","has coordinates","288801","2024-01-06","08:01:43",""
"7247710","7.7627","0.0005","11.9414","0.0006","14.9934","0.0007","110.029","0.005","96.939","0.005","103.891","0.005","1235.79","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tiaconazole-2-Chloro-4-nitrobenzoic acid cocrystal","","","- C23 H16 Cl4 N3 O5 S -","- C23 H16 Cl4 N3 O5 S -","- C46 H32 Cl8 N6 O10 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.1344","0.0874","","","0.2182","0.2393","","","","","","1.047","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247711","7.8551","0.0005","46.374","0.002","12.4658","0.0005","90","","90.468","0.004","90","","4540.8","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tioconazole-fumerate salt hemihydrate","","","- C20 H18 Cl3 N2 O5.5 S -","- C20 H18 Cl3 N2 O5.5 S -","- C160 H144 Cl24 N16 O44 S8 -","8","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.2218","0.1029","","","0.2385","0.3075","","","","","","1.034","","","","has coordinates","295862","2024-11-09","12:08:13",""
"7247712","7.5563","0.0002","8.3022","0.0002","20.6593","0.0005","83.732","0.002","82.528","0.002","89.714","0.002","1277.3","0.06","100","2","100","2","","","","","","","","6","P 1","P 1","1","Tiaconazole-L-tartrate-L-tartaric acid (2:2:1)salt cocrystal","","","- C22 H22 Cl3 N2 O10 S -","- C22 H22 Cl3 N2 O10 S -","- C44 H44 Cl6 N4 O20 S2 -","2","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0568","0.0532","","","0.1376","0.1402","","","","","","1.043","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247713","10.2522","0.0002","10.7638","0.0004","11.0528","0.0004","112.364","0.004","105.711","0.002","96.357","0.002","1054.06","0.07","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-oxalate-oxalic acid (1:0.5:0.5)salt cocrystal","","","- C18 H15 Cl3 N2 O5 S -","- C18 H15 Cl3 N2 O5 S -","- C36 H30 Cl6 N4 O10 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.099","0.0918","","","0.2553","0.2641","","","","","","1.041","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247714","8.0219","0.0002","12.3226","0.0003","23.9838","0.0005","97.644","0.002","99.212","0.002","90.462","0.002","2318.4","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-Nicotinic acid cocrystal","","","- C22 H18 Cl3 N3 O3 S -","- C22 H18 Cl3 N3 O3 S -","- C88 H72 Cl12 N12 O12 S4 -","4","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0813","0.073","","","0.1879","0.2019","","","","","","1.086","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247715","16.9432","0.001","6.7811","0.0003","34.455","0.002","90","","98.406","0.005","90","","3916.1","0.4","293","2","293","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C16 H15 Cl3 N2 O5 S2 -","- C16 H15 Cl3 N2 O5 S2 -","- C128 H120 Cl24 N16 O40 S16 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.1484","0.1013","","","0.2524","0.3134","","","","","","1.038","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247716","7.488","0.0002","11.3843","0.0004","13.028","0.0004","83.111","0.003","83.102","0.003","75.116","0.003","1060.94","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-ter-pthalic acid (1:0.5) cocrystal","","","- C20 H16 Cl3 N2 O3 S -","- C20 H16 Cl3 N2 O3 S -","- C40 H32 Cl6 N4 O6 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0758","0.0679","","","0.1792","0.1925","","","","","","1.075","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247717","28.7499","0.0012","6.6873","0.0005","26.7737","0.001","90","","106.37","0.004","90","","4938.8","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Tioconazole-p-tolunesulfonate salt","","","- C23 H14 Cl3 N2 O4 S2 -","- C23 H14 Cl3 N2 O4 S2 -","- C184 H112 Cl24 N16 O32 S16 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","0.71073","MoKα","","0.1162","0.077","","","0.1836","0.2195","","","","","","1.04","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247718","8.4631","0.0003","12.0147","0.0006","21.5955","0.0018","82.36","0.009","88.44","0.006","88.592","0.003","2175.1","0.2","297","2","297","2","","","","","","","","6","P -1","-P 1","2","","","","- C32 H32 Cl6 N4 O11 S3 -","- C32 H32 Cl6 N4 O11 S3 -","- C64 H64 Cl12 N8 O22 S6 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.1016","0.086","","","0.2464","0.2716","","","","","","1.095","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247719","7.6028","0.0001","9.9444","0.0001","35.6016","0.0004","90","","90","","90","","2691.67","0.05","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Tioconazole-L-tartrate 1:1 salt hydrate","","","- C20 H25 Cl3 N2 O10.42 S -","- C20 H25 Cl3 N2 O10.42 S -","- C80 H100 Cl12 N8 O41.68 S4 -","4","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0641","0.0618","","","0.1301","0.1312","","","","","","1.146","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247720","10.5568","0.0003","10.9083","0.0003","20.8988","0.0004","86.078","0.002","77.368","0.002","66.24","0.003","2148.81","0.11","100","2","100","2","","","","","","","","6","P 1","P 1","1","Tioconzaole sulfate (2:1) salt heptahydrate","","","- C32 H42 Cl6 N4 O13 S3 -","- C32 H42 Cl6 N4 O13 S3 -","- C64 H84 Cl12 N8 O26 S6 -","2","2","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0773","0.0677","","","0.1937","0.206","","","","","","1.069","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247721","7.6541","0.0001","15.9993","0.0004","17.8133","0.0005","73.851","0.002","78.295","0.002","85.648","0.002","2051.33","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-oxalate (2:1)salt tetrahydrate","","","- C34 H36 Cl6 N4 O10 S2 -","- C34 H36 Cl6 N4 O10 S2 -","- C68 H72 Cl12 N8 O20 S4 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0555","0.0492","","","0.1362","0.1414","","","","","","1.095","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247722","7.4874","0.0002","8.0833","0.0003","19.8791","0.0005","94.572","0.002","98.318","0.002","94.709","0.003","1181.34","0.06","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-Fumerate salt monohydrate","","","- C20 H17 Cl3 N2 O6 S -","- C20 H17 Cl3 N2 O6 S -","- C40 H34 Cl6 N4 O12 S2 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.0836","0.0726","","","0.1881","0.2029","","","","","","1.047","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247723","17.2992","0.0013","6.8054","0.0005","34.882","0.003","90","","99.792","0.008","90","","4046.8","0.6","298","2","298","2","","","","","","","","7","I 1 2/a 1","-I 2ya","15","","","","- C16 H14 Cl3 N2 O5 P S -","- C16 H14 Cl3 N2 O5 P S -","- C128 H112 Cl24 N16 O40 P8 S8 -","8","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.1453","0.0748","","","0.2161","0.2693","","","","","","1.096","","","","has coordinates","288801","2024-01-06","08:01:57",""
"7247724","10.729","0.0003","12.8274","0.0003","16.0617","0.0005","78.507","0.002","83.668","0.002","85.091","0.002","2148.36","0.1","293","2","293","2","","","","","","","","6","P -1","-P 1","2","Tioconazole-Terepthalic acid cocrystal","","","- C40 H30 Cl6 N4 O6 S2 -","- C40 H30 Cl6 N4 O6 S2 -","- C80 H60 Cl12 N8 O12 S4 -","2","1","","Madhesiya, Avinash; Dash, Sibananda G.; Gupta, Princi; Akhir, Abdul; Saxena, Deepanshi; Maitra, Rahul; Chopra, Sidharth; Thakur, Tejender S.","Development of new multicomponent crystals of the antifungal drug tioconazole and the assessment of their biopharmaceutical attributes","CrystEngComm","2023","25","48","6758","6776","10.1039/D3CE00948C","","","1.54184","CuKα","","0.1246","0.0958","","","0.2802","0.333","","","","","","1.187","","","","has coordinates,has disorder","288801","2024-01-06","08:01:57",""
"7247725","9.5594","0.0007","19.9216","0.0015","10.3113","0.0008","90","","110.294","0.009","90","","1841.8","0.3","220.03","0.1","220.03","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Br F2 N2 O -","- C21 H17 Br F2 N2 O -","- C84 H68 Br4 F8 N8 O4 -","4","1","","Pan, Dongping; Liu, Fu-Xiaomin; Zeng, Zhongyi; Ye, Junwei; Cai, Ying; Wang, Shengdong; Zhou, Zhi; Yi, Wei","Practical conversion of gem-difluorocyclopropenes for the chemodivergent assembly of fluorinated heterocyclic frameworks","Green Chemistry","2023","25","24","10630","10637","10.1039/D3GC03203E","","x-ray","0.71073","MoKα","","0.0546","0.0372","","","0.0795","0.0874","","","","","","1.034","","","","has coordinates","288818","2024-01-06","08:22:34",""
"7247726","8.8203","0.0005","9.1068","0.0006","10.6468","0.0006","67.05","0.006","88.22","0.004","71.172","0.005","740.95","0.09","149.99","0.1","149.99","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 F N2 O2 -","- C17 H15 F N2 O2 -","- C34 H30 F2 N4 O4 -","2","1","","Pan, Dongping; Liu, Fu-Xiaomin; Zeng, Zhongyi; Ye, Junwei; Cai, Ying; Wang, Shengdong; Zhou, Zhi; Yi, Wei","Practical conversion of gem-difluorocyclopropenes for the chemodivergent assembly of fluorinated heterocyclic frameworks","Green Chemistry","2023","25","24","10630","10637","10.1039/D3GC03203E","","x-ray","1.54184","CuKα","","0.0611","0.0581","","","0.1552","0.1585","","","","","","1.082","","","","has coordinates","288818","2024-01-06","08:22:42",""
"7247727","37.7194","0.0004","16.9142","0.0002","9.49011","0.00012","90","","90","","90","","6054.63","0.12","294.6","0.1","294.6","0.1","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C17 H16 F2 N2 O -","- C17 H16 F2 N2 O -","- C272 H256 F32 N32 O16 -","16","1","","Pan, Dongping; Liu, Fu-Xiaomin; Zeng, Zhongyi; Ye, Junwei; Cai, Ying; Wang, Shengdong; Zhou, Zhi; Yi, Wei","Practical conversion of gem-difluorocyclopropenes for the chemodivergent assembly of fluorinated heterocyclic frameworks","Green Chemistry","2023","25","24","10630","10637","10.1039/D3GC03203E","","x-ray","1.54184","CuKα","","0.0335","0.0323","","","0.0859","0.0871","","","","","","1.051","","","","has coordinates","288818","2024-01-06","08:22:54",""
"7247728","11.0253","0.0012","19.0234","0.0019","11.08","0.0013","90","","117.375","0.015","90","","2063.7","0.5","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 F N2 O3 S -","- C24 H21 F N2 O3 S -","- C96 H84 F4 N8 O12 S4 -","4","1","","Pan, Dongping; Liu, Fu-Xiaomin; Zeng, Zhongyi; Ye, Junwei; Cai, Ying; Wang, Shengdong; Zhou, Zhi; Yi, Wei","Practical conversion of gem-difluorocyclopropenes for the chemodivergent assembly of fluorinated heterocyclic frameworks","Green Chemistry","2023","25","24","10630","10637","10.1039/D3GC03203E","","x-ray","0.71073","MoKα","","0.0518","0.0422","","","0.0986","0.1036","","","","","","1.073","","","","has coordinates","288818","2024-01-06","08:23:06",""
"7247730","12.994","0.003","18.489","0.004","20.221","0.004","90","","90","","90","","4858","1.8","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H48 Co2 N4 O16 -","- C48 H48 Co2 N4 O16 -","- C192 H192 Co8 N16 O64 -","4","1","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.1222","0.0675","","","0.1084","0.1274","","","","","","1.008","","","","has coordinates","288802","2024-01-06","08:02:39",""
"7247731","10.3085","0.0007","16.7006","0.0011","18.9218","0.0013","90","","90","","90","","3257.5","0.4","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C34 H26 Co N4 O6 -","- C34 H26 Co N4 O6 -","- C136 H104 Co4 N16 O24 -","4","0.5","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.0979","0.0768","","","0.1527","0.1631","","","","","","1.176","","","","has coordinates","288802","2024-01-06","08:02:42",""
"7247732","26.789","0.003","26.789","0.003","25.456","0.003","90","","90","","120","","15821","3","150.15","","150.15","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C28 H23 N3 Ni O7 -","- C28 H23 N3 Ni O7 -","- C504 H414 N54 Ni18 O126 -","18","1","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.1508","0.0821","","","0.2118","0.2476","","","","","","1.042","","","","has coordinates","288802","2024-01-06","08:02:52",""
"7247733","10.4988","0.0003","16.7826","0.0004","18.4931","0.0005","90","","90","","90","","3258.43","0.15","100","","100","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C70 H55 N9 Ni2 O12 -","- C70 H55 N9 Ni2 O12 -","- C140 H110 N18 Ni4 O24 -","2","0.25","","Uvarova, Marina A.; Lutsenko, Irina A.; Babeshkin, Konstantin A.; Sokolov, Andrey V.; Alexandrov, Eugeny V.; Efimov, Nikolay N.; Shmelev, Maxim A.; Khoroshilov, Andrey V.; Eremenko, Igor L.; Kiskin, Mikhail A.","Solvent effect in the chemical design of coordination polymers of various topologies with Co2+ and Ni2+ ions and 2-furoate anions","CrystEngComm","2023","25","48","6786","6795","10.1039/D3CE00813D","","","0.71073","MoKα","","0.0728","0.0568","","","0.151","0.1651","","","","","","1.07","","","","has coordinates,has disorder","288802","2024-01-06","08:03:03",""
"7247734","7.74397","0.00015","5.37413","0.0001","18.739","0.0003","90","","99.3886","0.0018","90","","769.42","0.02","99.97","0.15","99.97","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N4 O2 -","- C8 H4 N4 O2 -","- C32 H16 N16 O8 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0398","0.0382","","","0.1031","0.1047","","","","","","1.041","","","","has coordinates","288796","2024-01-06","07:59:52",""
"7247735","14.2846","0.0002","9.9978","0.0001","6.3863","0.0001","90","","90","","90","","912.06","0.02","99.9","0.3","99.9","0.3","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H3 N5 O4 -","- C8 H3 N5 O4 -","- C32 H12 N20 O16 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0243","0.0238","","","0.0623","0.0625","","","","","","1.075","","","","has coordinates","288796","2024-01-06","08:00:03",""
"7247736","8.6598","0.0002","12.7026","0.0003","15.575","0.0004","90","","90","","90","","1713.28","0.07","100","0.4","100","0.4","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C8 H3 N5 O4 -","- C8 H3 N5 O4 -","- C64 H24 N40 O32 -","8","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0464","0.0439","","","0.1219","0.1247","","","","","","1.059","","","","has coordinates","288796","2024-01-06","08:00:05",""
"7247737","14.40027","0.00012","10.46252","0.00009","6.13809","0.00005","90","","90","","90","","924.784","0.013","99.98","0.15","99.98","0.15","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C8 H3 N5 O5 -","- C8 H3 N5 O5 -","- C32 H12 N20 O20 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.031","0.0308","","","0.083","0.0831","","","","","","1.077","","","","has coordinates","288796","2024-01-06","08:00:17",""
"7247738","8.0979","0.0001","15.91","0.0001","18.7119","0.0001","90","","95.287","0.001","90","","2400.54","0.04","99.97","0.13","99.97","0.13","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 N4 O3 -","- C8 H4 N4 O3 -","- C96 H48 N48 O36 -","12","3","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0371","0.0357","","","0.0971","0.0983","","","","","","1.034","","","","has coordinates","288796","2024-01-06","08:00:20",""
"7247739","12.53304","0.00019","8.30693","0.00013","9.61288","0.00013","90","","90","","90","","1000.81","0.03","99.9","0.5","99.9","0.5","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H2 N6 O6 -","- C8 H2 N6 O6 -","- C32 H8 N24 O24 -","4","1","","Baraboshkin, Nikita M.; Zelenov, Victor P.; Fedyanin, Ivan V.","What are the prospects of [1,2,5]oxadiazolo[3,4-c]cinnoline 5-oxides, 1,5-dioxides and their nitro derivatives as high-energy-density materials? Synthesis, experimental and predicted crystal structures, and calculated explosive properties","CrystEngComm","2023","25","48","6719","6739","10.1039/D3CE00964E","","x-ray","1.54184","CuKα","","0.0326","0.0322","","","0.0879","0.0882","","","","","","1.058","","","","has coordinates","288796","2024-01-06","08:00:20",""
"7247740","22.7584","0.0008","9.418","0.0002","18.1546","0.0006","90","","112.265","0.004","90","","3601.1","0.2","150","2","149.9","0.6","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H35 Cu O3 P2 S -","- C42 H35 Cu O3 P2 S -","- C168 H140 Cu4 O12 P8 S4 -","4","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Kumar, Abhinav; Muddassir, Mohd.","The supramolecular frameworks and electrocatalytic properties of two new structurally diverse tertiary phosphane-appended nickel(ii) and copper(i) thiosquarates","CrystEngComm","2023","25","48","6822","6836","10.1039/D3CE00817G","","x-ray","0.71073","MoKα","","0.0599","0.0395","","","0.072","0.0788","","","","","","1.037","","","","has coordinates","288803","2024-01-06","08:03:11",""
"7247741","9.658","0.00014","10.04345","0.00011","18.763","0.0003","76.6204","0.0011","85.3079","0.0011","81.3483","0.001","1748.37","0.04","150","2","150.15","","","","","","","","","7","P -1","-P 1","2","","","","- C37.25 H33.73 Cl0.27 Ni O5.64 P2 S1.85 -","- C37.25 H33.73 Cl0.27 Ni O5.64 P2 S1.85 -","- C74.5 H67.46 Cl0.54 Ni2 O11.28 P4 S3.7 -","2","1","","Srivastava, Devyani; Kushwaha, Aparna; Kociok-Köhn, Gabriele; Gosavi, Suresh W.; Chauhan, Ratna; Kumar, Abhinav; Muddassir, Mohd.","The supramolecular frameworks and electrocatalytic properties of two new structurally diverse tertiary phosphane-appended nickel(ii) and copper(i) thiosquarates","CrystEngComm","2023","25","48","6822","6836","10.1039/D3CE00817G","","","1.54184","CuKα","","0.0405","0.0367","","","0.0928","0.095","","","","","","1.082","","","","has coordinates,has disorder","288803","2024-01-06","08:03:11",""
"7247742","6.8294","0.0001","14.2435","0.0002","20.7154","0.0002","90","","90","","90","","2015.08","0.05","100.01","0.1","100.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Br O S -","- C24 H23 Br O S -","- C96 H92 Br4 O4 S4 -","4","1","","Fan, Xin-Yang; Li, Jia-Cheng; Zhou, Ji-Jia; Zhou, Bo; Ye, Long-Wu","Chiral Brønsted acid-catalyzed asymmetric dearomative spirocyclization of alkynyl thioethers","Green Chemistry","2023","25","24","10638","10643","10.1039/D3GC03222A","","x-ray","1.54184","CuKα","","0.0275","0.0258","","","0.0648","0.0655","","","","","","1.038","","","","has coordinates","288815","2024-01-06","08:21:21",""
"7247743","11.505","0.003","37.012","0.01","9.556","0.002","90","","111.92","0.005","90","","3775","1.6","294","","294","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","hydrazine bridged 3-pyrollyl BODIPY","","- C42 H32 B2 F4 N8 -","- C42 H32 B2 F4 N8 -","- C168 H128 B8 F16 N32 -","4","1","","Behera, Kanhu Charan; Ravikanth, Mangalampalli","A white light emitting single halochromic hydrazine bridged bis(3-pyrrolyl BODIPY) fluorophore.","Physical chemistry chemical physics : PCCP","2023","25","47","32584","32593","10.1039/d3cp04234k","","x-ray","0.71073","MoKα","","0.1607","0.0974","","","0.1954","0.213","","","","","","1.052","","","","has coordinates","288909","2024-01-06","09:56:17",""
"7247745","7.0295","0.0004","27.8164","0.0016","12.8722","0.0007","90","","99.071","0.005","90","","2485.5","0.2","250","0.1","250","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H26 Cl Cu N9 O4 -","- C20 H26 Cl Cu N9 O4 -","- C80 H104 Cl4 Cu4 N36 O16 -","4","1","","Diyali, Nilankar; Chettri, Meena; Saha, Subhajit; Saha, Ankita; Kundu, Subhankar; Mondal, Debasish; Dhak, Debasis; Biswas, Bhaskar","Electrocatalytic hydrogen production activity with a copper(ii)-dipyridylamine complex in acidic water","CrystEngComm","2023","25","48","6837","6844","10.1039/D3CE00996C","","","0.71073","MoKα","","0.0801","0.0576","","","0.1378","0.1577","","","","","","1.032","","","","has coordinates","288797","2024-01-06","08:00:32",""
"7247750","7.959","0.0006","10.7872","0.0008","29.582","0.002","90","","93.461","0.004","90","","2535.1","0.3","193","","193","","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C30 H18 Mn N4 O4 -","- C30 H18 Mn N4 O4 -","- C120 H72 Mn4 N16 O16 -","4","1","","Li, Duqingcuo; Liu, Yichen; Xiang, Ruifang; Li, Yuyan; Qin, Tianrui; Dong, Xiu Yan; Sakiyama, Hiroshi; Muddassir, Mohd.; Liu, Jianqiang","Synthesis, structure, and investigation of unique magnetic properties in two novel Mn-based coordination polymers","CrystEngComm","2023","25","48","6777","6785","10.1039/D3CE01060K","","","1.34139","GaKα","","0.05","0.036","","","0.0876","0.0943","","","","","","1.032","","","","has coordinates,has disorder","288798","2024-01-06","08:00:41",""
"7247751","9.584","0.0002","10.552","0.0003","11.7635","0.0003","93.832","0.001","111.246","0.001","108.96","0.001","1025.39","0.05","173","2","173","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H17 Mn N4 O5 -","- C24 H17 Mn N4 O5 -","- C48 H34 Mn2 N8 O10 -","2","1","","Li, Duqingcuo; Liu, Yichen; Xiang, Ruifang; Li, Yuyan; Qin, Tianrui; Dong, Xiu Yan; Sakiyama, Hiroshi; Muddassir, Mohd.; Liu, Jianqiang","Synthesis, structure, and investigation of unique magnetic properties in two novel Mn-based coordination polymers","CrystEngComm","2023","25","48","6777","6785","10.1039/D3CE01060K","","","1.54178","CuKα","","0.0327","0.0299","","","0.0763","0.0786","","","","","","1.049","","","","has coordinates,has disorder","288798","2024-01-06","08:00:47",""
"7247762","17.1155","0.0007","17.1155","0.0007","17.1155","0.0007","90","","90","","90","","5013.8","0.4","293","","293","","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8.34 H11 Co N9.17 O0.17 -","- C8 H10 Co N9.16667 -","- C96 H120 Co12 N110 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0696","0.066","","","0.1848","0.1875","","","","","","1.189","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247763","16.9979","0.0006","16.9979","0.0006","16.9979","0.0006","90","","90","","90","","4911.2","0.3","293","","293","","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N10.44 -","- C8 H10 Co N10.4445 -","- C96 H120 Co12 N125.334 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0847","0.0801","","","0.2325","0.2398","","","","","","1.114","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247764","17.0426","0.0004","17.0426","0.0004","17.0426","0.0004","90","","90","","90","","4950","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C10 H16 Co N4 O -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0619","0.043","","","0.0932","0.0984","","","","","","1.014","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247765","16.8057","0.0004","16.8057","0.0004","16.8057","0.0004","90","","90","","90","","4746.5","0.2","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.73 -","- C8 H10 Co N13.7334 -","- C96 H120 Co12 N164.801 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0781","0.0721","","","0.1893","0.1947","","","","","","1.105","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247766","16.9247","0.0006","16.9247","0.0006","16.9247","0.0006","90","","90","","90","","4848","0.3","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13 -","- C8 H10 Co N13.0001 -","- C96 H120 Co12 N156.001 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0867","0.0816","","","0.2091","0.2136","","","","","","1.113","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247767","16.6284","0.0004","16.6284","0.0004","16.6284","0.0004","90","","90","","90","","4597.81","0.19","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.33 -","- C8 H10 Co N13.3335 -","- C96 H120 Co12 N160.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.1064","0.0871","","","0.2123","0.2224","","","","","","1.178","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247768","17.074","0.0004","17.074","0.0004","17.074","0.0004","90","","90","","90","","4977.4","0.2","293","","293","","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N10.08 -","- C8 H10 Co N10.0835 -","- C96 H120 Co12 N121.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0707","0.0675","","","0.2079","0.2103","","","","","","1.249","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247769","17.2086","0.0004","17.2086","0.0004","17.2086","0.0004","90","","90","","90","","5096.1","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C10.92 H21.67 Co N4 O2.92 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0191","0.0185","","","0.0514","0.0516","","","","","","1.106","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247770","17.223","0.0004","17.223","0.0004","17.223","0.0004","90","","90","","90","","5108.9","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C11.75 H25 Co N4 O3.75 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0453","0.0415","","","0.1183","0.1245","","","","","","1.168","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247771","16.7265","0.0004","16.7265","0.0004","16.7265","0.0004","90","","90","","90","","4679.67","0.19","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.83 -","- C8 H10 Co N13.8335 -","- C96 H120 Co12 N166.001 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0788","0.0744","","","0.1887","0.1935","","","","","","1.162","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247772","16.4992","0.0004","16.4992","0.0004","16.4992","0.0004","90","","90","","90","","4491.47","0.19","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C8 H10 Co N13.33 -","- C8 H10 Co N13.3335 -","- C96 H120 Co12 N160.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0959","0.0849","","","0.2206","0.232","","","","","","1.135","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247773","17.164","0.0003","17.164","0.0003","17.164","0.0003","90","","90","","90","","5056.56","0.15","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C11.83 H25.33 Co N4 O3.83 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0897","0.0845","","","0.2227","0.239","","","","","","1.114","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247774","17.1155","0.0002","17.1155","0.0002","17.1155","0.0002","90","","90","","90","","5013.82","0.1","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C11 H19 Co N4 O1.5 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0317","0.0301","","","0.0809","0.0816","","","","","","1.136","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247775","16.9823","0.0004","16.9823","0.0004","16.9823","0.0004","90","","90","","90","","4897.7","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C12.5 H28 Co N4 O4.5 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0366","0.0363","","","0.1001","0.1003","","","","","","1.137","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247776","17.1651","0.0003","17.1651","0.0003","17.1651","0.0003","90","","90","","90","","5057.54","0.15","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C13.42 H31.67 Co N4 O5.42 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0679","0.0634","","","0.1727","0.1801","","","","","","1.141","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247777","16.8677","0.0005","16.8677","0.0005","16.8677","0.0005","90","","90","","90","","4799.2","0.2","293","2","293","2","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- C12.83 H29.33 Co N4 O4.83 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.028","0.0278","","","0.0782","0.0783","","","","","","1.114","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247778","16.923","0.0005","16.923","0.0005","16.923","0.0005","90","","90","","90","","4846.5","0.2","100.01","0.1","100.01","0.1","","","","","","","","5","I -4 3 m","I -4 2 3","217","ZIF-67","","","- C11.67 H21 Co N4 O1.83 -","- C8 H10 Co N4 -","- C96 H120 Co12 N48 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","1.54184","CuKα","","0.069","0.0584","","","0.1773","0.1899","","","","","","1.098","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247779","16.5684","0.0003","16.5684","0.0003","16.5684","0.0003","90","","90","","90","","4548.22","0.14","293","2","293","2","","","","","","","","4","I -4 3 m","I -4 2 3","217","","","","- C8 H10 Co N13.33 -","- C8 H10 Co N13.3335 -","- C96 H120 Co12 N160.002 -","12","0.25","","Jones, Isabelle M.; Turner, Gemma F.; Pitts, Kari; Powell, Rees; Riboldi-Tunnicliffe, Alan; Williamson, Rachel; Boer, Stephanie; Allen, Lauren; Moggach, Stephen A.","High-pressure induced guest-mediated gate opening behaviour of the Co-based framework ZIF-67","CrystEngComm","2023","25","47","6533","6538","10.1039/D3CE00979C","","x-ray","0.71073","MoKα","","0.0844","0.0796","","","0.2069","0.2121","","","","","","1.151","","","","has coordinates,has disorder","288793","2024-01-06","07:59:23",""
"7247782","11.276","0.004","6.42","0.004","29.326","0.009","90","","96.45","0.03","90","","2109.5","1.6","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 F3 N3 O2 -","- C23 H26 F3 N3 O2 -","- C92 H104 F12 N12 O8 -","4","1","","Krawczyk, Marta S.; Krawczyk, Monika K.; Majerz, Irena","Polymorphism of amantadinium niflumate","CrystEngComm","2023","25","48","6748","6757","10.1039/D3CE00754E","","","1.54184","CuKα","","0.0352","0.0323","","","0.0813","0.0837","","","","","","1.029","","","","has coordinates","288799","2024-01-06","08:01:03",""
"7247783","16.953","0.006","6.359","0.003","20.573","0.006","90","","108.29","0.03","90","","2105.8","1.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H26 F3 N3 O2 -","- C23 H26 F3 N3 O2 -","- C92 H104 F12 N12 O8 -","4","1","","Krawczyk, Marta S.; Krawczyk, Monika K.; Majerz, Irena","Polymorphism of amantadinium niflumate","CrystEngComm","2023","25","48","6748","6757","10.1039/D3CE00754E","","","1.54184","CuKα","","0.0501","0.0443","","","0.1178","0.1222","","","","","","1.018","","","","has coordinates,has disorder","288799","2024-01-06","08:01:10",""
"7247814","10.3061","0.0001","8.9312","0.0001","16.601","0.0003","90","","95.428","0.001","90","","1521.2","0.04","293","2","293","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C31 H26 Cd2 N4 O11 -","- C31 H26 Cd2 N4 O11 -","- C62 H52 Cd4 N8 O22 -","2","0.5","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0248","0.0234","","","0.0606","0.0613","","","","","","1.0483","","","","has coordinates,has disorder","288015","2023-12-04","18:10:45",""
"7247815","11.0328","0.0001","17.1307","0.0002","19.2872","0.0002","90","","93.281","0.001","90","","3639.3","0.07","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C15.5 H18 Cd N2 O8 -","- C15.5 H18 Cd N2 O8 -","- C124 H144 Cd8 N16 O64 -","8","1","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0246","0.0234","","","0.0629","0.0637","","","","","","1.0708","","","","has coordinates,has disorder","288015","2023-12-04","18:10:46",""
"7247816","27.3243","0.0002","10.2895","0.0001","17.8117","0.0002","90","","105.53","0.001","90","","4824.99","0.08","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cd N4 O8.5 -","- C23 H23 Cd N4 O8.5 -","- C184 H184 Cd8 N32 O68 -","8","1","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0579","0.0576","","","0.1448","0.1449","","","","","","0.9176","","","","has coordinates,has disorder","288015","2023-12-04","18:10:47",""
"7247817","10.0583","0.0002","10.1823","0.0002","20.6673","0.0003","97.263","0.002","94.133","0.001","119.439","0.002","1806.38","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H38 Cd2 N4 O15 -","- C33 H38 Cd2 N4 O15 -","- C66 H76 Cd4 N8 O30 -","2","1","","Li, Wen-Ze; Sheng, Yu-Shu; Zhang, Xiao-Sa; Liu, Yu; Li, Jing; Luan, Jian","Fabrication of 5-R-isophthalic acid-modulated cadmium–organic coordination polymers and selectivity for the efficient detection of multiple analytes","CrystEngComm","2023","25","43","6067","6079","10.1039/D3CE00899A","","","1.54178","CuKα","","0.0349","0.033","","","0.0898","0.0924","","","","","","1.045","","","","has coordinates","288015","2023-12-04","18:10:47",""
"7247818","12.2633","0.0015","6.5624","0.0008","11.4726","0.0014","90","","111.627","0.003","90","","858.28","0.18","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin","2-acetoxybenzoicacid","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Muthusamy, Ramya; Karuppannan, Srinivasan","Liquid–liquid phase separation and crystallization of aspirin polymorphs from a water–acetonitrile mixed solvent medium through a swift cooling process","CrystEngComm","2023","25","47","6611","6621","10.1039/D3CE00611E","","","0.71073","MoKα","","0.1545","0.0748","","","0.1681","0.2056","","","","","","1.012","","","","has coordinates","288016","2023-12-04","18:14:59",""
"7247819","11.429","0.004","6.597","0.002","11.395","0.004","90","","95.75","0.009","90","","854.8","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Acetylsalicylic acid","2-acetoxybenzoicacid","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Muthusamy, Ramya; Karuppannan, Srinivasan","Liquid–liquid phase separation and crystallization of aspirin polymorphs from a water–acetonitrile mixed solvent medium through a swift cooling process","CrystEngComm","2023","25","47","6611","6621","10.1039/D3CE00611E","","","0.71073","MoKα","","0.1119","0.0524","","","0.1074","0.1245","","","","","","1.037","","","","has coordinates","288016","2023-12-04","18:15:03",""
"7247820","26.692","0.007","15.981","0.004","19.803","0.005","90","","96.761","0.003","90","","8389","4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H101 Co2 Ho2 N7 O37 -","- C74 H101 Co2 Ho2 N7 O37 -","- C296 H404 Co8 Ho8 N28 O148 -","4","0.5","","Ahmed, Naushad; Sahu, Prem Prakash","Ferromagnetically coupled CoII2LnIII2 complexes (where LnIII = Ho, Er, Yb): experimental and theoretical investigations","CrystEngComm","2023","25","47","6592","6601","10.1039/D3CE00827D","","","0.7107","MoKα","","0.0517","0.0456","","","0.0897","0.093","","","","","","1.106","","","","has coordinates,has disorder","288017","2023-12-04","18:16:25",""
"7247821","26.7585","0.0007","16.0409","0.0005","19.8206","0.0006","90","","96.4","0.003","90","","8454.6","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C74 H101 Co2 N7 O37 Yb2 -","- C74 H101 Co2 N7 O37 Yb2 -","- C296 H404 Co8 N28 O148 Yb8 -","4","0.5","","Ahmed, Naushad; Sahu, Prem Prakash","Ferromagnetically coupled CoII2LnIII2 complexes (where LnIII = Ho, Er, Yb): experimental and theoretical investigations","CrystEngComm","2023","25","47","6592","6601","10.1039/D3CE00827D","","","0.71073","MoKα","","0.0561","0.0413","","","0.084","0.0946","","","","","","1.045","","","","has coordinates,has disorder","288017","2023-12-04","18:16:26",""
"7247831","39.4459","0.0015","39.4459","0.0015","12.5093","0.0008","90","","90","","120","","16856.5","1.4","200","2","200","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C50 H33 N3 O2 -","- C50 H33 N3 O2 -","- C900 H594 N54 O36 -","18","1","","Amiri, Kamran; Nayebzadeh, Behrouz; Kamangar, Mohammad; Babazadeh, Mohammad; Ariafard, Alireza; Shiri, Farshad; Rominger, Frank; Balalaie, Saeed","Synthesis of a fused N-bridged [3.3.1]nonadiquinoline multicyclic skeleton via a metal-free formal [4 + 2] cycloaddition/Mannich/dearomatization domino reaction","Green Chemistry","2023","25","22","9203","9208","10.1039/D3GC03026A","","","0.71073","MoKα","","0.1113","0.0526","","","0.1126","0.1369","","","","","","1.04","","","","has coordinates","288029","2023-12-05","04:10:14",""
"7247832","6.345","0.0006","7.2323","0.0007","10.5606","0.001","94.218","0.002","100.28","0.002","97.907","0.002","469.9","0.08","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C4 H9 O11 -","- C4 H9 O11 -","- C8 H18 O22 -","2","1","","Ragupathi, Ayyakkannu; Charpe, Vaibhav Pramod; Hwu, Jih Ru; Hwang, Kuo Chu","Oxidative destruction of chlorinated persistent organic pollutants by hydroxyl radicals via ozone and UV light irradiation","Green Chemistry","2023","25","23","9695","9704","10.1039/D3GC02365F","","","0.71073","MoKα","","0.0535","0.0461","","","0.1211","0.1274","","","","","","1.055","","","","has coordinates","288030","2023-12-05","04:12:00",""
"9004190","7.455","","8.955","","5.916","","90","","90","","90","","394.949","","","","","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","Nickelaustinite","- As Ca Co0.04 Cu0.01 H Mg0.06 Ni0.67 O5 Zn0.22 -","- As Ca Co0.04 Cu0.01 H Mg0.06 Ni0.67 O5 Zn0.22 -","- As4 Ca4 Co0.16 Cu0.04 H4 Mg0.24 Ni2.68 O20 Zn0.88 -","4","1","","Cesbron, F. P.; Ginderow, D.; Giraud, R.; Pelisson, P.; Pillard, F.","La nickelaustinite Ca(Ni,Zn)(AsO4)(OH): Nouvelle espece minerale du district cobalto-nickelifere de Bou-Azzer, Maroc Note: signs changed on y-coordinates of O1 and O2","The Canadian Mineralogist","1987","25","","401","407","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004191","8.5714","","12.9646","","7.2217","","90.6","","115.9","","87.7","","721.3","","","","","","","","","","","","","5","C -1","-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)","2","","","Microcline","- Al K0.95 Na0.05 O8 Si3 -","- Al K0.95 Na0.05 O8 Si3 -","- Al4 K3.8 Na0.2 O32 Si12 -","4","","","Blasi, A.; De Pol Blasi, C.; Zanazzi, P. F.","A re-examination of the Pellotsalo microcline: Mineralogical implications and genetic considerations","The Canadian Mineralogist","1987","25","","527","537","","","","","","","","","","","","","","","","","","","","","","has coordinates","291351","2024-04-25","15:50:41",""
"9004192","10.253","","10.253","","13.503","","90","","90","","120","","1229.31","","","","","","","","","","","","Mont Saint-Hilaire, Quebec, Canada","5","P 6/m c c","-P 6 2c","192","","","Poudretteite","- B3 K Na2 O30 Si12 -","- B3 K Na2 O30 Si12 -","- B6 K2 Na4 O60 Si24 -","2","0.0833333","","Grice, J. D.; Ercit, T. S.; Van Velthuizen, J.; Dunn, P. J.","Poudretteite, KNa2B3Si12O30, a new member of the osumilite group from Mont Saint-Hilaire, Quebec, and its crystal structure","The Canadian Mineralogist","1987","25","","763","766","","","","","","","","","","","","","","","","","","","","","","has coordinates","288653","2024-01-03","17:00:04",""
"9004193","7.13","","7.43","","12.479","","94.3","","102.1","","82.7","","640.363","","","","","","","","","","","","","6","P -1","-P 1","2","","","Ehrleite","- Be Ca2 H9 O16 P3 Zn -","- Be Ca2 H9 O16 P3 Zn -","- Be2 Ca4 H18 O32 P6 Zn2 -","2","1","","Hawthorne, F. C.; Grice, J. D.","The crystal structure of ehrleite, a tetrahedral sheet structure","The Canadian Mineralogist","1987","25","","767","774","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:51:36",""
"9006525","7.4857","","7.675","","5.7751","","90","","90","","90","","331.795","","","","","","","","0","","","","","3","P b n m","-P 2c 2ab","62","","","Sillimanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T.","Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 0.00 GPa","Physics and Chemistry of Minerals","1997","25","","39","47","10.1007/s002690050084","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9006526","7.4732","","7.652","","5.7631","","90","","90","","90","","329.562","","","","","","","","1230000","","","","","3","P b n m","-P 2c 2ab","62","","","Sillimanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T.","Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 1.23 GPa","Physics and Chemistry of Minerals","1997","25","","39","47","10.1007/s002690050084","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9006527","7.4537","","7.6238","","5.756","","90","","90","","90","","327.088","","","","","","","","2540000","","","","","3","P b n m","-P 2c 2ab","62","","","Sillimanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T.","Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 2.54 GPa","Physics and Chemistry of Minerals","1997","25","","39","47","10.1007/s002690050084","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9006528","7.4345","","7.5989","","5.7507","","90","","90","","90","","324.88","","","","","","","","3720000","","","","","3","P b n m","-P 2c 2ab","62","","","Sillimanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T.","Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 3.72 GPa","Physics and Chemistry of Minerals","1997","25","","39","47","10.1007/s002690050084","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9006529","7.4146","","7.5739","","5.745","","90","","90","","90","","322.624","","","","","","","","5290000","","","","","3","P b n m","-P 2c 2ab","62","","","Sillimanite","- Al2 O5 Si -","- Al2 O5 Si -","- Al8 O20 Si4 -","4","0.5","","Yang, H.; Hazen, R. M.; Finger, L. W.; Prewitt, C. T.; Downs, R. T.","Compressibility and crystal structure of sillimanite, Al2SiO5, at high pressure Sample: P = 5.29 GPa","Physics and Chemistry of Minerals","1997","25","","39","47","10.1007/s002690050084","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:08",""
"9006530","3.318","","3.318","","4.717","","90","","90","","120","","44.973","","","","","","","","0","","","","","3","P -3 m 1","-P 3 2""","164","","","Pyrochroite (deuterated)","- D2 Mn O2 -","- D1.99998 Mn O2 -","- D1.99998 Mn O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 0.0 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006531","3.305","","3.305","","4.675","","90","","90","","120","","44.224","","","","","","","","700000","","","","","3","P -3 m 1","-P 3 2""","164","","","Pyrochroite (deuterated)","- D2 Mn O2 -","- D1.99998 Mn O2 -","- D1.99998 Mn O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 0.7 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006532","3.281","","3.281","","4.579","","90","","90","","120","","42.689","","","","","","","","2400000","","","","","3","P -3 m 1","-P 3 2""","164","","","Pyrochroite (deuterated)","- D2 Mn O2 -","- D1.99998 Mn O2 -","- D1.99998 Mn O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 2.4 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006533","3.25","","3.25","","4.497","","90","","90","","120","","41.136","","","","","","","","4600000","","","","","3","P -3 m 1","-P 3 2""","164","","","Pyrochroite (deuterated)","- D2 Mn O2 -","- D1.99998 Mn O2 -","- D1.99998 Mn O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 4.6 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006534","3.208","","3.208","","4.416","","90","","90","","120","","39.358","","","","","","","","7800000","","","","","3","P -3 m 1","-P 3 2""","164","","","Pyrochroite (deuterated)","- D2 Mn O2 -","- D1.99998 Mn O2 -","- D1.99998 Mn O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 7.8 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006535","3.1834","","3.1834","","4.6445","","90","","90","","120","","40.762","","","","","","","","0","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Co D2 O2 -","- Co D1.99998 O2 -","- Co D1.99998 O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 0.0 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006536","3.167","","3.167","","4.6","","90","","90","","120","","39.956","","","","","","","","500000","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Co D2 O2 -","- Co D1.99998 O2 -","- Co D1.99998 O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 0.5 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006537","3.139","","3.139","","4.483","","90","","90","","120","","38.254","","","","","","","","3300000","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Co D2 O2 -","- Co D1.99998 O2 -","- Co D1.99998 O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 3.3 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006538","3.109","","3.109","","4.414","","90","","90","","120","","36.949","","","","","","","","5600000","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Co D2 O2 -","- Co D1.99998 O2 -","- Co D1.99998 O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 5.6 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006539","3.084","","3.084","","4.363","","90","","90","","120","","35.937","","","","","","","","7500000","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Co D2 O2 -","- Co D1.99998 O2 -","- Co D1.99998 O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 7.5 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006540","3.059","","3.059","","4.283","","90","","90","","120","","34.709","","","","","","","","9500000","","","","","3","P -3 m 1","-P 3 2""","164","","","","- Co D2 O2 -","- Co D1.99998 O2 -","- Co D1.99998 O2 -","1","0.0833333","","Parise, J. B.; Theroux, B.; Li, R.; Loveday, J. S.; Marshall, W. G.; Klotz, S.","Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 9.5 GPa","Physics and Chemistry of Minerals","1998","25","","130","137","10.1007/s002690050095","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006541","9.4264","","9.4264","","18.6962","","90","","90","","90","","1661.29","","","","","","","","100","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","Braunite","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample in air: P = 0.0001 GPa","Physics and Chemistry of Minerals","1998","25","","183","192","10.1007/s002690050101","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006542","9.4266","","9.4266","","18.6952","","90","","90","","90","","1661.27","","","","","","","","100","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","Braunite","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample in Diamond Anvil Cell without pressure medium: P = 0.0001 GPa","Physics and Chemistry of Minerals","1998","25","","183","192","10.1007/s002690050101","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006543","9.4007","","9.4007","","18.6574","","90","","90","","90","","1648.81","","","","","","","","1380000","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","Braunite","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 1.38 GPa","Physics and Chemistry of Minerals","1998","25","","183","192","10.1007/s002690050101","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006544","9.3786","","9.3786","","18.6234","","90","","90","","90","","1638.08","","","","","","","","2660000","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","Braunite","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 2.66 GPa","Physics and Chemistry of Minerals","1998","25","","183","192","10.1007/s002690050101","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006545","9.348","","9.348","","18.5739","","90","","90","","90","","1623.08","","","","","","","","4510000","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","Braunite","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 4.51 GPa","Physics and Chemistry of Minerals","1998","25","","183","192","10.1007/s002690050101","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006546","9.3309","","9.3309","","18.5455","","90","","90","","90","","1614.68","","","","","","","","5630000","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","Braunite","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 5.63 GPa","Physics and Chemistry of Minerals","1998","25","","183","192","10.1007/s002690050101","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006547","9.2998","","9.2998","","18.4957","","90","","90","","90","","1599.62","","","","","","","","7690000","","","","","3","I 41/a c d :2","-I 4bd 2c","142","","","Braunite","- Mn7 O12 Si -","- Mn7 O12 Si -","- Mn56 O96 Si8 -","8","0.25","","Miletich, R.; Allan, D. R.; Angel, R. J.","Structural control of polyhedral compression in synthetic braunite, Mn2+Mn3+6O8SiO4 Sample: P = 7.69 GPa","Physics and Chemistry of Minerals","1998","25","","183","192","10.1007/s002690050101","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006555","9.6519","","8.9075","","5.2004","","90","","108.59","","90","","423.773","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","Pigeonite","- Fe0.39 Mg0.61 O3 Si -","- Fe0.39 Mg0.61 O3 Si -","- Fe3.12 Mg4.88 O24 Si8 -","8","2","","Angel, R. J.; McCammon, C. A.; Woodland, A. B.","Structure, ordering and cation interactions in Ca-free P2_1/c clinopyroxenes Sample: H162 Note: x coordinate of O2B changed by author, May, 2004","Physics and Chemistry of Minerals","1998","25","","249","258","10.1007/s002690050111","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006556","11.4545","","11.4545","","11.4545","","90","","90","","90","","1502.89","","","","","","","","0","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","8","0.0833333","","Zhang, L.; Ahsbahs, H.; Kutoglu, A.","Hydrostatic compression and crystal structure of pyrope to 33 GPa Sample: P = 0.0 GPa","Physics and Chemistry of Minerals","1998","25","","301","307","10.1007/s002690050118","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006557","11.3846","","11.3846","","11.3846","","90","","90","","90","","1475.55","","","","","","","","3480000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","8","0.0833333","","Zhang, L.; Ahsbahs, H.; Kutoglu, A.","Hydrostatic compression and crystal structure of pyrope to 33 GPa Sample: P = 3.48 GPa","Physics and Chemistry of Minerals","1998","25","","301","307","10.1007/s002690050118","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006558","11.2893","","11.2893","","11.2893","","90","","90","","90","","1438.8","","","","","","","","8570000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","8","0.0833333","","Zhang, L.; Ahsbahs, H.; Kutoglu, A.","Hydrostatic compression and crystal structure of pyrope to 33 GPa Sample: P = 8.57 GPa","Physics and Chemistry of Minerals","1998","25","","301","307","10.1007/s002690050118","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006559","11.2353","","11.2353","","11.2353","","90","","90","","90","","1418.25","","","","","","","","11530000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","8","0.0833333","","Zhang, L.; Ahsbahs, H.; Kutoglu, A.","Hydrostatic compression and crystal structure of pyrope to 33 GPa Sample: P = 11.53 GPa","Physics and Chemistry of Minerals","1998","25","","301","307","10.1007/s002690050118","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006560","11.1717","","11.1717","","11.1717","","90","","90","","90","","1394.31","","","","","","","","15280000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","8","0.0833333","","Zhang, L.; Ahsbahs, H.; Kutoglu, A.","Hydrostatic compression and crystal structure of pyrope to 33 GPa Sample: P = 15.28 GPa","Physics and Chemistry of Minerals","1998","25","","301","307","10.1007/s002690050118","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006561","11.0335","","11.0335","","11.0335","","90","","90","","90","","1343.2","","","","","","","","24070000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","8","0.0833333","","Zhang, L.; Ahsbahs, H.; Kutoglu, A.","Hydrostatic compression and crystal structure of pyrope to 33 GPa Sample: P = 24.07 GPa","Physics and Chemistry of Minerals","1998","25","","301","307","10.1007/s002690050118","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006562","10.9339","","10.9339","","10.9339","","90","","90","","90","","1307.15","","","","","","","","32470000","","","","","4","I a -3 d","-I 4bd 2c 3","230","","","Pyrope","- Al2 Mg3 O12 Si3 -","- Al2 Mg3 O12 Si3 -","- Al16 Mg24 O96 Si24 -","8","0.0833333","","Zhang, L.; Ahsbahs, H.; Kutoglu, A.","Hydrostatic compression and crystal structure of pyrope to 33 GPa Sample: P = 32.47 GPa","Physics and Chemistry of Minerals","1998","25","","301","307","10.1007/s002690050118","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006563","9.719","","8.814","","5.305","","90","","106.04","","90","","436.752","","","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","Pyroxene","- Al1.388 Ca0.742 Fe0.162 Mg0.016 O6 Si1.5 -","- Al1.388 Ca0.742 Fe0.162 Mg0.016 O6 Si1.5 -","- Al5.552 Ca2.968 Fe0.648 Mg0.064 O24 Si6 -","4","0.5","","Okui, M.; Sawada, H.; Marumo, F.","Structure refinement of a nonstoichiometric pyroxene synthesized under ambient pressure","Physics and Chemistry of Minerals","1998","25","","318","322","10.1007/s002690050121","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006564","5.277","","9.14","","9.78","","90","","101","","90","","463.04","","","","","","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","Nontronite","- Al0.536 Fe2 H2 Na0.5 O12 Si3.464 -","- Al0.536 Fe2 H2 Na0.5 O12 Si3.464 -","- Al1.072 Fe4 H4 Na O24 Si6.928 -","2","0.25","","Manceau, A.; Chateigner, D.; Gates, W. P.","Polarized EXAFS, distance-valence least-squares modelling (DVLS), and quantitative texture analysis approaches to the structural refinement of Garfield nontronite","Physics and Chemistry of Minerals","1998","25","","347","365","10.1007/s002690050125","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006565","9.388","","18.387","","5.347","","90","","90","","90","","922.984","","","","","","","","","","","","","6","P n m n","-P 2n 2n","58","","","Protoferro-anthophyllite","- Fe6.5 H2 Mg0.1 Mn0.4 O24 Si8 -","- Fe6.5 H2 Mg0.1 Mn0.4 O24 Si8 -","- Fe13 H4 Mg0.2 Mn0.8 O48 Si16 -","2","0.25","","Sueno, S.; Matsuura, S.; Gibbs, G. V.; Boisen, M. B.","A crystal chemical study of protoanthophyllite: orthoamphiboles with the protoamphibole structure Sample: PFA Hiruka Village","Physics and Chemistry of Minerals","1998","25","","366","377","10.1007/s002690050126","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006566","9.425","","18.303","","5.345","","90","","90","","90","","922.043","","","","","","","","","","","","","6","P n m n","-P 2n 2n","58","","","Protomangano-ferro-anthophyllite","- Fe4.699 H2 Mg0.901 Mn1.4 O24 Si8 -","- Fe4.699 H2 Mg0.901 Mn1.4 O24 Si8 -","- Fe9.398 H4 Mg1.802 Mn2.8 O48 Si16 -","2","0.25","","Sueno, S.; Matsuura, S.; Gibbs, G. V.; Boisen, M. B.","A crystal chemical study of protoanthophyllite: orthoamphiboles with the protoamphibole structure Sample: PMFA Yokene Mine","Physics and Chemistry of Minerals","1998","25","","366","377","10.1007/s002690050126","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:46",""
"9006567","7.947","","7.947","","7.947","","90","","90","","90","","501.891","","","","","","","","","","","","","4","F -4 3 m","F -4 2 3","216","","","","- Cd K2 O4 Si -","- Cd K2 O4.00008 Si -","- Cd4 K8 O16.0003 Si4 -","4","0.0416667","","Dollase, W. A.","Transformations of the stuffed cristobalites, K2MSiO4, M = Mg, Zn, Co, Cd, with temperature and composition","Physics and Chemistry of Minerals","1998","25","","389","392","10.1007/s002690050128","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006568","7.243","","7.546","","6.501","","81.43","","84.82","","69.6","","329.031","","","","","","","","","","synthesized at 1500 C","synthesized at 1500 C and 10 GPa","","3","P -1","-P 1","2","","","","- Ca O5 Si2 -","- Ca O5 Si2 -","- Ca4 O20 Si8 -","4","2","","Kudoh, Y.; Kanzaki, M.","Crystal chemical characteristics of alpha-CaSi2O5, a new high pressure calcium silicate with five-coordinated silicon synthesized at 1500 C and 10 GPa","Physics and Chemistry of Minerals","1998","25","","429","433","10.1007/s002690050132","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006569","8.1252","","8.1252","","8.1252","","90","","90","","90","","536.417","","","","298.15","","","","","","unheated, T = 25 C","","","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.839 Cr0.078 Fe0.283 Mg0.777 Ni0.014 O4 Si0.003 Zn0.007 -","- Al1.8392 Cr0.078 Fe0.2826 Mg0.7771 Mn0.0002 Ni0.0136 O4 Si0.0026 Ti0.0004 Zn0.0067 -","- Al14.7136 Cr0.624 Fe2.2608 Mg6.2168 Mn0.0016 Ni0.1088 O32 Si0.0208 Ti0.0032 Zn0.0536 -","8","0.0416667","","Menegazzo, G.; Carbonin, S.","Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: TS11B1, unheated, T = 25 C","Physics and Chemistry of Minerals","1998","25","","541","547","10.1007/s002690050146","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006570","8.1233","","8.1233","","8.1233","","90","","90","","90","","536.04","","","","","","","","","","quenched from T = 1150 C after 3 hours","","","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.835 Cr0.078 Fe0.29 Mg0.774 Ni0.014 O4 Si0.002 Zn0.007 -","- Al1.8354 Cr0.0782 Fe0.2896 Mg0.7743 Mn0.0002 Ni0.0136 O4 Si0.0019 Ti0.0004 Zn0.0068 -","- Al14.6832 Cr0.6256 Fe2.3168 Mg6.1944 Mn0.0016 Ni0.1088 O32 Si0.0152 Ti0.0032 Zn0.0544 -","8","0.0416667","","Menegazzo, G.; Carbonin, S.","Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: TS11B2, quenched from T = 1150 C after 3 hours","Physics and Chemistry of Minerals","1998","25","","541","547","10.1007/s002690050146","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006571","8.1218","","8.1218","","8.1218","","90","","90","","90","","535.743","","","","","","","","","","quenched from T = 1150 C after 5 hours","","","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.839 Cr0.078 Fe0.283 Mg0.777 Ni0.014 O4 Si0.003 Zn0.007 -","- Al1.8391 Cr0.078 Fe0.283 Mg0.7769 Mn0.0002 Ni0.0136 O4 Si0.0026 Ti0.0004 Zn0.0067 -","- Al14.7128 Cr0.624 Fe2.264 Mg6.2152 Mn0.0016 Ni0.1088 O32 Si0.0208 Ti0.0032 Zn0.0536 -","8","0.0416667","","Menegazzo, G.; Carbonin, S.","Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: TS11B3, quenched from T = 1150 C after 5 hours","Physics and Chemistry of Minerals","1998","25","","541","547","10.1007/s002690050146","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006572","8.107","","8.107","","8.107","","90","","90","","90","","532.82","","","","","","","","","","quenched from T = 1150 C after 27 hours","","","7","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.835 Cr0.079 Fe0.221 Mg0.775 Ni0.014 O4 Zn0.007 -","- Al1.8347 Cr0.0786 Fe0.2213 Mg0.7751 Mn0.0002 Ni0.0138 O4 Si0.0006 Ti0.0004 Zn0.0073 -","- Al14.6776 Cr0.6288 Fe1.7704 Mg6.2008 Mn0.0016 Ni0.1104 O32 Si0.0048 Ti0.0032 Zn0.0584 -","8","0.0416667","","Menegazzo, G.; Carbonin, S.","Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: TS11B4, quenched from T = 1150 C after 27 hours","Physics and Chemistry of Minerals","1998","25","","541","547","10.1007/s002690050146","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006573","8.1082","","8.1082","","8.1082","","90","","90","","90","","533.057","","","","","","","","","","quenched from T = 1150 C after 49 hours","","","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.84 Cr0.078 Fe0.213 Mg0.776 Ni0.014 O4 Si0.003 Zn0.007 -","- Al1.8403 Cr0.0782 Fe0.213 Mg0.7762 Mn0.0002 Ni0.0136 O4 Si0.0027 Ti0.0004 Zn0.0067 -","- Al14.7224 Cr0.6256 Fe1.704 Mg6.2096 Mn0.0016 Ni0.1088 O32 Si0.0216 Ti0.0032 Zn0.0536 -","8","0.0416667","","Menegazzo, G.; Carbonin, S.","Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: TS11B5, quenched from T = 1150 C after 49 hours","Physics and Chemistry of Minerals","1998","25","","541","547","10.1007/s002690050146","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006574","8.106","","8.106","","8.106","","90","","90","","90","","532.623","","","","","","","","","","quenched from T = 1150 C after 202 hours","","","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.838 Cr0.078 Fe0.216 Mg0.776 Ni0.014 O4 Si0.002 Zn0.007 -","- Al1.838 Cr0.0784 Fe0.2165 Mg0.7758 Mn0.0002 Ni0.0138 O4 Si0.0019 Ti0.0004 Zn0.007 -","- Al14.704 Cr0.6272 Fe1.732 Mg6.2064 Mn0.0016 Ni0.1104 O32 Si0.0152 Ti0.0032 Zn0.056 -","8","0.0416667","","Menegazzo, G.; Carbonin, S.","Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: TS11B6, quenched from T = 1150 C after 202 hours","Physics and Chemistry of Minerals","1998","25","","541","547","10.1007/s002690050146","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006575","8.111","","8.111","","8.111","","90","","90","","90","","533.609","","","","1423.15","","","","","","","","","8","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.839 Cr0.078 Fe0.216 Mg0.776 Ni0.014 O4 Si0.002 Zn0.007 -","- Al1.8386 Cr0.0784 Fe0.2157 Mg0.7759 Mn0.0002 Ni0.0138 O4 Si0.002 Ti0.0004 Zn0.0069 -","- Al14.7088 Cr0.6272 Fe1.7256 Mg6.2072 Mn0.0016 Ni0.1104 O32 Si0.016 Ti0.0032 Zn0.0552 -","8","0.0416667","","Menegazzo, G.; Carbonin, S.","Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: TS11B7, temperature lowered from T = 1150 C to 280 C in 117 hours","Physics and Chemistry of Minerals","1998","25","","541","547","10.1007/s002690050146","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006576","8.1259","","8.1259","","8.1259","","90","","90","","90","","536.555","","","","","","","","","","","","","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.808 Cr0.127 Fe0.225 Mg0.825 Ni0.008 O4 Si0.001 Ti0.004 Zn0.002 -","- Al1.8078 Cr0.1272 Fe0.2252 Mg0.8249 Mn0.0001 Ni0.0084 O4 Si0.0014 Ti0.0038 Zn0.002 -","- Al14.4624 Cr1.0176 Fe1.8016 Mg6.5992 Mn0.0008 Ni0.0672 O32 Si0.0112 Ti0.0304 Zn0.016 -","8","0.0416667","","Menegazzo, G.; Carbonin, S.","Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: LE20A1, unheated","Physics and Chemistry of Minerals","1998","25","","541","547","10.1007/s002690050146","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006577","8.1171","","8.1171","","8.1171","","90","","90","","90","","534.814","","","","","","","","","","quenched from T = 1150 C after 0.5 hours","","","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.802 Cr0.125 Fe0.219 Mg0.808 Ni0.008 O4 Si0.001 Ti0.004 Zn0.002 -","- Al1.8015 Cr0.1246 Fe0.219 Mg0.8081 Mn0.0001 Ni0.0082 O4 Si0.0014 Ti0.0038 Zn0.0019 -","- Al14.412 Cr0.9968 Fe1.752 Mg6.4648 Mn0.0008 Ni0.0656 O32 Si0.0112 Ti0.0304 Zn0.0152 -","8","0.0416667","","Menegazzo, G.; Carbonin, S.","Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: LE20A3, quenched from T = 1150 C after 0.5 hours","Physics and Chemistry of Minerals","1998","25","","541","547","10.1007/s002690050146","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006578","8.1166","","8.1166","","8.1166","","90","","90","","90","","534.715","","","","","","","","","","quenched from T = 1150 C after 5.5 hours","","","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.775 Cr0.125 Fe0.218 Mg0.808 Ni0.008 O4 Si0.002 Ti0.004 Zn0.002 -","- Al1.7754 Cr0.1246 Fe0.2181 Mg0.8083 Mn0.0001 Ni0.0082 O4 Si0.0015 Ti0.0038 Zn0.0018 -","- Al14.2032 Cr0.9968 Fe1.7448 Mg6.4664 Mn0.0008 Ni0.0656 O32 Si0.012 Ti0.0304 Zn0.0144 -","8","0.0416667","","Menegazzo, G.; Carbonin, S.","Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: LE20A4, quenched from T = 1150 C after 5.5 hours","Physics and Chemistry of Minerals","1998","25","","541","547","10.1007/s002690050146","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006579","8.1142","","8.1142","","8.1142","","90","","90","","90","","534.241","","","","","","","","","","quenched from T = 1150 C after 30.5 hours","","","9","F d -3 m :2","-F 4vw 2vw 3","227","","","Spinel","- Al1.771 Cr0.125 Fe0.222 Mg0.808 Ni0.009 O4 Si0.001 Ti0.004 Zn0.002 -","- Al1.7711 Cr0.1248 Fe0.2219 Mg0.8078 Mn0.0001 Ni0.0086 O4 Si0.0014 Ti0.0038 Zn0.0023 -","- Al14.1688 Cr0.9984 Fe1.7752 Mg6.4624 Mn0.0008 Ni0.0688 O32 Si0.0112 Ti0.0304 Zn0.0184 -","8","0.0416667","","Menegazzo, G.; Carbonin, S.","Oxidation mechanisms in Al-Mg-Fe spinels. A second stage: alpha-Fe2O3 exsolution Sample: LE20A5, quenched from T = 1150 C after 30.5 hours","Physics and Chemistry of Minerals","1998","25","","541","547","10.1007/s002690050146","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006580","4.9371","","5.2322","","7.2042","","90","","90","","90","","186.098","","","","","","","","0","","","","","3","P b n m","-P 2c 2ab","62","","","","- Al O3 Sc -","- Al O3 Sc -","- Al4 O12 Sc4 -","4","0.5","","Ross, N. L.","High pressure study of ScAlO3 perovskite Sample: P = 0.0 GPa","Physics and Chemistry of Minerals","1998","25","","597","602","10.1007/s002690050153","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006581","4.9192","","5.2155","","7.1684","","90","","90","","90","","183.913","","","","","","","","2580000","","","","","3","P b n m","-P 2c 2ab","62","","","","- Al O3 Sc -","- Al O3 Sc -","- Al4 O12 Sc4 -","4","0.5","","Ross, N. L.","High pressure study of ScAlO3 perovskite Sample: P = 2.58 GPa","Physics and Chemistry of Minerals","1998","25","","597","602","10.1007/s002690050153","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006582","4.9149","","5.2121","","7.162","","90","","90","","90","","183.469","","","","","","","","3210000","","","","","3","P b n m","-P 2c 2ab","62","","","","- Al O3 Sc -","- Al O3 Sc -","- Al4 O12 Sc4 -","4","0.5","","Ross, N. L.","High pressure study of ScAlO3 perovskite Sample: P = 3.21 GPa","Physics and Chemistry of Minerals","1998","25","","597","602","10.1007/s002690050153","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9006583","4.904","","5.2033","","7.1416","","90","","90","","90","","182.232","","","","","","","","4720000","","","","","3","P b n m","-P 2c 2ab","62","","","","- Al O3 Sc -","- Al O3 Sc -","- Al4 O12 Sc4 -","4","0.5","","Ross, N. L.","High pressure study of ScAlO3 perovskite Sample: P = 4.72 GPa","Physics and Chemistry of Minerals","1998","25","","597","602","10.1007/s002690050153","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:02",""
"9007508","8.6588","","5.48","","7.0299","","90","","90","","90","","333.57","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Avogadrite","- B F4 K -","- B F4 K -","- B4 F16 K4 -","4","0.5","","Brunton, G.","The crystal structure of KBF4","Acta Crystallographica, Section B","1969","25","","2161","2162","10.1107/S0567740869005309","","","","","","","","","","","","","","","","","","","","","has coordinates","291455","2024-05-02","11:21:04",""
"9007509","8.83","","5.9","","19.17","","90","","97.12","","90","","990.998","","","","","","","","","","","","","7","A 1 2/m 1","-A 2y","12","","","Pumpellyite-(Mg)","- Al2.71 Ca1.9 Fe0.15 H3 Mg0.45 O14 Si2.79 -","- Al2.71 Ca1.9 Fe0.15 H3 Mg0.45 O14 Si2.79 -","- Al10.84 Ca7.6 Fe0.6 H12 Mg1.8 O56 Si11.16 -","4","0.5","","Galli, E.; Alberti, A.","On the crystal structure of pumpellyite","Acta Crystallographica, Section B","1969","25","","2276","2281","10.1107/S0567740869005565","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9009594","5.755","","5.755","","25.12","","90","","90","","120","","720.512","","","","","","","","","","","","Campomorto, Montalto di Castro","5","P 63/m","-P 6c","176","","","Vertumnite","- Al2.126 Ca2 H22 O15.72 Si1.434 -","- Al2.126 Ca2 H13.42 O15.72 Si1.434 -","- Al4.252 Ca4 H26.84 O31.44 Si2.868 -","2","0.166667","","Galli, E.; Passaglia, E.","Vertumnite: its crystal structure and relationship with natural and synthetic phases Locality: Campomorto, Montalto di Castro","Tschermaks Mineralogische und Petrographische Mitteilungen","1978","25","","33","46","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009595","7.06","","10","","7.303","","90","","90","","90","","515.592","","","","","","","","","","","","Ivigtut, Greenland","4","I m m a","-I 2b 2","74","","","Weberite","- Al F7 Mg Na2 -","- Al F7 Mg Na2 -","- Al4 F28 Mg4 Na8 -","4","0.25","","Giuseppetti, G.; Tadini, C.","Re-examination of the crystal structure of weberite","Tschermaks Mineralogische und Petrographische Mitteilungen","1978","25","","57","62","","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:31",""
"9009596","10.228","","9.837","","7.284","","90.17","","98.44","","117.44","","641.284","","","","","","","","","","","","Big Chief mine, Glendale, South Dakota","5","P -1","-P 1","2","","","Strunzite","- Fe2 H14 Mn O16 P2 -","- Fe2 H14 Mn O16 P2 -","- Fe4 H28 Mn2 O32 P4 -","2","1","","Fanfani, L.; Tomassini, M.; Zanazzi, P. F.; Zanzari, A. R.","The crystal structure of strunzite, a contribution to the crystal chemistry of basic ferric-manganous hydrated phosphates","Tschermaks Mineralogische und Petrographische Mitteilungen","1978","25","","77","87","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009597","7.26","","6.78","","11.09","","90","","91.5","","90","","545.694","","","","","","","","","","","","Langban, Varmland, Sweden","5","P 1 n 1","P -2yac","7","","","Trigonite","- As3 H Mn O9 Pb3 -","- As3 H Mn O9 Pb3 -","- As6 H2 Mn2 O18 Pb6 -","2","1","","Pertlik, F.","The crystal structure of trigonite, Pb3Mn(AsO3)2(AsO2(OH))","Tschermaks Mineralogische und Petrographische Mitteilungen","1978","25","","95","105","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:47",""
"9009598","7.763","","6.046","","9.022","","90","","112.5","","90","","391.215","","","","","","","","","","","","Tsumeb, Namibia","6","P 1 21/m 1","-P 2yb","11","","","Arsenbrackebuschite","- As2 Fe0.65 H2.65 O9 Pb2 Zn0.35 -","- As2 Fe0.65 H1.35 O9 Pb2 Zn0.35 -","- As4 Fe1.3 H2.7 O18 Pb4 Zn0.7 -","2","0.5","","Hofmeister, W.; Tillmanns, E.","Strukturelle untersuchungen an arsenbrackebuschit","Tschermaks Mineralogische und Petrographische Mitteilungen","1978","25","","153","163","","","","","","","","","","","","","","","","","","","","","","has coordinates","283866","2023-05-18","12:54:10",""
"9009907","6.0549","","6.0717","","6.1587","","90","","113.197","","90","","208.111","","","","","","","","","","","","Synthetic","2","P 1 21/c 1","-P 2ybc","14","","","Iridarsenite","- As2 Ir -","- As2 Ir -","- As8 Ir4 -","4","1","","Kjekshus, A.","On the properties of binary compounds with the CoSb2 type crystal structure","Acta Chemica Scandinavica","1971","25","","411","422","10.3891/acta.chem.scand.25-0411","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009908","5.9106","","5.868","","5.9587","","90","","116.432","","90","","185.064","","","","","","","","","","","","Synthetic","2","P 1 21/c 1","-P 2ybc","14","","","Clinosafflorite","- As2 Co -","- As2 Co -","- As8 Co4 -","4","1","","Kjekshus, A.","On the properties of binary compounds with the CoSb2 type crystal structure","Acta Chemica Scandinavica","1971","25","","411","422","10.3891/acta.chem.scand.25-0411","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9009909","7.604","","5.837","","12.705","","90","","90","","90","","563.906","","","","","","","","","","","","Synthetic","3","P m c n","-P 2n 2a","62","","","Balyakinite","- Cu O3 Te -","- Cu O3 Te -","- Cu8 O24 Te8 -","8","1","","Lindqvist, O.","On the crystal structures of CuTeO3 and CuTe2O5","Acta Chemica Scandinavica","1971","25","","740","740","10.3891/acta.chem.scand.25-0740","","","","","","","","","","","","","","","","","","","","","has coordinates","291735","2024-05-06","08:06:32",""
"9011089","2.766","","8.053","","3.332","","90","","92.02","","90","","74.173","","","","248.15","","","","","","","","Synthetic","1","C 1 2/c 1","-C 2yc","15","Gallium","","Gallium","- Ga -","- Ga -","- Ga4 -","4","0.5","","Bosio, L.; Defrain, A.; Curien, H.; Rimsky, A.","Structure cristalline du gallium-beta Sample: at T = 248.15 K Note: structure known as beta phase","Acta Crystallographica, Section B","1969","25","","995","995","10.1107/S0567740869003360","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011090","21.4","","3.06","","5.88","","90","","98","","90","","381.299","","","","","","","","","","","","","3","P 1 21/m 1","-P 2yb","11","","","","- Fe7 O10 Si -","- Fe7 O10 Si -","- Fe14 O20 Si2 -","2","0.5","","Smuts, J.; Steyn, J. G. D.; Boeyens, J. C. A.","The crystal structure of an iron silicate, iscorite","Acta Crystallographica, Section B","1969","25","","1251","1255","10.1107/S0567740869003906","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011091","9.424","","9.424","","6.879","","90","","90","","120","","529.086","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","Hydroxylapatite","- Ca5 H O13 P3 -","- Ca5 H O13 P3 -","- Ca10 H2 O26 P6 -","2","0.166667","","Sudarsanan, K.; Young, R. A.","Significant precision in crystal structural details: Holly Springs hydroxyapatite Locality: Holly Springs, Cherokee County, Georgia, USA Sample: X-23-4","Acta Crystallographica, Section B","1969","25","","1534","1543","10.1107/S0567740869004298","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9011092","9.424","","9.424","","6.879","","90","","90","","120","","529.086","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","Hydroxylapatite","- Ca5 H O13 P3 -","- Ca5 H O13 P3 -","- Ca10 H2 O26 P6 -","2","0.166667","","Sudarsanan, K.; Young, R. A.","Significant precision in crystal structural details: Holly Springs hydroxyapatite Locality: Holly Springs, Cherokee County, Georgia, USA Sample: X-23-6","Acta Crystallographica, Section B","1969","25","","1534","1543","10.1107/S0567740869004298","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9011093","9.424","","9.424","","6.879","","90","","90","","120","","529.086","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","Hydroxylapatite","- Ca5 H O13 P3 -","- Ca5 H O13 P3 -","- Ca10 H2 O26 P6 -","2","0.166667","","Sudarsanan, K.; Young, R. A.","Significant precision in crystal structural details: Holly Springs hydroxyapatite Locality: Holly Springs, Cherokee County, Georgia, USA Sample: X-23-10","Acta Crystallographica, Section B","1969","25","","1534","1543","10.1107/S0567740869004298","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9011094","9.424","","9.424","","6.879","","90","","90","","120","","529.086","","","","","","","","","","","","","4","P 63/m","-P 6c","176","","","Hydroxylapatite","- Ca5 H O13 P3 -","- Ca5 H O13 P3 -","- Ca10 H2 O26 P6 -","2","0.166667","","Sudarsanan, K.; Young, R. A.","Significant precision in crystal structural details: Holly Springs hydroxyapatite Locality: Holly Springs, Cherokee County, Georgia, USA Sample: Neutron","Acta Crystallographica, Section B","1969","25","","1534","1543","10.1107/S0567740869004298","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9011099","8.89","","5.08","","6.63","","103.17","","107.08","","77.87","","275.366","","","","","","","","","","","","Almeria, Spain","4","P -1","-P 1","2","","","Rodalquilarite","- Cl Fe2 O12 Te4 -","- Cl Fe2 O12 Te4 -","- Cl Fe2 O12 Te4 -","1","0.5","","Dusausoy, Y.; Protas, J.","Determination et etude de la structure cristalline de la rodalquilarite, chlorotellurite acide de fer","Acta Crystallographica, Section B","1969","25","","1551","1558","10.1107/S0567740869004316","","","","","","","","","","","","","","","","","","","","","has coordinates","291792","2024-05-09","08:53:47",""
"9011100","11.06","","11.06","","10.5","","90","","90","","120","","1112.32","","","","","","","","","","","","Tachgagalt mine, Morocco","6","P 63","P 6c","173","","","Jouravskite","- C H30 Ca3 Mn O25 S -","- C H30 Ca3 Mn O25 S -","- C2 H60 Ca6 Mn2 O50 S2 -","2","0.333333","","Granger, M. M.; Protas, J.","Determination et etude de la structure cristalline de la jouravskite Ca3MnIV(SO4)(CO3)(OH)*12(H2O)","Acta Crystallographica, Section B","1969","25","","1943","1951","10.1107/S0567740869005000","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:48",""
"9011101","9.47","","7.63","","11.65","","90","","97.08","","90","","835.365","","","","","","","","","","","","Synthetic","4","P 1 21/c 1","-P 2ybc","14","","","Larderellite","- B5 H4 N O10 -","- B5 H4 N O10 -","- B20 H16 N4 O40 -","4","1","","Merlino, S.; Sartori, F.","The crystal structure of lardellite, NH4B5O7(OH)2*H2O","Acta Crystallographica, Section B","1969","25","","2264","2270","10.1107/S0567740869005541","","","","","","","","","","","","","","","","","","","","","has coordinates","283850","2023-05-18","07:16:48",""
"9011102","12.83","","9.026","","13.44","","90","","123","","90","","1305.31","","","","","","","","","","","","Synthetic","4","C 1 c 1","C -2yc","9","","","Natron","- C H20 Na2 O13 -","- C H20 Na2 O13 -","- C4 H80 Na8 O52 -","4","1","","Taga, T.","Crystal structure of Na2CO3*10H2O","Acta Crystallographica, Section B","1969","25","","2656","2657","10.1107/S0567740869006236","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:34",""
"9011602","4.046","","4.046","","4.046","","90","","90","","90","","66.233","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Aluminum","","Aluminum","- Al -","- Al -","- Al4 -","4","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17",""
"9011603","3.499","","3.499","","3.499","","90","","90","","90","","42.838","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Nickel","","Nickel","- Ni -","- Ni -","- Ni4 -","4","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17",""
"9011604","3.597","","3.597","","3.597","","90","","90","","90","","46.539","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Copper","","Copper","- Cu -","- Cu -","- Cu4 -","4","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1,2 & 3","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17",""
"9011605","3.142","","3.142","","3.142","","90","","90","","90","","31.018","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Molybdenum","","Molybdenum","- Mo -","- Mo -","- Mo2 -","2","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17",""
"9011606","3.136","","3.136","","3.136","","90","","90","","90","","30.841","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Molybdenum","","Molybdenum","- Mo -","- Mo -","- Mo2 -","2","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 3 & 4","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17",""
"9011607","4.079","","4.079","","4.079","","90","","90","","90","","67.867","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Silver","","Silver","- Ag -","- Ag -","- Ag4 -","4","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17",""
"9011608","4.058","","4.058","","4.058","","90","","90","","90","","66.825","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Silver","","Silver","- Ag -","- Ag -","- Ag4 -","4","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 3 & 4","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17",""
"9011609","3.155","","3.155","","3.155","","90","","90","","90","","31.405","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Tungsten","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17",""
"9011610","3.157","","3.157","","3.157","","90","","90","","90","","31.465","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Tungsten","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: run 3","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17",""
"9011611","3.158","","3.158","","3.158","","90","","90","","90","","31.495","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Tungsten","","Tungsten","- W -","- W -","- W2 -","2","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 3 & 4","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17",""
"9011612","4.065","","4.065","","4.065","","90","","90","","90","","67.171","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Gold","","Gold","- Au -","- Au -","- Au4 -","4","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17",""
"9011613","4.073","","4.073","","4.073","","90","","90","","90","","67.568","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Gold","","Gold","- Au -","- Au -","- Au4 -","4","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1,2 & 3","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17",""
"9011614","4.539","","4.539","","11.829","","90","","90","","120","","211.057","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","Bismuth","Bismuth","Bismuth","- Bi -","- Bi -","- Bi2 -","2","0.0833333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","296114","2024-11-26","14:08:45",""
"9011655","4.73","","4.73","","3.18","","90","","90","","90","","71.146","","","","","","","","33500000","","","","Synthetic","1","P 4/n m m :1","P 4ab 2ab -1ab","129","Scandium","","Scandium","- Sc -","- Sc -","- Sc4 -","4","0.25","","Vohra, Y. K.; Grosshans, W.; Holzapfel, W. B.","High-pressure phase transformation in scandium Sample: at P = 33.5 GPa","Physical Review B","1982","25","","6019","6021","10.1103/PhysRevB.25.6019","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011876","8.9207","","11.4481","","5.0759","","90","","90","","108.32","","492.103","","","","","","","","","","","","Synthetic","4","P 1 1 21/b","-P 2bc","14","","","Reinhardbraunsite","- Ca5 H2 O10 Si2 -","- Ca5 H2 O10 Si2 -","- Ca10 H4 O20 Si4 -","2","0.5","","Kuznetsova, T. P.; Nevskii, N. N.; Ilyukhin, V. V.; Belov, N. V.","Refinement of the crystal structure of calcium chondrodite Ca5[SiO4]2(OH)2=Ca(OH)2*2Ca2SiO4 Locality: synthetic","Soviet Physics Crystallography","1980","25","","91","92","","","","","","","","","","","","","","","","","","","","","","has coordinates","293658","2024-08-03","10:24:27",""
"9011877","7.303","","12.201","","14.715","","90","","91.93","","90","","1310.42","","","","","","","","","","","","Khibiny pegmatites, Kola Peninsula, Russia","5","P 1 2/c 1","-P 2yc","13","","","Clinophosinaite","- Ca2 Na6 O14 P2 Si2 -","- Ca2 Na6 O14 P2 Si2 -","- Ca8 Na24 O56 P8 Si8 -","4","1","","Krutik, V. M.; Pushcharovsky, D. Y.; Khomyakov, A. P.; Pobedimskaya, E. A.; Belov, N. V.","Anion radical of mixed type (four [S4O12] rings and P orthotetrahedra) in the structure of monoclinic fosinaite","Soviet Physics Crystallography","1980","25","","138","142","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011878","7.5","","15.62","","7.35","","90","","90","","90","","861.052","","","","","","","","","","","","","5","P m m 2","P 2 -2","25","","","Sazhinite-(Ce)","- Ce2 H8 Na4 O33 Si12 -","- Ce2 H8 Na4 O33 Si12 -","- Ce2 H8 Na4 O33 Si12 -","1","0.25","","Shumyatskaya, N. G.; Voronkov, A. A.; Pyatenko, Y. A.","Sazhinite, Na2Ce[Si6O14(OH)]*nH2O: a new representative of the dalyite family in crystal chemistry","Soviet Physics Crystallography","1980","25","","419","423","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:49",""
"9011899","8.997","","6.741","","5.163","","90","","90.16","","90","","313.128","","","","","","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","Sidorenkite","- C Mn Na3 O7 P -","- C Mn Na3 O7 P -","- C2 Mn2 Na6 O14 P2 -","2","0.5","","Kurova, T. A.; Shumyatskaya, N. G.; Voronkov, A. A.; Pyatenko, Y. A.","Crystal structure of sidorenkite Na3Mn(PO4)(CO3)","Soviet Physics Doklady","1980","25","","156","157","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9011900","12.45","","5.514","","11.145","","90","","90","","104.13","","741.948","","","","","","","","","","","","","5","P 1 1 21/b","-P 2bc","14","","","Clinokurchatovite","- B2 Ca Fe0.11 Mg0.89 O5 -","- B2 Ca Fe0.11 Mg0.89 O5 -","- B16 Ca8 Fe0.88 Mg7.12 O40 -","8","2","","Simonov, M. A.; Egorov-Tismenko Y K; Yamnova, M. A.; Belokoneva, E. L.; Belov, N. V.","Crystal structure of natural monoclinic kurchatovite Ca2(Mg0.86Fe0.14)(Mg0.92Fe0.08)[B2O5]2","Soviet Physics Doklady","1980","25","","1125","1128","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:45",""
"9012513","17.492","","9.038","","9.349","","90","","96.23","","90","","1469.28","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Giniite","- Fe5 H6 O20 P4 -","- Fe5 H6 O20 P4 -","- Fe20 H24 O80 P16 -","4","0.5","","Corbin, D. R.; Whitney, J. F.; Fultz, W. C.; Stucky, G. D.; Eddy, M. M.; Cheetham, A. K.","Synthesis of open-framework transition-metal phosphates using organometallic precursors in acidic media. Preparation and structural characterization of Fe5P4O20H10 and NaFe3P3O12 Note: structure from ICSD","Inorganic Chemistry","1986","25","","2279","2280","10.1021/ic00234a001","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012514","11.998","","12.328","","6.5","","90","","114.185","","90","","877.037","","","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","Ferroalluaudite","- Fe3 Na O12 P3 -","- Fe3 Na O12 P3 -","- Fe12 Na4 O48 P12 -","4","0.5","","Corbin, D. R.; Whitney, J. F.; Fultz, W. C.; Stucky, G. D.; Eddy, M. M.; Cheetham, A. K.","Synthesis of open-framework transition-metal phosphates using organometallic precursors in acidic media. Preparation and structural characterization of Fe5P4O20H10 and NaFe3P3O12 Note: structure from ICSD","Inorganic Chemistry","1986","25","","2279","2280","10.1021/ic00234a001","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""
"9012547","7.799","","7.79","","8.23","","90","","119.95","","90","","433.237","","","","","","","","","","","","","4","C 1 c 1","C -2yc","9","","","Matteuccite","- H3 Na O5 S -","- H3 Na O5 S -","- H12 Na4 O20 S4 -","4","1","","Grimvall, S.","The crystal structure of NaHSO4H2O","Acta Chemica Scandinavica","1971","25","","3213","3219","10.3891/acta.chem.scand.25-3213","","","","","","","","","","","","","","","","","","","","","has coordinates","282068","2023-03-26","10:30:05",""
"9013144","13.4656","","5.7356","","11.0977","","90","","100.636","","90","","842.386","","","","","","","","","","","","Bayun Obo, Inner Mongolia, China","9","P 1 21/a 1","-P 2yab","14","","","Dingdaohengite-(Ce)","- Ca0.44 Ce2.1 Fe1.72 La1.46 Mg0.4 Nb0.04 O22 Si4 Ti2.84 -","- Ca0.44 Ce2.1 Fe1.72 La1.46 Mg0.4 Nb0.04 O22 Si4 Ti2.84 -","- Ca0.88 Ce4.2 Fe3.44 La2.92 Mg0.8 Nb0.08 O44 Si8 Ti5.68 -","2","0.5","","Li, G.; Yang, G.; Ma, Z.; Shi, N.; Xiong, M.; Sheng, G.; Fan, H.","The crystal structure of a new mineral dingdaohengite-(Ce)","Kuangwu Xuebao","2005","25","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013145","13.4656","","5.7356","","11.0977","","90","","100.636","","90","","842.386","","","","","","","","","","","","Bayun Obo, Inner Mongolia, China","9","C 1 2/m 1","-C 2y","12","","","Dingdaohengite-(Ce)","- Ca0.44 Ce2.1 Fe1.72 La1.46 Mg0.4 Nb0.04 O22 Si4 Ti2.84 -","- Ca0.44 Ce2.1 Fe1.72 La1.46 Mg0.4 Nb0.04 O22 Si4 Ti2.84 -","- Ca0.88 Ce4.2 Fe3.44 La2.92 Mg0.8 Nb0.08 O44 Si8 Ti5.68 -","2","0.25","","Li, G.; Yang, G.; Ma, Z.; Shi, N.; Xiong, M.; Sheng, G.; Fan, H.","The crystal structure of a new mineral dingdaohengite-(Ce)","Kuangwu Xuebao","2005","25","","313","320","","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:48",""
"9013414","2.858","","2.858","","2.858","","90","","90","","90","","23.345","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17",""
"9013415","2.855","","2.855","","2.855","","90","","90","","90","","23.271","","","","","","","","","","","","","1","I m -3 m","-I 4 2 3","229","Iron","","Iron","- Fe -","- Fe -","- Fe2 -","2","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 3 & 4","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17",""
"9013416","3.859","","3.859","","3.859","","90","","90","","90","","57.468","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Palladium","","Palladium","- Pd -","- Pd -","- Pd4 -","4","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17",""
"9013417","3.912","","3.912","","3.912","","90","","90","","90","","59.868","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Platinum","","Platinum","- Pt -","- Pt -","- Pt4 -","4","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of three runs","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17",""
"9013418","4.92","","4.92","","4.92","","90","","90","","90","","119.095","","","","","","","","","","","","","1","F m -3 m","-F 4 2 3","225","Lead","","Lead","- Pb -","- Pb -","- Pb4 -","4","0.0208333","","Davey, W. P.","Lattice constants of twelve common metals Locality: synthetic Note: lattice parameter is average of runs 1 & 2","Physical Review","1925","25","","753","761","10.1103/PhysRev.25.753","","","","","","","","","","","","","","","","","","","","","has coordinates","264647","2021-04-28","11:19:17",""
"9013469","5.4253","","14.7687","","5.598","","90","","90","","90","","448.538","","","","","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","Srebrodolskite","- Ca2 Fe2 O5 -","- Ca2 Fe2 O5 -","- Ca8 Fe8 O20 -","4","0.5","","Berggren, J.","Refinement of the crystal structure of dicalcium ferrite, Ca2Fe2O5","Acta Chemica Scandinavica","1971","25","","3616","3624","10.3891/acta.chem.scand.25-3616","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:49",""
"9014118","5.566","","15.52","","5.506","","90","","90","","90","","475.632","","","","","","","","","","","","Synthetic","3","P b m a","-P 2a 2ab","57","","","Lueshite","- Na Nb O3 -","- Na Nb O3 -","- Na8 Nb8 O24 -","8","1","","Sakowski-Cowley A C; Lukaszewicz, K.; Megaw, H. D.","The structure of sodium niobate at room temperature, and the problem of reliability in pseudosymmetric structures","Acta Crystallographica, Section B","1969","25","","851","865","10.1107/S0567740869003141","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:17",""
"9014372","15.869","","15.869","","7.188","","90","","90","","120","","1567.61","","","","","","","","","","","","Mexquitic, San Luis Potosi, Mexico","7","R 3 m :H","R 3 -2""","160","","","Fluor-buergerite","- Al6 B3 F Fe3 Na O30 Si6 -","- Al6 B3 F Fe3 Na O30 Si6 -","- Al18 B9 F3 Fe9 Na3 O90 Si18 -","3","0.166667","","Barton, R.","Refinement of the crystal structure of buergerite and the absolute orientation of tourmalines","Acta Crystallographica, Section B","1969","25","","1524","1533","10.1107/S0567740869004286","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:10",""
"9015441","6.8064","","9.2567","","17.732","","90","","90","","90","","1117.2","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- N O6 P V -","- N O6 P V -","- N8 O48 P8 V8 -","8","1","","Amoros, P.; Beltran-Porter D; Le Bail, A.; Ferey, G.; Villeneuve, G.","Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved from X-ray powder diffraction _cod_database_code 1000080","European Journal of Solid State and Inorganic Chemistry","1988","25","","599","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9015591","15.262","","5.033","","7.457","","90","","107.34","","90","","546.767","","","","","","","","","","","","Synthetic","3","P 1 21/a 1","-P 2yab","14","","","","- Li Nb3 O8 -","- Li Nb3 O8 -","- Li4 Nb12 O32 -","4","1","","Lundberg, M.","The crystal structure of LiNb3O8 Note: isostructural with lithiotantite","Acta Chemica Scandinavica","1971","25","","3337","3346","10.3891/acta.chem.scand.25-3337","","","","","","","","","","","","","","","","","","","","","has coordinates","292002","2024-05-23","10:01:19",""
"9016197","6.8182","","9.291","","17.631","","90","","90","","90","","1116.89","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- O6 P Rb V -","- O6 P Rb V -","- O48 P8 Rb8 V8 -","8","1","","Amoros, P.; Beltran-Porter D; Le Bail, A.; Ferey, G.; Villeneuve, G.","Crystal structure of A(VO2)(HPO4)(A=NH4,K,Rb) solved from X-ray powder diffraction _cod_database_code 1000081","European Journal of Solid State and Inorganic Chemistry","1988","25","","599","607","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016263","6.889","","16.814","","6.902","","90.01","","89.99","","90.32","","799.458","","","","","","","","","","","","Aunik F-Be deposit, Transbaikalia, Eastern-Siberian Region, Russia","5","F 1","F 1","1","","","Babefphite","- Ba Be F O4 P -","- Ba Be F O4 P -","- Ba8 Be8 F8 O32 P8 -","8","","","Simonov, M. A.; Egorov-Tismenko Y K; Belov, N. V.","Use of modern X-ray equipment to solve fine problems of structural mineralogy by the example of the crystal structure of babefphite BaBe(PO4)F","Soviet Physics Crystallography","1980","25","","28","31","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:54",""
"9016662","10.31","","8.07","","6.62","","90","","92.68","","90","","550.193","","","","","","","","","","","","Andreasberg, Harz, Germany","4","P 1 21/n 1","-P 2yn","14","","","Samsonite","- Ag4 Mn S6 Sb2 -","- Ag4 Mn S6 Sb2 -","- Ag8 Mn2 S12 Sb4 -","2","0.5","","Hruskova, J.; Synecek, V.","The crystal structure of samsonite, 2 Ag2S*MnS*Sb2S3","Acta Crystallographica, Section B","1969","25","5","1004","1006","10.1107/S0567740869003414","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:55",""
"9017211","5.42","","11.064","","5.5383","","90","","90","","90","","332.115","","","","","","","","","","","","Hatrurim Basin, Israel","5","P m m a","-P 2a 2a","51","","","Shulamitite","- Al0.824 Ca3 Fe1.176 O8 Ti -","- Al0.824 Ca3 Fe1.176 O8 Ti -","- Al1.648 Ca6 Fe2.352 O16 Ti2 -","2","0.25","","Sharygin, V. V.; Lazic, B.; Armbruster, T. M.; Murashko, M. N.; Wirth, R.; Galuskina, I. O.; Galuskin, E. V.; Vapnik, Y.; Britvin, S. N.; Logvinova, A. M.","Shulamitite Ca3TiFe3+AlO8 - a new perovskite-related mineral from Hatrurim Basin, Israel","European Journal of Mineralogy","2013","25","","97","111","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017212","5.5173","","27.26","","6.815","","90","","106.73","","90","","981.601","","","","","","","","","","","","Synthetic","4","P 1 21/m 1","-P 2yb","11","","","","- Ba O24 Si7 Yb6 -","- Ba O24 Si7 Yb6 -","- Ba2 O48 Si14 Yb12 -","2","0.5","","Wierzbicka-Wieczorek M; Kolitsch, U.","BaYb6(Si2O7)2(Si3O10) - the first silicate containing both Si2O7 and Si3O10 groups: synthesis, crystal chemistry and topology","European Journal of Mineralogy","2013","25","","509","517","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017213","8.5497","","13.0216","","7.1843","","90","","115.988","","90","","718.959","","","","","","","","","","","","Unknown","6","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al Cs0.02 K0.83 Na0.15 O8 Si3 -","- Al Cs0.02 K0.83 Na0.15 O8 Si3 -","- Al4 Cs0.08 K3.32 Na0.6 O32 Si12 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Sample H002","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017214","8.5739","","12.9874","","7.2018","","90","","116.042","","90","","720.521","","","","","","","","","","","","Unknown","5","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K0.93 Na0.07 O8 Si3 -","- Al K0.93 Na0.07 O8 Si3 -","- Al4 K3.72 Na0.28 O32 Si12 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Sample H003","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017215","8.5739","","12.9874","","7.2018","","90","","116.042","","90","","720.521","","","","","","","","","","","","Unknown","5","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K0.92 Na0.08 O8 Si3 -","- Al K0.92 Na0.08 O8 Si3 -","- Al4 K3.68 Na0.32 O32 Si12 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Gemini RT Data, Sample H003","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017216","8.575","","12.984","","7.2008","","90","","116.028","","90","","720.41","","","","293","","","","","","","","Unknown","5","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K0.92 Na0.08 O8 Si3 -","- Al K0.92 Na0.08 O8 Si3 -","- Al4 K3.68 Na0.32 O32 Si12 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 293 K, Sample H003_RTend","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017217","8.5752","","12.986","","7.2013","","90","","116.023","","90","","720.619","","","","293","","","","","","","","Unknown","5","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K0.92 Na0.08 O8 Si3 -","- Al K0.92 Na0.08 O8 Si3 -","- Al4 K3.68 Na0.32 O32 Si12 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 293 K, Sample H003_RT","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017218","8.6159","","12.9806","","7.1991","","90","","115.956","","90","","723.93","","","","600","","","","","","","","Unknown","5","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K0.92 Na0.08 O8 Si3 -","- Al K0.92 Na0.08 O8 Si3 -","- Al4 K3.68 Na0.32 O32 Si12 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 600 K, Sample H003","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017219","8.6609","","12.977","","7.2003","","90","","115.876","","90","","728.124","","","","900","","","","","","","","Unknown","5","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K0.92 Na0.08 O8 Si3 -","- Al K0.92 Na0.08 O8 Si3 -","- Al4 K3.68 Na0.32 O32 Si12 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 900 K, Sample H003","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017220","8.6849","","12.9747","","7.203","","90","","115.819","","90","","730.638","","","","1075","","","","","","","","Unknown","5","C 1 2/m 1","-C 2y","12","","","Orthoclase","- Al K0.92 Na0.08 O8 Si3 -","- Al K0.92 Na0.08 O8 Si3 -","- Al4 K3.68 Na0.32 O32 Si12 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: T = 1075 K, Sample H003","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017221","8.3463","","12.9877","","7.1683","","90","","116.18","","90","","697.324","","","","","","","","","","","","Synthetic","6","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al1.04 Ba0.02 K0.4 Na0.58 O8 Si2.96 -","- Al1.04 Ba0.02 K0.4 Na0.58 O8 Si2.96 -","- Al4.16 Ba0.08 K1.6 Na2.32 O32 Si11.84 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Sample San40, cation-exchanged sanidine","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017222","8.6032","","13.0237","","7.1885","","90","","115.994","","90","","723.961","","","","","","","","","","","","Synthetic","5","C 1 2/m 1","-C 2y","12","","","Sanidine","- Al Ba0.02 K0.98 O8 Si3 -","- Al Ba0.02 K0.98 O8 Si3 -","- Al4 Ba0.08 K3.92 O32 Si12 -","4","0.5","","Angel, R. J.; Ross, N. L.; Zhao, J.; Sochalski-Kolbus L; Kruger, H.; Schmidt, B. C.","Structural controls on the anisotropy of tetrahedral frameworks: the example of monoclinic feldspars Note: Sample San100","European Journal of Mineralogy","2013","25","","597","614","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017223","7.0618","","38.42","","6.5734","","90","","90","","90","","1783.46","","","","","","","","","","","","Pian di Celle volcano, Umbria, Italy","10","P m m n :2","-P 2ab 2a","59","","","Umbrianite","- Al3.1 Ca2.5 Cl1.9 F2.1 Fe0.3 K6.5 Mg0.1 Na1.6 O29 Si9.6 -","- Al3.1 Ca2.5 Cl1.9 F2.1 Fe0.3 K6.5 Mg0.1 Na1.6 O29 Si9.6 -","- Al6.2 Ca5 Cl3.8 F4.2 Fe0.6 K13 Mg0.2 Na3.2 O58 Si19.2 -","2","0.25","","Sharygin, V. V.; Pekov, I. V.; Zubkova, N. V.; Khomyakov, A. P.; Stoppa, F.; Pushcharovsky, D. Y.","Umbrianite, K7Na2Ca2[Al3Si10O29]F2Cl2, a new mineral species from melilitolite of the Pian di Celle volcano, Umbria, Italy","European Journal of Mineralogy","2013","25","","655","669","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:35",""
"9017224","12.64","","13.007","","6.7","","90","","113.828","","90","","1007.64","","","","","","","","","","","","Tolbachik fumaroles, Kamchatka peninsula, Russia","10","C 1 2/c 1","-C 2yc","15","","","Hatertite","- Al0.38 As3 Ca0.73 Cu0.4 Fe0.9 K0.3 Mn0.13 Na1.69 O12 Zn0.32 -","- Al0.38 As3 Ca0.73 Cu0.4 Fe0.9 K0.3 Mn0.13 Na1.69 O12 Zn0.32 -","- Al1.52 As12 Ca2.92 Cu1.6 Fe3.6 K1.2 Mn0.52 Na6.76 O48 Zn1.28 -","4","0.5","","Krivovichev, S. V.; Vergasova, L. P.; Filatov, S. K.; rybin D S; Britvin, S. N.; Ananiev, V. V.","Hatertite, Na2(Ca,Na)(Fe3+,Cu)2(AsO4)3, a new alluaudite-group mineral from Tolbachik fumaroles, Kamchatka peninsula, Russia","European Journal of Mineralogy","2013","25","","683","691","","","","","","","","","","","","","","","","","","","","","","has coordinates","283960","2023-05-23","08:42:11",""
"9017225","3.0113","","14.259","","14.932","","90","","90","","90","","641.152","","","","","","","","","","","","Majuba Hill, Nevada, USA","4","P m n 21","P 2ac -2","31","","","Parnauite","- As Cu5 H8 O15 -","- As Cu5 H8 O15 -","- As2 Cu10 H16 O30 -","2","0.5","","Mills, S. J.; Kampf, A. R.; McDonald, A. M.; Bindi, L.; Christy, A. G.; Kolitsch, U.; Favreau, G.","The crystal structure of parnauite: a copper arsenate-sulphate with translational disorder of structural rods","European Journal of Mineralogy","2013","25","","693","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017226","3.0088","","14.212","","14.89","","90","","90","","90","","636.712","","","","","","","","","","","","Cap Garonne, Var, France","4","P m n 21","P 2ac -2","31","","","Parnauite","- As0.5 Cu2.5 H2.15 O6.575 -","- As0.5 Cu2.5 H2.15 O6.575 -","- As2 Cu10 H8.6 O26.3 -","4","1","","Mills, S. J.; Kampf, A. R.; McDonald, A. M.; Bindi, L.; Christy, A. G.; Kolitsch, U.; Favreau, G.","The crystal structure of parnauite: a copper arsenate-sulphate with translational disorder of structural rods","European Journal of Mineralogy","2013","25","","693","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017227","6.02","","13.99","","15.42","","90","","90","","90.01","","1298.67","","","","","","","","","","","","","4","P 1 1 21","P 2c","4","","","Parnauite","- As Cu4.5 O15.25 S0.5 -","- As Cu4.5 O15.25 S0.5 -","- As4 Cu18 O61 S2 -","4","2","","Mills, S. J.; Kampf, A. R.; McDonald, A. M.; Bindi, L.; Christy, A. G.; Kolitsch, U.; Favreau, G.","The crystal structure of parnauite: a copper arsenate-sulphate with translational disorder of structural rods Note: theoretical data","European Journal of Mineralogy","2013","25","","693","704","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""
"9017228","7.2958","","7.2958","","15.396","","90","","90","","90","","819.509","","","","","","","","4130000","","","","Synthetic","5","P 4/n c c :2","-P 4a 2ac","130","","","Gillespite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba2 Cu4 O40 Si16 Sr2 -","4","0.25","","Knight, K. S.; Marshall, W. G.; Henderson, C. M. B.; Chamberlain, A. A.","Equation of state and a high-pressure structural phase transition in the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Note: P = 4.13 GPa","European Journal of Mineralogy","2013","25","","909","917","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017229","7.2623","","7.2623","","15.252","","90","","90","","90","","804.406","","","","","","","","4770000","","","","Synthetic","5","P 4 21 2 (a-1/4,b+1/4,c)","P 4ab 2ab (x+1/4,y-1/4,z)","90","","","Gillespite","- Ba0.5 Cu O10 Si4 Sr0.5 -","- Ba0.5 Cu2 O20 Si8 Sr0.5 -","- Ba Cu4 O40 Si16 Sr -","2","","","Knight, K. S.; Marshall, W. G.; Henderson, C. M. B.; Chamberlain, A. A.","Equation of state and a high-pressure structural phase transition in the gillespite-structured phase Ba0.5Sr0.5CuSi4O10 Note: P = 4.77 GPa","European Journal of Mineralogy","2013","25","","909","917","","","","","","","","","","","","","","","","","","","","","","has coordinates","292100","2024-05-29","14:19:56",""
"9017230","4.1192","","17.4167","","19.1664","","96.127","","90.015","","91.229","","1366.88","","","","","","","","","","","","Ceragiola marble quarry, Apuan Alps, Tuscany, Italy","3","P -1","-P 1","2","","","Disulfodadsonite","- Pb5.38 S15.5 Sb6.62 -","- Pb5.38 S15.5 Sb6.62 -","- Pb10.76 S31 Sb13.24 -","2","1","","Orlandi, P.; Biagioni, C.; Moelo, Y.; Bonaccorsi, E.","Lead-antimony sulfosalts from Tuscany (Italy). XIV. Disulfodadsonite, Pb11Sb13S30(S2)0.5, a new mineral from the Ceragiola marble quarry, Apuan Alps: occurrence and crystal structure","European Journal of Mineralogy","2013","25","","1005","1016","","","","","","","","","","","","","","","","","","","","","","has coordinates","294031","2024-08-07","17:26:35",""
"9017913","8.935","","11.631","","6.661","","95.58","","90.28","","97.28","","683.293","","","","","","","","","","","","not given","4","P -1","-P 1","2","","","Amarantite","- Fe H7 O8 S -","- Fe H7 O8 S -","- Fe4 H28 O32 S4 -","4","2","","Giacovazzo, C.; Menchetti, S.","Sulla struttura della amarantite","Rendiconti della Societa Italiana di Mineralogia e Petrologia","1969","25","","399","406","","","","","","","","","","","","","","","","","","","","","","has coordinates","283658","2023-05-10","17:55:53",""